USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 803 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 902 ASN : amide:sc= 1.02 K(o=2.1,f=-1.3) USER MOD Set 1.2: A 906 GLN : amide:sc= 1.1 K(o=2.1,f=-0.081) USER MOD Set 2.1: A 816 MET CE :methyl -179:sc= -1.65 (180deg=-1.74) USER MOD Set 2.2: A 822 MET CE :methyl 159:sc= -0.157 (180deg=-0.806) USER MOD Set 2.3: A 887 GLN : amide:sc= 0.771 K(o=-1,f=-5.3) USER MOD Set 3.1: A 833 THR OG1 : rot 77:sc= 1.7 USER MOD Set 3.2: A 867 THR OG1 : rot -129:sc= -1.04! USER MOD Set 4.1: A 852 ASN : amide:sc= -0.171 K(o=0.11,f=-4.2!) USER MOD Set 4.2: A 855 LYS NZ :NH3+ 138:sc= 0.282 (180deg=0) USER MOD Single : A 798 TYR OH : rot 77:sc= 0.687 USER MOD Single : A 800 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 802 THR OG1 : rot -79:sc= -1.63! USER MOD Single : A 804 THR OG1 : rot 79:sc= 0.498 USER MOD Single : A 807 THR OG1 : rot 82:sc= 1.27 USER MOD Single : A 809 THR OG1 : rot 72:sc= 1.22 USER MOD Single : A 811 ASN : amide:sc= -1.76! X(o=-1.8!,f=-1.7) USER MOD Single : A 814 SER OG : rot 180:sc= 0 USER MOD Single : A 815 SER OG : rot -50:sc= 1.16 USER MOD Single : A 825 GLN : amide:sc= -0.081 K(o=-0.081,f=-1.1) USER MOD Single : A 831 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 834 SER OG : rot 87:sc= 1.31 USER MOD Single : A 838 ASN : amide:sc= -0.0105 K(o=-0.011,f=-1) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 848 SER OG : rot 180:sc= 0 USER MOD Single : A 853 SER OG : rot -96:sc= 0.691 USER MOD Single : A 858 SER OG : rot 81:sc= 1.17 USER MOD Single : A 861 LYS NZ :NH3+ -165:sc= -0.0265 (180deg=-0.337) USER MOD Single : A 869 LYS NZ :NH3+ 155:sc= 0.0717 (180deg=0.00105) USER MOD Single : A 870 MET CE :methyl 155:sc= -0.44 (180deg=-0.822) USER MOD Single : A 875 LYS NZ :NH3+ -156:sc= 0.88 (180deg=-0.214!) USER MOD Single : A 880 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 883 SER OG : rot -146:sc= -2.42! USER MOD Single : A 886 GLN : amide:sc= -2.05 K(o=-2,f=-0.73) USER MOD Single : A 888 GLN : amide:sc= -0.0245 K(o=-0.025,f=-0.63) USER MOD Single : A 899 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 901 THR OG1 : rot 75:sc= 0.498 USER MOD Single : A 907 ASN : amide:sc= -1.25 X(o=-1.3,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 219 N TYR A 798 11.289 -0.940 -1.073 1.00 0.00 N ATOM 220 CA TYR A 798 9.999 -1.117 -0.418 1.00 0.00 C ATOM 221 C TYR A 798 9.258 -2.285 -1.055 1.00 0.00 C ATOM 222 O TYR A 798 8.077 -2.495 -0.792 1.00 0.00 O ATOM 223 CB TYR A 798 9.125 0.141 -0.547 1.00 0.00 C ATOM 224 CG TYR A 798 9.822 1.453 -0.246 1.00 0.00 C ATOM 225 CD1 TYR A 798 10.740 1.528 0.791 1.00 0.00 C ATOM 226 CD2 TYR A 798 9.573 2.601 -0.986 1.00 0.00 C ATOM 227 CE1 TYR A 798 11.390 2.708 1.087 1.00 0.00 C ATOM 228 CE2 TYR A 798 10.220 3.788 -0.698 1.00 0.00 C ATOM 229 CZ TYR A 798 11.074 3.879 0.274 1.00 0.00 C ATOM 230 OH TYR A 798 11.778 5.005 0.635 1.00 0.00 O ATOM 0 HA TYR A 798 10.188 -1.309 0.638 1.00 0.00 H new ATOM 0 HB2 TYR A 798 8.729 0.184 -1.561 1.00 0.00 H new ATOM 0 HB3 TYR A 798 8.272 0.040 0.124 1.00 0.00 H new ATOM 0 HD1 TYR A 798 10.950 0.646 1.378 1.00 0.00 H new ATOM 0 HD2 TYR A 798 8.863 2.566 -1.799 1.00 0.00 H new ATOM 0 HE1 TYR A 798 12.108 2.764 1.892 1.00 0.00 H new ATOM 0 HE2 TYR A 798 10.009 4.661 -1.297 1.00 0.00 H new ATOM 0 HH TYR A 798 12.694 4.942 0.292 1.00 0.00 H new ATOM 240 N ASP A 799 9.981 -3.065 -1.853 1.00 0.00 N ATOM 241 CA ASP A 799 9.370 -4.068 -2.725 1.00 0.00 C ATOM 242 C ASP A 799 8.734 -5.201 -1.932 1.00 0.00 C ATOM 243 O ASP A 799 7.759 -5.808 -2.376 1.00 0.00 O ATOM 244 CB ASP A 799 10.414 -4.631 -3.694 1.00 0.00 C ATOM 245 CG ASP A 799 9.837 -5.642 -4.663 1.00 0.00 C ATOM 246 OD1 ASP A 799 9.184 -5.225 -5.644 1.00 0.00 O ATOM 247 OD2 ASP A 799 10.012 -6.860 -4.440 1.00 0.00 O ATOM 0 H ASP A 799 10.998 -3.022 -1.915 1.00 0.00 H new ATOM 0 HA ASP A 799 8.578 -3.573 -3.288 1.00 0.00 H new ATOM 0 HB2 ASP A 799 10.860 -3.810 -4.256 1.00 0.00 H new ATOM 0 HB3 ASP A 799 11.216 -5.099 -3.124 1.00 0.00 H new ATOM 252 N GLN A 800 9.270 -5.486 -0.756 1.00 0.00 N ATOM 253 CA GLN A 800 8.698 -6.521 0.090 1.00 0.00 C ATOM 254 C GLN A 800 7.341 -6.071 0.624 1.00 0.00 C ATOM 255 O GLN A 800 6.380 -6.844 0.635 1.00 0.00 O ATOM 256 CB GLN A 800 9.634 -6.862 1.252 1.00 0.00 C ATOM 257 CG GLN A 800 9.104 -7.975 2.138 1.00 0.00 C ATOM 258 CD GLN A 800 9.973 -8.238 3.351 1.00 0.00 C ATOM 259 OE1 GLN A 800 11.192 -8.060 3.314 1.00 0.00 O ATOM 260 NE2 GLN A 800 9.346 -8.651 4.440 1.00 0.00 N ATOM 0 H GLN A 800 10.091 -5.021 -0.369 1.00 0.00 H new ATOM 0 HA GLN A 800 8.565 -7.419 -0.514 1.00 0.00 H new ATOM 0 HB2 GLN A 800 10.606 -7.154 0.854 1.00 0.00 H new ATOM 0 HB3 GLN A 800 9.793 -5.969 1.857 1.00 0.00 H new ATOM 0 HG2 GLN A 800 8.098 -7.719 2.469 1.00 0.00 H new ATOM 0 HG3 GLN A 800 9.024 -8.890 1.552 1.00 0.00 H new ATOM 0 HE21 GLN A 800 8.335 -8.785 4.426 1.00 0.00 H new ATOM 0 HE22 GLN A 800 9.874 -8.835 5.293 1.00 0.00 H new ATOM 269 N ALA A 801 7.264 -4.812 1.039 1.00 0.00 N ATOM 270 CA ALA A 801 6.042 -4.263 1.614 1.00 0.00 C ATOM 271 C ALA A 801 5.011 -3.966 0.532 1.00 0.00 C ATOM 272 O ALA A 801 3.820 -4.237 0.707 1.00 0.00 O ATOM 273 CB ALA A 801 6.348 -3.008 2.413 1.00 0.00 C ATOM 0 H ALA A 801 8.038 -4.149 0.987 1.00 0.00 H new ATOM 0 HA ALA A 801 5.621 -5.011 2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 801 5.425 -2.611 2.835 1.00 0.00 H new ATOM 0 HB2 ALA A 801 7.041 -3.250 3.219 1.00 0.00 H new ATOM 0 HB3 ALA A 801 6.798 -2.261 1.759 1.00 0.00 H new ATOM 279 N THR A 802 5.468 -3.417 -0.588 1.00 0.00 N ATOM 280 CA THR A 802 4.582 -3.097 -1.693 1.00 0.00 C ATOM 281 C THR A 802 3.942 -4.362 -2.243 1.00 0.00 C ATOM 282 O THR A 802 2.727 -4.417 -2.432 1.00 0.00 O ATOM 283 CB THR A 802 5.327 -2.361 -2.823 1.00 0.00 C ATOM 284 OG1 THR A 802 6.539 -3.053 -3.135 1.00 0.00 O ATOM 285 CG2 THR A 802 5.642 -0.928 -2.426 1.00 0.00 C ATOM 0 H THR A 802 6.448 -3.185 -0.751 1.00 0.00 H new ATOM 0 HA THR A 802 3.807 -2.435 -1.308 1.00 0.00 H new ATOM 0 HB THR A 802 4.681 -2.340 -3.701 1.00 0.00 H new ATOM 0 HG1 THR A 802 7.224 -2.827 -2.472 1.00 0.00 H new ATOM 0 HG21 THR A 802 6.168 -0.432 -3.242 1.00 0.00 H new ATOM 0 HG22 THR A 802 4.714 -0.396 -2.216 1.00 0.00 H new ATOM 0 HG23 THR A 802 6.270 -0.927 -1.535 1.00 0.00 H new ATOM 293 N ASP A 803 4.767 -5.382 -2.469 1.00 0.00 N ATOM 294 CA ASP A 803 4.295 -6.678 -2.957 1.00 0.00 C ATOM 295 C ASP A 803 3.123 -7.186 -2.124 1.00 0.00 C ATOM 296 O ASP A 803 2.137 -7.689 -2.664 1.00 0.00 O ATOM 297 CB ASP A 803 5.433 -7.699 -2.923 1.00 0.00 C ATOM 298 CG ASP A 803 4.973 -9.101 -3.259 1.00 0.00 C ATOM 299 OD1 ASP A 803 4.694 -9.369 -4.449 1.00 0.00 O ATOM 300 OD2 ASP A 803 4.874 -9.935 -2.335 1.00 0.00 O ATOM 0 H ASP A 803 5.775 -5.336 -2.321 1.00 0.00 H new ATOM 0 HA ASP A 803 3.955 -6.547 -3.984 1.00 0.00 H new ATOM 0 HB2 ASP A 803 6.207 -7.397 -3.628 1.00 0.00 H new ATOM 0 HB3 ASP A 803 5.886 -7.698 -1.932 1.00 0.00 H new ATOM 305 N THR A 804 3.234 -7.036 -0.812 1.00 0.00 N ATOM 306 CA THR A 804 2.172 -7.430 0.096 1.00 0.00 C ATOM 307 C THR A 804 0.890 -6.651 -0.202 1.00 0.00 C ATOM 308 O THR A 804 -0.168 -7.240 -0.413 1.00 0.00 O ATOM 309 CB THR A 804 2.596 -7.203 1.558 1.00 0.00 C ATOM 310 OG1 THR A 804 3.878 -7.804 1.788 1.00 0.00 O ATOM 311 CG2 THR A 804 1.578 -7.792 2.524 1.00 0.00 C ATOM 0 H THR A 804 4.055 -6.642 -0.353 1.00 0.00 H new ATOM 0 HA THR A 804 1.979 -8.492 -0.052 1.00 0.00 H new ATOM 0 HB THR A 804 2.653 -6.129 1.733 1.00 0.00 H new ATOM 0 HG1 THR A 804 4.581 -7.222 1.430 1.00 0.00 H new ATOM 0 HG21 THR A 804 1.905 -7.616 3.549 1.00 0.00 H new ATOM 0 HG22 THR A 804 0.609 -7.318 2.366 1.00 0.00 H new ATOM 0 HG23 THR A 804 1.490 -8.864 2.350 1.00 0.00 H new ATOM 319 N ILE A 805 1.002 -5.328 -0.256 1.00 0.00 N ATOM 320 CA ILE A 805 -0.152 -4.467 -0.496 1.00 0.00 C ATOM 321 C ILE A 805 -0.773 -4.729 -1.867 1.00 0.00 C ATOM 322 O ILE A 805 -1.979 -4.958 -1.970 1.00 0.00 O ATOM 323 CB ILE A 805 0.216 -2.974 -0.377 1.00 0.00 C ATOM 324 CG1 ILE A 805 0.666 -2.648 1.049 1.00 0.00 C ATOM 325 CG2 ILE A 805 -0.964 -2.100 -0.785 1.00 0.00 C ATOM 326 CD1 ILE A 805 1.047 -1.200 1.251 1.00 0.00 C ATOM 0 H ILE A 805 1.882 -4.827 -0.137 1.00 0.00 H new ATOM 0 HA ILE A 805 -0.884 -4.710 0.275 1.00 0.00 H new ATOM 0 HB ILE A 805 1.045 -2.765 -1.054 1.00 0.00 H new ATOM 0 HG12 ILE A 805 -0.137 -2.903 1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 805 1.518 -3.278 1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 805 -0.687 -1.050 -0.695 1.00 0.00 H new ATOM 0 HG22 ILE A 805 -1.237 -2.316 -1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 805 -1.813 -2.308 -0.134 1.00 0.00 H new ATOM 0 HD11 ILE A 805 1.355 -1.046 2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 805 1.871 -0.944 0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 805 0.190 -0.564 1.029 1.00 0.00 H new ATOM 338 N LEU A 806 0.054 -4.706 -2.916 1.00 0.00 N ATOM 339 CA LEU A 806 -0.427 -4.916 -4.283 1.00 0.00 C ATOM 340 C LEU A 806 -1.223 -6.215 -4.394 1.00 0.00 C ATOM 341 O LEU A 806 -2.259 -6.261 -5.056 1.00 0.00 O ATOM 342 CB LEU A 806 0.733 -4.944 -5.293 1.00 0.00 C ATOM 343 CG LEU A 806 1.194 -3.580 -5.837 1.00 0.00 C ATOM 344 CD1 LEU A 806 0.005 -2.711 -6.195 1.00 0.00 C ATOM 345 CD2 LEU A 806 2.096 -2.863 -4.851 1.00 0.00 C ATOM 0 H LEU A 806 1.059 -4.544 -2.844 1.00 0.00 H new ATOM 0 HA LEU A 806 -1.078 -4.075 -4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 806 1.586 -5.431 -4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 806 0.437 -5.567 -6.137 1.00 0.00 H new ATOM 0 HG LEU A 806 1.771 -3.769 -6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 806 0.357 -1.753 -6.577 1.00 0.00 H new ATOM 0 HD12 LEU A 806 -0.593 -3.209 -6.959 1.00 0.00 H new ATOM 0 HD13 LEU A 806 -0.605 -2.546 -5.307 1.00 0.00 H new ATOM 0 HD21 LEU A 806 2.402 -1.904 -5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 806 1.557 -2.697 -3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 806 2.979 -3.472 -4.656 1.00 0.00 H new ATOM 357 N THR A 807 -0.745 -7.257 -3.730 1.00 0.00 N ATOM 358 CA THR A 807 -1.384 -8.564 -3.799 1.00 0.00 C ATOM 359 C THR A 807 -2.660 -8.613 -2.952 1.00 0.00 C ATOM 360 O THR A 807 -3.710 -9.045 -3.429 1.00 0.00 O ATOM 361 CB THR A 807 -0.415 -9.675 -3.348 1.00 0.00 C ATOM 362 OG1 THR A 807 0.826 -9.551 -4.054 1.00 0.00 O ATOM 363 CG2 THR A 807 -1.005 -11.053 -3.612 1.00 0.00 C ATOM 0 H THR A 807 0.084 -7.223 -3.137 1.00 0.00 H new ATOM 0 HA THR A 807 -1.658 -8.733 -4.840 1.00 0.00 H new ATOM 0 HB THR A 807 -0.247 -9.565 -2.277 1.00 0.00 H new ATOM 0 HG1 THR A 807 1.380 -8.867 -3.624 1.00 0.00 H new ATOM 0 HG21 THR A 807 -0.302 -11.819 -3.285 1.00 0.00 H new ATOM 0 HG22 THR A 807 -1.940 -11.160 -3.062 1.00 0.00 H new ATOM 0 HG23 THR A 807 -1.197 -11.168 -4.679 1.00 0.00 H new ATOM 371 N VAL A 808 -2.570 -8.158 -1.703 1.00 0.00 N ATOM 372 CA VAL A 808 -3.706 -8.216 -0.784 1.00 0.00 C ATOM 373 C VAL A 808 -4.862 -7.346 -1.278 1.00 0.00 C ATOM 374 O VAL A 808 -6.027 -7.673 -1.053 1.00 0.00 O ATOM 375 CB VAL A 808 -3.310 -7.798 0.653 1.00 0.00 C ATOM 376 CG1 VAL A 808 -4.522 -7.771 1.572 1.00 0.00 C ATOM 377 CG2 VAL A 808 -2.257 -8.743 1.211 1.00 0.00 C ATOM 0 H VAL A 808 -1.726 -7.747 -1.305 1.00 0.00 H new ATOM 0 HA VAL A 808 -4.033 -9.255 -0.756 1.00 0.00 H new ATOM 0 HB VAL A 808 -2.895 -6.791 0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 808 -4.212 -7.474 2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 808 -5.252 -7.056 1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 808 -4.972 -8.763 1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 808 -1.990 -8.434 2.222 1.00 0.00 H new ATOM 0 HG22 VAL A 808 -2.654 -9.758 1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 808 -1.371 -8.715 0.577 1.00 0.00 H new ATOM 387 N THR A 809 -4.537 -6.262 -1.976 1.00 0.00 N ATOM 388 CA THR A 809 -5.551 -5.370 -2.535 1.00 0.00 C ATOM 389 C THR A 809 -6.568 -6.138 -3.376 1.00 0.00 C ATOM 390 O THR A 809 -7.780 -5.975 -3.215 1.00 0.00 O ATOM 391 CB THR A 809 -4.910 -4.280 -3.411 1.00 0.00 C ATOM 392 OG1 THR A 809 -4.071 -3.434 -2.613 1.00 0.00 O ATOM 393 CG2 THR A 809 -5.981 -3.451 -4.099 1.00 0.00 C ATOM 0 H THR A 809 -3.576 -5.978 -2.169 1.00 0.00 H new ATOM 0 HA THR A 809 -6.060 -4.906 -1.690 1.00 0.00 H new ATOM 0 HB THR A 809 -4.301 -4.764 -4.174 1.00 0.00 H new ATOM 0 HG1 THR A 809 -3.259 -3.922 -2.362 1.00 0.00 H new ATOM 0 HG21 THR A 809 -5.509 -2.685 -4.714 1.00 0.00 H new ATOM 0 HG22 THR A 809 -6.592 -4.097 -4.729 1.00 0.00 H new ATOM 0 HG23 THR A 809 -6.611 -2.975 -3.348 1.00 0.00 H new ATOM 401 N GLU A 810 -6.065 -6.994 -4.257 1.00 0.00 N ATOM 402 CA GLU A 810 -6.914 -7.771 -5.148 1.00 0.00 C ATOM 403 C GLU A 810 -7.822 -8.700 -4.352 1.00 0.00 C ATOM 404 O GLU A 810 -8.910 -9.063 -4.804 1.00 0.00 O ATOM 405 CB GLU A 810 -6.058 -8.593 -6.115 1.00 0.00 C ATOM 406 CG GLU A 810 -5.125 -7.756 -6.973 1.00 0.00 C ATOM 407 CD GLU A 810 -5.862 -6.767 -7.852 1.00 0.00 C ATOM 408 OE1 GLU A 810 -6.706 -7.199 -8.661 1.00 0.00 O ATOM 409 OE2 GLU A 810 -5.608 -5.548 -7.731 1.00 0.00 O ATOM 0 H GLU A 810 -5.067 -7.167 -4.373 1.00 0.00 H new ATOM 0 HA GLU A 810 -7.533 -7.077 -5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 810 -5.467 -9.308 -5.543 1.00 0.00 H new ATOM 0 HB3 GLU A 810 -6.715 -9.170 -6.766 1.00 0.00 H new ATOM 0 HG2 GLU A 810 -4.433 -7.215 -6.327 1.00 0.00 H new ATOM 0 HG3 GLU A 810 -4.526 -8.416 -7.600 1.00 0.00 H new ATOM 416 N ASN A 811 -7.379 -9.064 -3.154 1.00 0.00 N ATOM 417 CA ASN A 811 -8.066 -10.071 -2.363 1.00 0.00 C ATOM 418 C ASN A 811 -9.382 -9.564 -1.794 1.00 0.00 C ATOM 419 O ASN A 811 -10.270 -10.358 -1.501 1.00 0.00 O ATOM 420 CB ASN A 811 -7.176 -10.595 -1.229 1.00 0.00 C ATOM 421 CG ASN A 811 -5.928 -11.288 -1.737 1.00 0.00 C ATOM 422 OD1 ASN A 811 -5.893 -11.790 -2.863 1.00 0.00 O ATOM 423 ND2 ASN A 811 -4.901 -11.347 -0.902 1.00 0.00 N ATOM 0 H ASN A 811 -6.546 -8.675 -2.711 1.00 0.00 H new ATOM 0 HA ASN A 811 -8.291 -10.891 -3.045 1.00 0.00 H new ATOM 0 HB2 ASN A 811 -6.888 -9.764 -0.585 1.00 0.00 H new ATOM 0 HB3 ASN A 811 -7.748 -11.291 -0.615 1.00 0.00 H new ATOM 0 HD21 ASN A 811 -4.042 -11.820 -1.183 1.00 0.00 H new ATOM 0 HD22 ASN A 811 -4.969 -10.919 0.021 1.00 0.00 H new ATOM 430 N ILE A 812 -9.525 -8.250 -1.645 1.00 0.00 N ATOM 431 CA ILE A 812 -10.782 -7.686 -1.151 1.00 0.00 C ATOM 432 C ILE A 812 -11.917 -8.021 -2.115 1.00 0.00 C ATOM 433 O ILE A 812 -13.036 -8.328 -1.702 1.00 0.00 O ATOM 434 CB ILE A 812 -10.710 -6.150 -0.939 1.00 0.00 C ATOM 435 CG1 ILE A 812 -9.832 -5.800 0.265 1.00 0.00 C ATOM 436 CG2 ILE A 812 -12.103 -5.560 -0.747 1.00 0.00 C ATOM 437 CD1 ILE A 812 -8.347 -5.904 0.002 1.00 0.00 C ATOM 0 H ILE A 812 -8.800 -7.564 -1.855 1.00 0.00 H new ATOM 0 HA ILE A 812 -10.971 -8.136 -0.177 1.00 0.00 H new ATOM 0 HB ILE A 812 -10.264 -5.718 -1.835 1.00 0.00 H new ATOM 0 HG12 ILE A 812 -10.062 -4.784 0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 812 -10.090 -6.461 1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 812 -12.025 -4.483 -0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 812 -12.709 -5.763 -1.630 1.00 0.00 H new ATOM 0 HG23 ILE A 812 -12.572 -6.012 0.127 1.00 0.00 H new ATOM 0 HD11 ILE A 812 -7.798 -5.639 0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 812 -8.099 -6.925 -0.287 1.00 0.00 H new ATOM 0 HD13 ILE A 812 -8.071 -5.222 -0.803 1.00 0.00 H new ATOM 449 N PHE A 813 -11.608 -7.990 -3.404 1.00 0.00 N ATOM 450 CA PHE A 813 -12.582 -8.326 -4.431 1.00 0.00 C ATOM 451 C PHE A 813 -12.857 -9.824 -4.439 1.00 0.00 C ATOM 452 O PHE A 813 -13.932 -10.269 -4.833 1.00 0.00 O ATOM 453 CB PHE A 813 -12.094 -7.861 -5.803 1.00 0.00 C ATOM 454 CG PHE A 813 -11.956 -6.370 -5.913 1.00 0.00 C ATOM 455 CD1 PHE A 813 -13.059 -5.581 -6.197 1.00 0.00 C ATOM 456 CD2 PHE A 813 -10.725 -5.756 -5.736 1.00 0.00 C ATOM 457 CE1 PHE A 813 -12.938 -4.208 -6.302 1.00 0.00 C ATOM 458 CE2 PHE A 813 -10.599 -4.385 -5.841 1.00 0.00 C ATOM 459 CZ PHE A 813 -11.707 -3.610 -6.125 1.00 0.00 C ATOM 0 H PHE A 813 -10.688 -7.735 -3.763 1.00 0.00 H new ATOM 0 HA PHE A 813 -13.514 -7.809 -4.204 1.00 0.00 H new ATOM 0 HB2 PHE A 813 -11.130 -8.324 -6.014 1.00 0.00 H new ATOM 0 HB3 PHE A 813 -12.789 -8.211 -6.566 1.00 0.00 H new ATOM 0 HD1 PHE A 813 -14.024 -6.044 -6.338 1.00 0.00 H new ATOM 0 HD2 PHE A 813 -9.856 -6.357 -5.514 1.00 0.00 H new ATOM 0 HE1 PHE A 813 -13.806 -3.604 -6.522 1.00 0.00 H new ATOM 0 HE2 PHE A 813 -9.635 -3.919 -5.701 1.00 0.00 H new ATOM 0 HZ PHE A 813 -11.610 -2.538 -6.208 1.00 0.00 H new ATOM 469 N SER A 814 -11.877 -10.601 -4.004 1.00 0.00 N ATOM 470 CA SER A 814 -12.035 -12.043 -3.896 1.00 0.00 C ATOM 471 C SER A 814 -12.880 -12.395 -2.668 1.00 0.00 C ATOM 472 O SER A 814 -13.566 -13.418 -2.635 1.00 0.00 O ATOM 473 CB SER A 814 -10.659 -12.702 -3.807 1.00 0.00 C ATOM 474 OG SER A 814 -9.799 -12.221 -4.830 1.00 0.00 O ATOM 0 H SER A 814 -10.961 -10.255 -3.719 1.00 0.00 H new ATOM 0 HA SER A 814 -12.550 -12.415 -4.781 1.00 0.00 H new ATOM 0 HB2 SER A 814 -10.218 -12.501 -2.831 1.00 0.00 H new ATOM 0 HB3 SER A 814 -10.763 -13.784 -3.893 1.00 0.00 H new ATOM 0 HG SER A 814 -8.924 -12.655 -4.753 1.00 0.00 H new ATOM 480 N SER A 815 -12.829 -11.530 -1.663 1.00 0.00 N ATOM 481 CA SER A 815 -13.601 -11.711 -0.441 1.00 0.00 C ATOM 482 C SER A 815 -15.033 -11.213 -0.604 1.00 0.00 C ATOM 483 O SER A 815 -15.844 -11.339 0.313 1.00 0.00 O ATOM 484 CB SER A 815 -12.917 -10.992 0.721 1.00 0.00 C ATOM 485 OG SER A 815 -11.660 -11.579 1.003 1.00 0.00 O ATOM 0 H SER A 815 -12.254 -10.687 -1.672 1.00 0.00 H new ATOM 0 HA SER A 815 -13.646 -12.779 -0.226 1.00 0.00 H new ATOM 0 HB2 SER A 815 -12.785 -9.938 0.476 1.00 0.00 H new ATOM 0 HB3 SER A 815 -13.551 -11.036 1.606 1.00 0.00 H new ATOM 0 HG SER A 815 -11.765 -12.549 1.094 1.00 0.00 H new ATOM 491 N MET A 816 -15.329 -10.644 -1.772 1.00 0.00 N ATOM 492 CA MET A 816 -16.675 -10.167 -2.087 1.00 0.00 C ATOM 493 C MET A 816 -17.719 -11.229 -1.758 1.00 0.00 C ATOM 494 O MET A 816 -17.593 -12.385 -2.173 1.00 0.00 O ATOM 495 CB MET A 816 -16.779 -9.792 -3.562 1.00 0.00 C ATOM 496 CG MET A 816 -16.338 -8.375 -3.854 1.00 0.00 C ATOM 497 SD MET A 816 -17.395 -7.157 -3.057 1.00 0.00 S ATOM 498 CE MET A 816 -16.527 -5.661 -3.498 1.00 0.00 C ATOM 0 H MET A 816 -14.650 -10.502 -2.520 1.00 0.00 H new ATOM 0 HA MET A 816 -16.866 -9.284 -1.478 1.00 0.00 H new ATOM 0 HB2 MET A 816 -16.172 -10.482 -4.148 1.00 0.00 H new ATOM 0 HB3 MET A 816 -17.811 -9.918 -3.890 1.00 0.00 H new ATOM 0 HG2 MET A 816 -15.311 -8.239 -3.516 1.00 0.00 H new ATOM 0 HG3 MET A 816 -16.344 -8.209 -4.931 1.00 0.00 H new ATOM 0 HE1 MET A 816 -17.040 -4.802 -3.066 1.00 0.00 H new ATOM 0 HE2 MET A 816 -15.508 -5.705 -3.114 1.00 0.00 H new ATOM 0 HE3 MET A 816 -16.502 -5.561 -4.583 1.00 0.00 H new ATOM 508 N GLY A 817 -18.732 -10.841 -1.006 1.00 0.00 N ATOM 509 CA GLY A 817 -19.748 -11.783 -0.588 1.00 0.00 C ATOM 510 C GLY A 817 -19.812 -11.892 0.917 1.00 0.00 C ATOM 511 O GLY A 817 -20.878 -11.744 1.516 1.00 0.00 O ATOM 0 H GLY A 817 -18.871 -9.886 -0.675 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -20.718 -11.469 -0.973 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -19.537 -12.763 -1.017 1.00 0.00 H new ATOM 515 N ASP A 818 -18.662 -12.136 1.531 1.00 0.00 N ATOM 516 CA ASP A 818 -18.574 -12.189 2.984 1.00 0.00 C ATOM 517 C ASP A 818 -17.998 -10.889 3.514 1.00 0.00 C ATOM 518 O ASP A 818 -16.828 -10.575 3.288 1.00 0.00 O ATOM 519 CB ASP A 818 -17.723 -13.368 3.453 1.00 0.00 C ATOM 520 CG ASP A 818 -17.628 -13.424 4.965 1.00 0.00 C ATOM 521 OD1 ASP A 818 -18.665 -13.631 5.627 1.00 0.00 O ATOM 522 OD2 ASP A 818 -16.511 -13.280 5.502 1.00 0.00 O ATOM 0 H ASP A 818 -17.779 -12.300 1.047 1.00 0.00 H new ATOM 0 HA ASP A 818 -19.581 -12.329 3.376 1.00 0.00 H new ATOM 0 HB2 ASP A 818 -18.153 -14.298 3.081 1.00 0.00 H new ATOM 0 HB3 ASP A 818 -16.723 -13.287 3.028 1.00 0.00 H new ATOM 527 N ALA A 819 -18.826 -10.146 4.230 1.00 0.00 N ATOM 528 CA ALA A 819 -18.466 -8.817 4.695 1.00 0.00 C ATOM 529 C ALA A 819 -17.295 -8.863 5.672 1.00 0.00 C ATOM 530 O ALA A 819 -16.336 -8.099 5.542 1.00 0.00 O ATOM 531 CB ALA A 819 -19.675 -8.156 5.335 1.00 0.00 C ATOM 0 H ALA A 819 -19.762 -10.445 4.504 1.00 0.00 H new ATOM 0 HA ALA A 819 -18.146 -8.227 3.836 1.00 0.00 H new ATOM 0 HB1 ALA A 819 -19.403 -7.160 5.683 1.00 0.00 H new ATOM 0 HB2 ALA A 819 -20.478 -8.078 4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 819 -20.013 -8.756 6.180 1.00 0.00 H new ATOM 537 N GLY A 820 -17.382 -9.761 6.642 1.00 0.00 N ATOM 538 CA GLY A 820 -16.327 -9.919 7.626 1.00 0.00 C ATOM 539 C GLY A 820 -14.948 -10.121 7.017 1.00 0.00 C ATOM 540 O GLY A 820 -13.976 -9.508 7.461 1.00 0.00 O ATOM 0 H GLY A 820 -18.174 -10.391 6.767 1.00 0.00 H new ATOM 0 HA2 GLY A 820 -16.306 -9.038 8.267 1.00 0.00 H new ATOM 0 HA3 GLY A 820 -16.561 -10.772 8.263 1.00 0.00 H new ATOM 544 N GLU A 821 -14.854 -10.979 6.004 1.00 0.00 N ATOM 545 CA GLU A 821 -13.570 -11.273 5.376 1.00 0.00 C ATOM 546 C GLU A 821 -13.038 -10.056 4.622 1.00 0.00 C ATOM 547 O GLU A 821 -11.836 -9.793 4.628 1.00 0.00 O ATOM 548 CB GLU A 821 -13.686 -12.470 4.427 1.00 0.00 C ATOM 549 CG GLU A 821 -12.343 -12.990 3.943 1.00 0.00 C ATOM 550 CD GLU A 821 -12.471 -14.193 3.033 1.00 0.00 C ATOM 551 OE1 GLU A 821 -12.691 -15.310 3.545 1.00 0.00 O ATOM 552 OE2 GLU A 821 -12.373 -14.023 1.798 1.00 0.00 O ATOM 0 H GLU A 821 -15.647 -11.480 5.603 1.00 0.00 H new ATOM 0 HA GLU A 821 -12.865 -11.525 6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -14.218 -13.275 4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -14.288 -12.183 3.565 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -11.820 -12.194 3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -11.730 -13.256 4.804 1.00 0.00 H new ATOM 559 N MET A 822 -13.941 -9.310 3.988 1.00 0.00 N ATOM 560 CA MET A 822 -13.565 -8.102 3.252 1.00 0.00 C ATOM 561 C MET A 822 -12.881 -7.104 4.178 1.00 0.00 C ATOM 562 O MET A 822 -11.840 -6.535 3.843 1.00 0.00 O ATOM 563 CB MET A 822 -14.792 -7.443 2.617 1.00 0.00 C ATOM 564 CG MET A 822 -15.482 -8.294 1.564 1.00 0.00 C ATOM 565 SD MET A 822 -16.932 -7.479 0.858 1.00 0.00 S ATOM 566 CE MET A 822 -16.179 -6.010 0.160 1.00 0.00 C ATOM 0 H MET A 822 -14.939 -9.520 3.969 1.00 0.00 H new ATOM 0 HA MET A 822 -12.874 -8.397 2.463 1.00 0.00 H new ATOM 0 HB2 MET A 822 -15.509 -7.204 3.402 1.00 0.00 H new ATOM 0 HB3 MET A 822 -14.490 -6.499 2.164 1.00 0.00 H new ATOM 0 HG2 MET A 822 -14.775 -8.525 0.767 1.00 0.00 H new ATOM 0 HG3 MET A 822 -15.783 -9.243 2.008 1.00 0.00 H new ATOM 0 HE1 MET A 822 -16.831 -5.598 -0.610 1.00 0.00 H new ATOM 0 HE2 MET A 822 -16.031 -5.269 0.945 1.00 0.00 H new ATOM 0 HE3 MET A 822 -15.216 -6.269 -0.280 1.00 0.00 H new ATOM 576 N VAL A 823 -13.470 -6.908 5.350 1.00 0.00 N ATOM 577 CA VAL A 823 -12.933 -5.981 6.336 1.00 0.00 C ATOM 578 C VAL A 823 -11.585 -6.471 6.861 1.00 0.00 C ATOM 579 O VAL A 823 -10.690 -5.672 7.148 1.00 0.00 O ATOM 580 CB VAL A 823 -13.918 -5.785 7.511 1.00 0.00 C ATOM 581 CG1 VAL A 823 -13.351 -4.827 8.549 1.00 0.00 C ATOM 582 CG2 VAL A 823 -15.259 -5.280 6.994 1.00 0.00 C ATOM 0 H VAL A 823 -14.325 -7.382 5.642 1.00 0.00 H new ATOM 0 HA VAL A 823 -12.790 -5.020 5.842 1.00 0.00 H new ATOM 0 HB VAL A 823 -14.068 -6.750 7.994 1.00 0.00 H new ATOM 0 HG11 VAL A 823 -14.066 -4.708 9.363 1.00 0.00 H new ATOM 0 HG12 VAL A 823 -12.416 -5.228 8.942 1.00 0.00 H new ATOM 0 HG13 VAL A 823 -13.164 -3.858 8.086 1.00 0.00 H new ATOM 0 HG21 VAL A 823 -15.944 -5.146 7.831 1.00 0.00 H new ATOM 0 HG22 VAL A 823 -15.117 -4.327 6.485 1.00 0.00 H new ATOM 0 HG23 VAL A 823 -15.676 -6.006 6.296 1.00 0.00 H new ATOM 592 N ARG A 824 -11.430 -7.790 6.961 1.00 0.00 N ATOM 593 CA ARG A 824 -10.175 -8.375 7.419 1.00 0.00 C ATOM 594 C ARG A 824 -9.047 -8.011 6.459 1.00 0.00 C ATOM 595 O ARG A 824 -7.951 -7.648 6.885 1.00 0.00 O ATOM 596 CB ARG A 824 -10.290 -9.898 7.538 1.00 0.00 C ATOM 597 CG ARG A 824 -9.129 -10.534 8.286 1.00 0.00 C ATOM 598 CD ARG A 824 -9.267 -12.047 8.371 1.00 0.00 C ATOM 599 NE ARG A 824 -8.883 -12.716 7.125 1.00 0.00 N ATOM 600 CZ ARG A 824 -9.563 -13.724 6.575 1.00 0.00 C ATOM 601 NH1 ARG A 824 -10.699 -14.143 7.122 1.00 0.00 N ATOM 602 NH2 ARG A 824 -9.107 -14.311 5.476 1.00 0.00 N ATOM 0 H ARG A 824 -12.155 -8.470 6.732 1.00 0.00 H new ATOM 0 HA ARG A 824 -9.951 -7.971 8.406 1.00 0.00 H new ATOM 0 HB2 ARG A 824 -11.221 -10.146 8.048 1.00 0.00 H new ATOM 0 HB3 ARG A 824 -10.349 -10.330 6.539 1.00 0.00 H new ATOM 0 HG2 ARG A 824 -8.194 -10.283 7.785 1.00 0.00 H new ATOM 0 HG3 ARG A 824 -9.074 -10.118 9.292 1.00 0.00 H new ATOM 0 HD2 ARG A 824 -8.647 -12.420 9.186 1.00 0.00 H new ATOM 0 HD3 ARG A 824 -10.299 -12.302 8.613 1.00 0.00 H new ATOM 0 HE ARG A 824 -8.042 -12.390 6.648 1.00 0.00 H new ATOM 0 HH11 ARG A 824 -11.055 -13.694 7.966 1.00 0.00 H new ATOM 0 HH12 ARG A 824 -11.215 -14.914 6.698 1.00 0.00 H new ATOM 0 HH21 ARG A 824 -8.236 -13.992 5.051 1.00 0.00 H new ATOM 0 HH22 ARG A 824 -9.627 -15.081 5.056 1.00 0.00 H new ATOM 616 N GLN A 825 -9.337 -8.083 5.162 1.00 0.00 N ATOM 617 CA GLN A 825 -8.357 -7.750 4.131 1.00 0.00 C ATOM 618 C GLN A 825 -7.928 -6.289 4.247 1.00 0.00 C ATOM 619 O GLN A 825 -6.744 -5.964 4.144 1.00 0.00 O ATOM 620 CB GLN A 825 -8.933 -7.998 2.737 1.00 0.00 C ATOM 621 CG GLN A 825 -9.423 -9.418 2.505 1.00 0.00 C ATOM 622 CD GLN A 825 -8.340 -10.459 2.706 1.00 0.00 C ATOM 623 OE1 GLN A 825 -7.155 -10.200 2.493 1.00 0.00 O ATOM 624 NE2 GLN A 825 -8.747 -11.651 3.108 1.00 0.00 N ATOM 0 H GLN A 825 -10.246 -8.370 4.799 1.00 0.00 H new ATOM 0 HA GLN A 825 -7.488 -8.392 4.279 1.00 0.00 H new ATOM 0 HB2 GLN A 825 -9.761 -7.309 2.571 1.00 0.00 H new ATOM 0 HB3 GLN A 825 -8.170 -7.764 1.995 1.00 0.00 H new ATOM 0 HG2 GLN A 825 -10.250 -9.626 3.184 1.00 0.00 H new ATOM 0 HG3 GLN A 825 -9.814 -9.500 1.491 1.00 0.00 H new ATOM 0 HE21 GLN A 825 -9.739 -11.822 3.273 1.00 0.00 H new ATOM 0 HE22 GLN A 825 -8.069 -12.399 3.253 1.00 0.00 H new ATOM 633 N ALA A 826 -8.904 -5.413 4.464 1.00 0.00 N ATOM 634 CA ALA A 826 -8.639 -3.990 4.630 1.00 0.00 C ATOM 635 C ALA A 826 -7.725 -3.739 5.825 1.00 0.00 C ATOM 636 O ALA A 826 -6.838 -2.887 5.772 1.00 0.00 O ATOM 637 CB ALA A 826 -9.942 -3.225 4.791 1.00 0.00 C ATOM 0 H ALA A 826 -9.890 -5.666 4.529 1.00 0.00 H new ATOM 0 HA ALA A 826 -8.131 -3.633 3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 826 -9.728 -2.163 4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 826 -10.561 -3.370 3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 826 -10.473 -3.592 5.669 1.00 0.00 H new ATOM 643 N ARG A 827 -7.942 -4.493 6.898 1.00 0.00 N ATOM 644 CA ARG A 827 -7.115 -4.380 8.093 1.00 0.00 C ATOM 645 C ARG A 827 -5.677 -4.787 7.789 1.00 0.00 C ATOM 646 O ARG A 827 -4.729 -4.214 8.331 1.00 0.00 O ATOM 647 CB ARG A 827 -7.679 -5.242 9.223 1.00 0.00 C ATOM 648 CG ARG A 827 -9.024 -4.762 9.741 1.00 0.00 C ATOM 649 CD ARG A 827 -9.568 -5.678 10.824 1.00 0.00 C ATOM 650 NE ARG A 827 -8.642 -5.810 11.948 1.00 0.00 N ATOM 651 CZ ARG A 827 -8.993 -6.246 13.155 1.00 0.00 C ATOM 652 NH1 ARG A 827 -10.254 -6.575 13.410 1.00 0.00 N ATOM 653 NH2 ARG A 827 -8.078 -6.355 14.107 1.00 0.00 N ATOM 0 H ARG A 827 -8.684 -5.189 6.964 1.00 0.00 H new ATOM 0 HA ARG A 827 -7.123 -3.338 8.414 1.00 0.00 H new ATOM 0 HB2 ARG A 827 -7.780 -6.268 8.870 1.00 0.00 H new ATOM 0 HB3 ARG A 827 -6.966 -5.257 10.047 1.00 0.00 H new ATOM 0 HG2 ARG A 827 -8.922 -3.751 10.136 1.00 0.00 H new ATOM 0 HG3 ARG A 827 -9.735 -4.711 8.916 1.00 0.00 H new ATOM 0 HD2 ARG A 827 -10.520 -5.288 11.183 1.00 0.00 H new ATOM 0 HD3 ARG A 827 -9.766 -6.663 10.400 1.00 0.00 H new ATOM 0 HE ARG A 827 -7.667 -5.552 11.797 1.00 0.00 H new ATOM 0 HH11 ARG A 827 -10.960 -6.494 12.678 1.00 0.00 H new ATOM 0 HH12 ARG A 827 -10.516 -6.909 14.337 1.00 0.00 H new ATOM 0 HH21 ARG A 827 -7.108 -6.105 13.913 1.00 0.00 H new ATOM 0 HH22 ARG A 827 -8.343 -6.689 15.034 1.00 0.00 H new ATOM 667 N ILE A 828 -5.526 -5.772 6.914 1.00 0.00 N ATOM 668 CA ILE A 828 -4.209 -6.208 6.469 1.00 0.00 C ATOM 669 C ILE A 828 -3.520 -5.084 5.702 1.00 0.00 C ATOM 670 O ILE A 828 -2.359 -4.760 5.960 1.00 0.00 O ATOM 671 CB ILE A 828 -4.302 -7.459 5.566 1.00 0.00 C ATOM 672 CG1 ILE A 828 -5.025 -8.586 6.304 1.00 0.00 C ATOM 673 CG2 ILE A 828 -2.913 -7.910 5.128 1.00 0.00 C ATOM 674 CD1 ILE A 828 -5.301 -9.798 5.443 1.00 0.00 C ATOM 0 H ILE A 828 -6.302 -6.286 6.497 1.00 0.00 H new ATOM 0 HA ILE A 828 -3.628 -6.465 7.355 1.00 0.00 H new ATOM 0 HB ILE A 828 -4.873 -7.203 4.673 1.00 0.00 H new ATOM 0 HG12 ILE A 828 -4.425 -8.890 7.162 1.00 0.00 H new ATOM 0 HG13 ILE A 828 -5.969 -8.206 6.694 1.00 0.00 H new ATOM 0 HG21 ILE A 828 -3.000 -8.792 4.493 1.00 0.00 H new ATOM 0 HG22 ILE A 828 -2.429 -7.108 4.571 1.00 0.00 H new ATOM 0 HG23 ILE A 828 -2.315 -8.153 6.007 1.00 0.00 H new ATOM 0 HD11 ILE A 828 -5.816 -10.555 6.035 1.00 0.00 H new ATOM 0 HD12 ILE A 828 -5.927 -9.510 4.599 1.00 0.00 H new ATOM 0 HD13 ILE A 828 -4.359 -10.204 5.074 1.00 0.00 H new ATOM 686 N LEU A 829 -4.254 -4.478 4.773 1.00 0.00 N ATOM 687 CA LEU A 829 -3.734 -3.367 3.985 1.00 0.00 C ATOM 688 C LEU A 829 -3.334 -2.200 4.877 1.00 0.00 C ATOM 689 O LEU A 829 -2.331 -1.537 4.623 1.00 0.00 O ATOM 690 CB LEU A 829 -4.764 -2.896 2.956 1.00 0.00 C ATOM 691 CG LEU A 829 -5.034 -3.870 1.811 1.00 0.00 C ATOM 692 CD1 LEU A 829 -6.089 -3.303 0.876 1.00 0.00 C ATOM 693 CD2 LEU A 829 -3.751 -4.165 1.047 1.00 0.00 C ATOM 0 H LEU A 829 -5.214 -4.739 4.548 1.00 0.00 H new ATOM 0 HA LEU A 829 -2.849 -3.727 3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 829 -5.704 -2.697 3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 829 -4.425 -1.950 2.534 1.00 0.00 H new ATOM 0 HG LEU A 829 -5.406 -4.804 2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 829 -6.272 -4.007 0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 829 -7.014 -3.138 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 829 -5.739 -2.357 0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 829 -3.963 -4.861 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 829 -3.351 -3.238 0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 829 -3.019 -4.608 1.722 1.00 0.00 H new ATOM 705 N ALA A 830 -4.120 -1.958 5.920 1.00 0.00 N ATOM 706 CA ALA A 830 -3.833 -0.885 6.862 1.00 0.00 C ATOM 707 C ALA A 830 -2.476 -1.095 7.526 1.00 0.00 C ATOM 708 O ALA A 830 -1.652 -0.181 7.579 1.00 0.00 O ATOM 709 CB ALA A 830 -4.928 -0.794 7.913 1.00 0.00 C ATOM 0 H ALA A 830 -4.962 -2.492 6.134 1.00 0.00 H new ATOM 0 HA ALA A 830 -3.801 0.054 6.309 1.00 0.00 H new ATOM 0 HB1 ALA A 830 -4.698 0.013 8.609 1.00 0.00 H new ATOM 0 HB2 ALA A 830 -5.883 -0.593 7.427 1.00 0.00 H new ATOM 0 HB3 ALA A 830 -4.989 -1.736 8.457 1.00 0.00 H new ATOM 715 N GLN A 831 -2.243 -2.309 8.007 1.00 0.00 N ATOM 716 CA GLN A 831 -0.986 -2.646 8.664 1.00 0.00 C ATOM 717 C GLN A 831 0.171 -2.570 7.672 1.00 0.00 C ATOM 718 O GLN A 831 1.206 -1.963 7.951 1.00 0.00 O ATOM 719 CB GLN A 831 -1.064 -4.048 9.267 1.00 0.00 C ATOM 720 CG GLN A 831 0.169 -4.440 10.063 1.00 0.00 C ATOM 721 CD GLN A 831 0.086 -5.855 10.596 1.00 0.00 C ATOM 722 OE1 GLN A 831 -1.002 -6.372 10.850 1.00 0.00 O ATOM 723 NE2 GLN A 831 1.232 -6.493 10.767 1.00 0.00 N ATOM 0 H GLN A 831 -2.910 -3.079 7.954 1.00 0.00 H new ATOM 0 HA GLN A 831 -0.811 -1.926 9.463 1.00 0.00 H new ATOM 0 HB2 GLN A 831 -1.938 -4.107 9.916 1.00 0.00 H new ATOM 0 HB3 GLN A 831 -1.213 -4.771 8.465 1.00 0.00 H new ATOM 0 HG2 GLN A 831 1.052 -4.344 9.431 1.00 0.00 H new ATOM 0 HG3 GLN A 831 0.296 -3.748 10.895 1.00 0.00 H new ATOM 0 HE21 GLN A 831 2.112 -6.029 10.544 1.00 0.00 H new ATOM 0 HE22 GLN A 831 1.235 -7.449 11.121 1.00 0.00 H new ATOM 732 N ALA A 832 -0.028 -3.175 6.508 1.00 0.00 N ATOM 733 CA ALA A 832 0.987 -3.197 5.464 1.00 0.00 C ATOM 734 C ALA A 832 1.353 -1.789 5.020 1.00 0.00 C ATOM 735 O ALA A 832 2.530 -1.461 4.879 1.00 0.00 O ATOM 736 CB ALA A 832 0.502 -4.014 4.282 1.00 0.00 C ATOM 0 H ALA A 832 -0.891 -3.661 6.263 1.00 0.00 H new ATOM 0 HA ALA A 832 1.884 -3.662 5.874 1.00 0.00 H new ATOM 0 HB1 ALA A 832 1.269 -4.024 3.507 1.00 0.00 H new ATOM 0 HB2 ALA A 832 0.299 -5.035 4.604 1.00 0.00 H new ATOM 0 HB3 ALA A 832 -0.411 -3.571 3.884 1.00 0.00 H new ATOM 742 N THR A 833 0.341 -0.957 4.813 1.00 0.00 N ATOM 743 CA THR A 833 0.565 0.419 4.411 1.00 0.00 C ATOM 744 C THR A 833 1.354 1.167 5.478 1.00 0.00 C ATOM 745 O THR A 833 2.248 1.951 5.167 1.00 0.00 O ATOM 746 CB THR A 833 -0.764 1.159 4.145 1.00 0.00 C ATOM 747 OG1 THR A 833 -1.468 0.541 3.059 1.00 0.00 O ATOM 748 CG2 THR A 833 -0.513 2.626 3.829 1.00 0.00 C ATOM 0 H THR A 833 -0.641 -1.213 4.917 1.00 0.00 H new ATOM 0 HA THR A 833 1.137 0.394 3.484 1.00 0.00 H new ATOM 0 HB THR A 833 -1.373 1.097 5.047 1.00 0.00 H new ATOM 0 HG1 THR A 833 -1.896 -0.283 3.373 1.00 0.00 H new ATOM 0 HG21 THR A 833 -1.464 3.126 3.645 1.00 0.00 H new ATOM 0 HG22 THR A 833 -0.011 3.099 4.673 1.00 0.00 H new ATOM 0 HG23 THR A 833 0.116 2.705 2.942 1.00 0.00 H new ATOM 756 N SER A 834 1.043 0.888 6.734 1.00 0.00 N ATOM 757 CA SER A 834 1.701 1.563 7.843 1.00 0.00 C ATOM 758 C SER A 834 3.189 1.226 7.868 1.00 0.00 C ATOM 759 O SER A 834 4.034 2.110 8.021 1.00 0.00 O ATOM 760 CB SER A 834 1.040 1.182 9.170 1.00 0.00 C ATOM 761 OG SER A 834 -0.338 1.524 9.172 1.00 0.00 O ATOM 0 H SER A 834 0.342 0.201 7.011 1.00 0.00 H new ATOM 0 HA SER A 834 1.596 2.639 7.703 1.00 0.00 H new ATOM 0 HB2 SER A 834 1.152 0.111 9.341 1.00 0.00 H new ATOM 0 HB3 SER A 834 1.545 1.691 9.991 1.00 0.00 H new ATOM 0 HG SER A 834 -0.858 0.791 8.781 1.00 0.00 H new ATOM 767 N ASP A 835 3.504 -0.054 7.681 1.00 0.00 N ATOM 768 CA ASP A 835 4.892 -0.501 7.654 1.00 0.00 C ATOM 769 C ASP A 835 5.620 0.114 6.464 1.00 0.00 C ATOM 770 O ASP A 835 6.789 0.495 6.560 1.00 0.00 O ATOM 771 CB ASP A 835 4.963 -2.029 7.573 1.00 0.00 C ATOM 772 CG ASP A 835 6.348 -2.559 7.891 1.00 0.00 C ATOM 773 OD1 ASP A 835 7.193 -2.593 6.969 1.00 0.00 O ATOM 774 OD2 ASP A 835 6.604 -2.941 9.050 1.00 0.00 O ATOM 0 H ASP A 835 2.818 -0.797 7.546 1.00 0.00 H new ATOM 0 HA ASP A 835 5.376 -0.176 8.575 1.00 0.00 H new ATOM 0 HB2 ASP A 835 4.243 -2.461 8.268 1.00 0.00 H new ATOM 0 HB3 ASP A 835 4.674 -2.351 6.573 1.00 0.00 H new ATOM 779 N LEU A 836 4.910 0.220 5.345 1.00 0.00 N ATOM 780 CA LEU A 836 5.456 0.836 4.145 1.00 0.00 C ATOM 781 C LEU A 836 5.759 2.309 4.404 1.00 0.00 C ATOM 782 O LEU A 836 6.854 2.784 4.109 1.00 0.00 O ATOM 783 CB LEU A 836 4.469 0.703 2.979 1.00 0.00 C ATOM 784 CG LEU A 836 5.084 0.298 1.634 1.00 0.00 C ATOM 785 CD1 LEU A 836 4.042 0.349 0.531 1.00 0.00 C ATOM 786 CD2 LEU A 836 6.268 1.183 1.282 1.00 0.00 C ATOM 0 H LEU A 836 3.952 -0.115 5.246 1.00 0.00 H new ATOM 0 HA LEU A 836 6.381 0.323 3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 836 3.712 -0.034 3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 836 3.955 1.656 2.851 1.00 0.00 H new ATOM 0 HG LEU A 836 5.443 -0.727 1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 836 4.499 0.058 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 836 3.228 -0.337 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 836 3.650 1.362 0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 836 6.683 0.871 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 836 5.940 2.220 1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 836 7.032 1.093 2.054 1.00 0.00 H new ATOM 798 N VAL A 837 4.790 3.022 4.971 1.00 0.00 N ATOM 799 CA VAL A 837 4.954 4.441 5.276 1.00 0.00 C ATOM 800 C VAL A 837 6.126 4.664 6.230 1.00 0.00 C ATOM 801 O VAL A 837 6.911 5.591 6.045 1.00 0.00 O ATOM 802 CB VAL A 837 3.667 5.051 5.879 1.00 0.00 C ATOM 803 CG1 VAL A 837 3.898 6.491 6.323 1.00 0.00 C ATOM 804 CG2 VAL A 837 2.530 4.993 4.871 1.00 0.00 C ATOM 0 H VAL A 837 3.880 2.640 5.229 1.00 0.00 H new ATOM 0 HA VAL A 837 5.161 4.946 4.333 1.00 0.00 H new ATOM 0 HB VAL A 837 3.396 4.462 6.755 1.00 0.00 H new ATOM 0 HG11 VAL A 837 2.977 6.895 6.743 1.00 0.00 H new ATOM 0 HG12 VAL A 837 4.683 6.517 7.079 1.00 0.00 H new ATOM 0 HG13 VAL A 837 4.200 7.092 5.465 1.00 0.00 H new ATOM 0 HG21 VAL A 837 1.632 5.426 5.311 1.00 0.00 H new ATOM 0 HG22 VAL A 837 2.805 5.556 3.979 1.00 0.00 H new ATOM 0 HG23 VAL A 837 2.337 3.955 4.600 1.00 0.00 H new ATOM 814 N ASN A 838 6.250 3.801 7.236 1.00 0.00 N ATOM 815 CA ASN A 838 7.368 3.877 8.177 1.00 0.00 C ATOM 816 C ASN A 838 8.697 3.739 7.444 1.00 0.00 C ATOM 817 O ASN A 838 9.658 4.456 7.732 1.00 0.00 O ATOM 818 CB ASN A 838 7.262 2.789 9.253 1.00 0.00 C ATOM 819 CG ASN A 838 6.125 3.027 10.226 1.00 0.00 C ATOM 820 OD1 ASN A 838 5.747 4.169 10.495 1.00 0.00 O ATOM 821 ND2 ASN A 838 5.579 1.954 10.775 1.00 0.00 N ATOM 0 H ASN A 838 5.593 3.043 7.421 1.00 0.00 H new ATOM 0 HA ASN A 838 7.323 4.853 8.661 1.00 0.00 H new ATOM 0 HB2 ASN A 838 7.124 1.821 8.771 1.00 0.00 H new ATOM 0 HB3 ASN A 838 8.201 2.739 9.805 1.00 0.00 H new ATOM 0 HD21 ASN A 838 4.818 2.056 11.446 1.00 0.00 H new ATOM 0 HD22 ASN A 838 5.919 1.025 10.527 1.00 0.00 H new ATOM 828 N ALA A 839 8.740 2.813 6.490 1.00 0.00 N ATOM 829 CA ALA A 839 9.933 2.597 5.681 1.00 0.00 C ATOM 830 C ALA A 839 10.230 3.816 4.816 1.00 0.00 C ATOM 831 O ALA A 839 11.353 4.323 4.817 1.00 0.00 O ATOM 832 CB ALA A 839 9.762 1.360 4.813 1.00 0.00 C ATOM 0 H ALA A 839 7.959 2.199 6.259 1.00 0.00 H new ATOM 0 HA ALA A 839 10.779 2.442 6.351 1.00 0.00 H new ATOM 0 HB1 ALA A 839 10.660 1.209 4.213 1.00 0.00 H new ATOM 0 HB2 ALA A 839 9.600 0.489 5.448 1.00 0.00 H new ATOM 0 HB3 ALA A 839 8.904 1.494 4.154 1.00 0.00 H new ATOM 838 N ILE A 840 9.215 4.282 4.095 1.00 0.00 N ATOM 839 CA ILE A 840 9.346 5.448 3.224 1.00 0.00 C ATOM 840 C ILE A 840 9.798 6.673 4.017 1.00 0.00 C ATOM 841 O ILE A 840 10.729 7.374 3.624 1.00 0.00 O ATOM 842 CB ILE A 840 8.008 5.769 2.522 1.00 0.00 C ATOM 843 CG1 ILE A 840 7.556 4.591 1.657 1.00 0.00 C ATOM 844 CG2 ILE A 840 8.134 7.026 1.675 1.00 0.00 C ATOM 845 CD1 ILE A 840 6.226 4.813 0.968 1.00 0.00 C ATOM 0 H ILE A 840 8.284 3.866 4.097 1.00 0.00 H new ATOM 0 HA ILE A 840 10.097 5.207 2.472 1.00 0.00 H new ATOM 0 HB ILE A 840 7.255 5.943 3.291 1.00 0.00 H new ATOM 0 HG12 ILE A 840 8.317 4.394 0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 840 7.487 3.700 2.281 1.00 0.00 H new ATOM 0 HG21 ILE A 840 7.181 7.234 1.189 1.00 0.00 H new ATOM 0 HG22 ILE A 840 8.409 7.867 2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 840 8.903 6.878 0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 840 5.973 3.935 0.374 1.00 0.00 H new ATOM 0 HD12 ILE A 840 5.452 4.980 1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 840 6.295 5.684 0.317 1.00 0.00 H new ATOM 857 N LYS A 841 9.136 6.906 5.143 1.00 0.00 N ATOM 858 CA LYS A 841 9.426 8.055 5.991 1.00 0.00 C ATOM 859 C LYS A 841 10.879 8.034 6.454 1.00 0.00 C ATOM 860 O LYS A 841 11.611 9.009 6.279 1.00 0.00 O ATOM 861 CB LYS A 841 8.487 8.052 7.196 1.00 0.00 C ATOM 862 CG LYS A 841 8.573 9.305 8.050 1.00 0.00 C ATOM 863 CD LYS A 841 7.539 9.283 9.166 1.00 0.00 C ATOM 864 CE LYS A 841 6.122 9.336 8.618 1.00 0.00 C ATOM 865 NZ LYS A 841 5.105 9.311 9.700 1.00 0.00 N ATOM 0 H LYS A 841 8.387 6.308 5.493 1.00 0.00 H new ATOM 0 HA LYS A 841 9.269 8.966 5.413 1.00 0.00 H new ATOM 0 HB2 LYS A 841 7.462 7.934 6.844 1.00 0.00 H new ATOM 0 HB3 LYS A 841 8.713 7.185 7.817 1.00 0.00 H new ATOM 0 HG2 LYS A 841 9.572 9.389 8.478 1.00 0.00 H new ATOM 0 HG3 LYS A 841 8.419 10.185 7.426 1.00 0.00 H new ATOM 0 HD2 LYS A 841 7.665 8.379 9.762 1.00 0.00 H new ATOM 0 HD3 LYS A 841 7.704 10.130 9.832 1.00 0.00 H new ATOM 0 HE2 LYS A 841 5.997 10.241 8.024 1.00 0.00 H new ATOM 0 HE3 LYS A 841 5.960 8.491 7.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 4.153 9.349 9.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 5.207 8.435 10.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 5.242 10.131 10.324 1.00 0.00 H new ATOM 879 N ALA A 842 11.292 6.906 7.017 1.00 0.00 N ATOM 880 CA ALA A 842 12.650 6.748 7.521 1.00 0.00 C ATOM 881 C ALA A 842 13.670 6.872 6.397 1.00 0.00 C ATOM 882 O ALA A 842 14.756 7.429 6.576 1.00 0.00 O ATOM 883 CB ALA A 842 12.793 5.403 8.216 1.00 0.00 C ATOM 0 H ALA A 842 10.702 6.083 7.137 1.00 0.00 H new ATOM 0 HA ALA A 842 12.843 7.544 8.240 1.00 0.00 H new ATOM 0 HB1 ALA A 842 13.811 5.293 8.590 1.00 0.00 H new ATOM 0 HB2 ALA A 842 12.093 5.348 9.049 1.00 0.00 H new ATOM 0 HB3 ALA A 842 12.578 4.603 7.508 1.00 0.00 H new ATOM 889 N ASP A 843 13.309 6.364 5.229 1.00 0.00 N ATOM 890 CA ASP A 843 14.199 6.391 4.082 1.00 0.00 C ATOM 891 C ASP A 843 14.380 7.821 3.597 1.00 0.00 C ATOM 892 O ASP A 843 15.480 8.231 3.244 1.00 0.00 O ATOM 893 CB ASP A 843 13.651 5.515 2.957 1.00 0.00 C ATOM 894 CG ASP A 843 14.690 5.202 1.902 1.00 0.00 C ATOM 895 OD1 ASP A 843 15.890 5.415 2.161 1.00 0.00 O ATOM 896 OD2 ASP A 843 14.310 4.781 0.791 1.00 0.00 O ATOM 0 H ASP A 843 12.404 5.928 5.052 1.00 0.00 H new ATOM 0 HA ASP A 843 15.169 5.995 4.384 1.00 0.00 H new ATOM 0 HB2 ASP A 843 13.275 4.583 3.378 1.00 0.00 H new ATOM 0 HB3 ASP A 843 12.805 6.018 2.490 1.00 0.00 H new ATOM 901 N ALA A 844 13.296 8.585 3.627 1.00 0.00 N ATOM 902 CA ALA A 844 13.324 9.982 3.210 1.00 0.00 C ATOM 903 C ALA A 844 14.206 10.817 4.132 1.00 0.00 C ATOM 904 O ALA A 844 14.850 11.774 3.695 1.00 0.00 O ATOM 905 CB ALA A 844 11.914 10.549 3.174 1.00 0.00 C ATOM 0 H ALA A 844 12.381 8.259 3.938 1.00 0.00 H new ATOM 0 HA ALA A 844 13.750 10.025 2.208 1.00 0.00 H new ATOM 0 HB1 ALA A 844 11.949 11.593 2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 844 11.310 9.979 2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 844 11.470 10.483 4.167 1.00 0.00 H new ATOM 911 N GLU A 845 14.236 10.451 5.409 1.00 0.00 N ATOM 912 CA GLU A 845 15.053 11.159 6.388 1.00 0.00 C ATOM 913 C GLU A 845 16.532 10.837 6.198 1.00 0.00 C ATOM 914 O GLU A 845 17.396 11.680 6.435 1.00 0.00 O ATOM 915 CB GLU A 845 14.612 10.807 7.811 1.00 0.00 C ATOM 916 CG GLU A 845 13.176 11.207 8.117 1.00 0.00 C ATOM 917 CD GLU A 845 12.813 11.032 9.579 1.00 0.00 C ATOM 918 OE1 GLU A 845 13.290 11.833 10.408 1.00 0.00 O ATOM 919 OE2 GLU A 845 12.028 10.116 9.903 1.00 0.00 O ATOM 0 H GLU A 845 13.704 9.669 5.790 1.00 0.00 H new ATOM 0 HA GLU A 845 14.913 12.229 6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 845 14.722 9.733 7.962 1.00 0.00 H new ATOM 0 HB3 GLU A 845 15.277 11.298 8.521 1.00 0.00 H new ATOM 0 HG2 GLU A 845 13.026 12.249 7.833 1.00 0.00 H new ATOM 0 HG3 GLU A 845 12.500 10.609 7.506 1.00 0.00 H new ATOM 926 N GLY A 846 16.817 9.619 5.758 1.00 0.00 N ATOM 927 CA GLY A 846 18.194 9.207 5.544 1.00 0.00 C ATOM 928 C GLY A 846 18.700 9.557 4.157 1.00 0.00 C ATOM 929 O GLY A 846 19.907 9.694 3.943 1.00 0.00 O ATOM 0 H GLY A 846 16.119 8.906 5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 846 18.831 9.682 6.290 1.00 0.00 H new ATOM 0 HA3 GLY A 846 18.275 8.131 5.695 1.00 0.00 H new ATOM 933 N GLU A 847 17.776 9.679 3.212 1.00 0.00 N ATOM 934 CA GLU A 847 18.106 10.054 1.846 1.00 0.00 C ATOM 935 C GLU A 847 18.768 11.429 1.809 1.00 0.00 C ATOM 936 O GLU A 847 18.296 12.374 2.440 1.00 0.00 O ATOM 937 CB GLU A 847 16.834 10.042 0.986 1.00 0.00 C ATOM 938 CG GLU A 847 17.040 10.484 -0.454 1.00 0.00 C ATOM 939 CD GLU A 847 18.078 9.658 -1.186 1.00 0.00 C ATOM 940 OE1 GLU A 847 17.713 8.628 -1.780 1.00 0.00 O ATOM 941 OE2 GLU A 847 19.263 10.045 -1.179 1.00 0.00 O ATOM 0 H GLU A 847 16.781 9.521 3.372 1.00 0.00 H new ATOM 0 HA GLU A 847 18.814 9.331 1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 847 16.420 9.034 0.987 1.00 0.00 H new ATOM 0 HB3 GLU A 847 16.092 10.692 1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 847 16.091 10.420 -0.987 1.00 0.00 H new ATOM 0 HG3 GLU A 847 17.342 11.531 -0.467 1.00 0.00 H new ATOM 948 N SER A 848 19.870 11.526 1.080 1.00 0.00 N ATOM 949 CA SER A 848 20.604 12.774 0.961 1.00 0.00 C ATOM 950 C SER A 848 20.141 13.556 -0.266 1.00 0.00 C ATOM 951 O SER A 848 20.578 14.685 -0.499 1.00 0.00 O ATOM 952 CB SER A 848 22.101 12.486 0.874 1.00 0.00 C ATOM 953 OG SER A 848 22.513 11.647 1.940 1.00 0.00 O ATOM 0 H SER A 848 20.276 10.749 0.559 1.00 0.00 H new ATOM 0 HA SER A 848 20.409 13.382 1.845 1.00 0.00 H new ATOM 0 HB2 SER A 848 22.330 12.010 -0.079 1.00 0.00 H new ATOM 0 HB3 SER A 848 22.659 13.422 0.905 1.00 0.00 H new ATOM 0 HG SER A 848 23.474 11.472 1.866 1.00 0.00 H new ATOM 959 N ASP A 849 19.272 12.942 -1.058 1.00 0.00 N ATOM 960 CA ASP A 849 18.687 13.616 -2.209 1.00 0.00 C ATOM 961 C ASP A 849 17.421 14.341 -1.773 1.00 0.00 C ATOM 962 O ASP A 849 16.405 13.714 -1.475 1.00 0.00 O ATOM 963 CB ASP A 849 18.377 12.617 -3.328 1.00 0.00 C ATOM 964 CG ASP A 849 17.979 13.303 -4.621 1.00 0.00 C ATOM 965 OD1 ASP A 849 16.813 13.716 -4.751 1.00 0.00 O ATOM 966 OD2 ASP A 849 18.840 13.437 -5.518 1.00 0.00 O ATOM 0 H ASP A 849 18.957 11.981 -0.925 1.00 0.00 H new ATOM 0 HA ASP A 849 19.402 14.339 -2.601 1.00 0.00 H new ATOM 0 HB2 ASP A 849 19.252 11.992 -3.506 1.00 0.00 H new ATOM 0 HB3 ASP A 849 17.572 11.955 -3.008 1.00 0.00 H new ATOM 971 N LEU A 850 17.501 15.662 -1.730 1.00 0.00 N ATOM 972 CA LEU A 850 16.458 16.494 -1.141 1.00 0.00 C ATOM 973 C LEU A 850 15.111 16.294 -1.837 1.00 0.00 C ATOM 974 O LEU A 850 14.085 16.113 -1.175 1.00 0.00 O ATOM 975 CB LEU A 850 16.880 17.964 -1.214 1.00 0.00 C ATOM 976 CG LEU A 850 16.301 18.897 -0.135 1.00 0.00 C ATOM 977 CD1 LEU A 850 14.824 19.162 -0.364 1.00 0.00 C ATOM 978 CD2 LEU A 850 16.525 18.311 1.251 1.00 0.00 C ATOM 0 H LEU A 850 18.291 16.190 -2.102 1.00 0.00 H new ATOM 0 HA LEU A 850 16.332 16.197 -0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 850 17.968 18.010 -1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 850 16.594 18.353 -2.191 1.00 0.00 H new ATOM 0 HG LEU A 850 16.826 19.850 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 850 14.448 19.824 0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 850 14.685 19.633 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 850 14.277 18.220 -0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 850 16.110 18.983 2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 850 16.032 17.341 1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 850 17.594 18.188 1.426 1.00 0.00 H new ATOM 990 N GLU A 851 15.111 16.317 -3.166 1.00 0.00 N ATOM 991 CA GLU A 851 13.866 16.217 -3.917 1.00 0.00 C ATOM 992 C GLU A 851 13.258 14.834 -3.735 1.00 0.00 C ATOM 993 O GLU A 851 12.037 14.678 -3.686 1.00 0.00 O ATOM 994 CB GLU A 851 14.084 16.524 -5.402 1.00 0.00 C ATOM 995 CG GLU A 851 14.690 15.391 -6.214 1.00 0.00 C ATOM 996 CD GLU A 851 14.890 15.769 -7.665 1.00 0.00 C ATOM 997 OE1 GLU A 851 13.959 15.563 -8.473 1.00 0.00 O ATOM 998 OE2 GLU A 851 15.974 16.285 -8.005 1.00 0.00 O ATOM 0 H GLU A 851 15.950 16.403 -3.740 1.00 0.00 H new ATOM 0 HA GLU A 851 13.171 16.961 -3.528 1.00 0.00 H new ATOM 0 HB2 GLU A 851 13.126 16.795 -5.845 1.00 0.00 H new ATOM 0 HB3 GLU A 851 14.732 17.396 -5.485 1.00 0.00 H new ATOM 0 HG2 GLU A 851 15.648 15.107 -5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 851 14.042 14.517 -6.154 1.00 0.00 H new ATOM 1005 N ASN A 852 14.121 13.837 -3.610 1.00 0.00 N ATOM 1006 CA ASN A 852 13.681 12.472 -3.393 1.00 0.00 C ATOM 1007 C ASN A 852 13.062 12.342 -2.007 1.00 0.00 C ATOM 1008 O ASN A 852 12.046 11.669 -1.835 1.00 0.00 O ATOM 1009 CB ASN A 852 14.853 11.504 -3.544 1.00 0.00 C ATOM 1010 CG ASN A 852 14.409 10.053 -3.651 1.00 0.00 C ATOM 1011 OD1 ASN A 852 13.340 9.754 -4.183 1.00 0.00 O ATOM 1012 ND2 ASN A 852 15.224 9.139 -3.145 1.00 0.00 N ATOM 0 H ASN A 852 15.134 13.951 -3.656 1.00 0.00 H new ATOM 0 HA ASN A 852 12.929 12.221 -4.141 1.00 0.00 H new ATOM 0 HB2 ASN A 852 15.426 11.770 -4.432 1.00 0.00 H new ATOM 0 HB3 ASN A 852 15.521 11.613 -2.689 1.00 0.00 H new ATOM 0 HD21 ASN A 852 14.973 8.151 -3.189 1.00 0.00 H new ATOM 0 HD22 ASN A 852 16.102 9.423 -2.711 1.00 0.00 H new ATOM 1019 N SER A 853 13.660 13.019 -1.026 1.00 0.00 N ATOM 1020 CA SER A 853 13.149 12.999 0.339 1.00 0.00 C ATOM 1021 C SER A 853 11.724 13.550 0.387 1.00 0.00 C ATOM 1022 O SER A 853 10.821 12.931 0.956 1.00 0.00 O ATOM 1023 CB SER A 853 14.057 13.816 1.260 1.00 0.00 C ATOM 1024 OG SER A 853 15.363 13.270 1.308 1.00 0.00 O ATOM 0 H SER A 853 14.498 13.587 -1.154 1.00 0.00 H new ATOM 0 HA SER A 853 13.135 11.965 0.684 1.00 0.00 H new ATOM 0 HB2 SER A 853 14.104 14.847 0.908 1.00 0.00 H new ATOM 0 HB3 SER A 853 13.633 13.841 2.264 1.00 0.00 H new ATOM 0 HG SER A 853 15.444 12.684 2.089 1.00 0.00 H new ATOM 1030 N ARG A 854 11.530 14.712 -0.231 1.00 0.00 N ATOM 1031 CA ARG A 854 10.223 15.358 -0.276 1.00 0.00 C ATOM 1032 C ARG A 854 9.220 14.499 -1.036 1.00 0.00 C ATOM 1033 O ARG A 854 8.051 14.401 -0.656 1.00 0.00 O ATOM 1034 CB ARG A 854 10.335 16.734 -0.935 1.00 0.00 C ATOM 1035 CG ARG A 854 11.117 17.744 -0.115 1.00 0.00 C ATOM 1036 CD ARG A 854 11.349 19.029 -0.893 1.00 0.00 C ATOM 1037 NE ARG A 854 10.100 19.607 -1.385 1.00 0.00 N ATOM 1038 CZ ARG A 854 9.994 20.270 -2.535 1.00 0.00 C ATOM 1039 NH1 ARG A 854 11.067 20.467 -3.290 1.00 0.00 N ATOM 1040 NH2 ARG A 854 8.820 20.752 -2.927 1.00 0.00 N ATOM 0 H ARG A 854 12.268 15.228 -0.711 1.00 0.00 H new ATOM 0 HA ARG A 854 9.869 15.480 0.748 1.00 0.00 H new ATOM 0 HB2 ARG A 854 10.813 16.623 -1.908 1.00 0.00 H new ATOM 0 HB3 ARG A 854 9.333 17.123 -1.114 1.00 0.00 H new ATOM 0 HG2 ARG A 854 10.575 17.966 0.804 1.00 0.00 H new ATOM 0 HG3 ARG A 854 12.076 17.315 0.176 1.00 0.00 H new ATOM 0 HD2 ARG A 854 11.856 19.752 -0.254 1.00 0.00 H new ATOM 0 HD3 ARG A 854 12.011 18.828 -1.735 1.00 0.00 H new ATOM 0 HE ARG A 854 9.262 19.496 -0.815 1.00 0.00 H new ATOM 0 HH11 ARG A 854 11.974 20.110 -2.990 1.00 0.00 H new ATOM 0 HH12 ARG A 854 10.985 20.975 -4.171 1.00 0.00 H new ATOM 0 HH21 ARG A 854 7.993 20.615 -2.346 1.00 0.00 H new ATOM 0 HH22 ARG A 854 8.746 21.259 -3.809 1.00 0.00 H new ATOM 1054 N LYS A 855 9.690 13.868 -2.105 1.00 0.00 N ATOM 1055 CA LYS A 855 8.849 13.000 -2.917 1.00 0.00 C ATOM 1056 C LYS A 855 8.354 11.814 -2.095 1.00 0.00 C ATOM 1057 O LYS A 855 7.171 11.478 -2.124 1.00 0.00 O ATOM 1058 CB LYS A 855 9.626 12.500 -4.135 1.00 0.00 C ATOM 1059 CG LYS A 855 8.800 11.653 -5.090 1.00 0.00 C ATOM 1060 CD LYS A 855 9.675 11.003 -6.149 1.00 0.00 C ATOM 1061 CE LYS A 855 10.602 9.963 -5.538 1.00 0.00 C ATOM 1062 NZ LYS A 855 11.577 9.434 -6.525 1.00 0.00 N ATOM 0 H LYS A 855 10.654 13.942 -2.430 1.00 0.00 H new ATOM 0 HA LYS A 855 7.988 13.575 -3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 855 10.023 13.358 -4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 855 10.480 11.916 -3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 855 8.270 10.883 -4.530 1.00 0.00 H new ATOM 0 HG3 LYS A 855 8.045 12.275 -5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 855 9.046 10.533 -6.905 1.00 0.00 H new ATOM 0 HD3 LYS A 855 10.265 11.767 -6.655 1.00 0.00 H new ATOM 0 HE2 LYS A 855 11.140 10.406 -4.700 1.00 0.00 H new ATOM 0 HE3 LYS A 855 10.009 9.140 -5.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 855 12.513 9.352 -6.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 855 11.266 8.497 -6.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 855 11.636 10.082 -7.336 1.00 0.00 H new ATOM 1076 N LEU A 856 9.271 11.192 -1.358 1.00 0.00 N ATOM 1077 CA LEU A 856 8.939 10.042 -0.523 1.00 0.00 C ATOM 1078 C LEU A 856 7.909 10.420 0.537 1.00 0.00 C ATOM 1079 O LEU A 856 6.892 9.742 0.696 1.00 0.00 O ATOM 1080 CB LEU A 856 10.201 9.483 0.144 1.00 0.00 C ATOM 1081 CG LEU A 856 11.257 8.925 -0.814 1.00 0.00 C ATOM 1082 CD1 LEU A 856 12.484 8.462 -0.043 1.00 0.00 C ATOM 1083 CD2 LEU A 856 10.684 7.783 -1.638 1.00 0.00 C ATOM 0 H LEU A 856 10.253 11.467 -1.323 1.00 0.00 H new ATOM 0 HA LEU A 856 8.508 9.272 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 856 10.657 10.273 0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 856 9.907 8.692 0.834 1.00 0.00 H new ATOM 0 HG LEU A 856 11.557 9.722 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 856 13.224 8.068 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 856 12.910 9.304 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 856 12.198 7.681 0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 856 11.450 7.401 -2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 856 10.354 6.985 -0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 856 9.836 8.144 -2.220 1.00 0.00 H new ATOM 1095 N LEU A 857 8.161 11.517 1.243 1.00 0.00 N ATOM 1096 CA LEU A 857 7.260 11.972 2.299 1.00 0.00 C ATOM 1097 C LEU A 857 5.881 12.323 1.744 1.00 0.00 C ATOM 1098 O LEU A 857 4.869 12.174 2.429 1.00 0.00 O ATOM 1099 CB LEU A 857 7.859 13.177 3.027 1.00 0.00 C ATOM 1100 CG LEU A 857 9.108 12.871 3.854 1.00 0.00 C ATOM 1101 CD1 LEU A 857 9.687 14.147 4.440 1.00 0.00 C ATOM 1102 CD2 LEU A 857 8.782 11.876 4.958 1.00 0.00 C ATOM 0 H LEU A 857 8.981 12.108 1.104 1.00 0.00 H new ATOM 0 HA LEU A 857 7.138 11.153 3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 857 8.106 13.942 2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 857 7.100 13.601 3.685 1.00 0.00 H new ATOM 0 HG LEU A 857 9.856 12.426 3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 857 10.575 13.908 5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 857 9.956 14.828 3.633 1.00 0.00 H new ATOM 0 HD13 LEU A 857 8.946 14.621 5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 857 9.681 11.668 5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 857 8.017 12.296 5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 857 8.413 10.950 4.516 1.00 0.00 H new ATOM 1114 N SER A 858 5.847 12.784 0.502 1.00 0.00 N ATOM 1115 CA SER A 858 4.590 13.101 -0.157 1.00 0.00 C ATOM 1116 C SER A 858 3.891 11.828 -0.630 1.00 0.00 C ATOM 1117 O SER A 858 2.665 11.726 -0.580 1.00 0.00 O ATOM 1118 CB SER A 858 4.838 14.046 -1.331 1.00 0.00 C ATOM 1119 OG SER A 858 5.437 15.252 -0.885 1.00 0.00 O ATOM 0 H SER A 858 6.676 12.947 -0.069 1.00 0.00 H new ATOM 0 HA SER A 858 3.937 13.598 0.561 1.00 0.00 H new ATOM 0 HB2 SER A 858 5.484 13.562 -2.064 1.00 0.00 H new ATOM 0 HB3 SER A 858 3.896 14.266 -1.833 1.00 0.00 H new ATOM 0 HG SER A 858 6.400 15.115 -0.766 1.00 0.00 H new ATOM 1125 N ALA A 859 4.681 10.854 -1.074 1.00 0.00 N ATOM 1126 CA ALA A 859 4.145 9.575 -1.523 1.00 0.00 C ATOM 1127 C ALA A 859 3.504 8.828 -0.361 1.00 0.00 C ATOM 1128 O ALA A 859 2.426 8.249 -0.502 1.00 0.00 O ATOM 1129 CB ALA A 859 5.242 8.731 -2.153 1.00 0.00 C ATOM 0 H ALA A 859 5.697 10.928 -1.132 1.00 0.00 H new ATOM 0 HA ALA A 859 3.380 9.767 -2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 859 4.825 7.779 -2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 859 5.661 9.260 -3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 859 6.027 8.548 -1.419 1.00 0.00 H new ATOM 1135 N ALA A 860 4.173 8.852 0.789 1.00 0.00 N ATOM 1136 CA ALA A 860 3.642 8.238 2.001 1.00 0.00 C ATOM 1137 C ALA A 860 2.308 8.874 2.374 1.00 0.00 C ATOM 1138 O ALA A 860 1.364 8.185 2.760 1.00 0.00 O ATOM 1139 CB ALA A 860 4.640 8.374 3.145 1.00 0.00 C ATOM 0 H ALA A 860 5.086 9.291 0.906 1.00 0.00 H new ATOM 0 HA ALA A 860 3.478 7.177 1.813 1.00 0.00 H new ATOM 0 HB1 ALA A 860 4.230 7.911 4.043 1.00 0.00 H new ATOM 0 HB2 ALA A 860 5.573 7.879 2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 860 4.832 9.430 3.337 1.00 0.00 H new ATOM 1145 N LYS A 861 2.244 10.196 2.239 1.00 0.00 N ATOM 1146 CA LYS A 861 1.019 10.943 2.495 1.00 0.00 C ATOM 1147 C LYS A 861 -0.117 10.457 1.596 1.00 0.00 C ATOM 1148 O LYS A 861 -1.212 10.152 2.074 1.00 0.00 O ATOM 1149 CB LYS A 861 1.255 12.438 2.261 1.00 0.00 C ATOM 1150 CG LYS A 861 0.004 13.283 2.419 1.00 0.00 C ATOM 1151 CD LYS A 861 0.227 14.707 1.946 1.00 0.00 C ATOM 1152 CE LYS A 861 -1.049 15.528 2.033 1.00 0.00 C ATOM 1153 NZ LYS A 861 -2.130 14.967 1.179 1.00 0.00 N ATOM 0 H LYS A 861 3.033 10.774 1.951 1.00 0.00 H new ATOM 0 HA LYS A 861 0.734 10.778 3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 861 2.013 12.791 2.960 1.00 0.00 H new ATOM 0 HB3 LYS A 861 1.656 12.581 1.258 1.00 0.00 H new ATOM 0 HG2 LYS A 861 -0.812 12.835 1.852 1.00 0.00 H new ATOM 0 HG3 LYS A 861 -0.301 13.290 3.466 1.00 0.00 H new ATOM 0 HD2 LYS A 861 1.004 15.175 2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 861 0.586 14.698 0.917 1.00 0.00 H new ATOM 0 HE2 LYS A 861 -1.387 15.565 3.069 1.00 0.00 H new ATOM 0 HE3 LYS A 861 -0.842 16.554 1.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 861 -2.883 15.675 1.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 861 -1.742 14.718 0.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 861 -2.522 14.115 1.629 1.00 0.00 H new ATOM 1167 N ILE A 862 0.157 10.387 0.294 1.00 0.00 N ATOM 1168 CA ILE A 862 -0.837 9.954 -0.683 1.00 0.00 C ATOM 1169 C ILE A 862 -1.288 8.526 -0.399 1.00 0.00 C ATOM 1170 O ILE A 862 -2.487 8.238 -0.352 1.00 0.00 O ATOM 1171 CB ILE A 862 -0.279 10.034 -2.123 1.00 0.00 C ATOM 1172 CG1 ILE A 862 0.124 11.474 -2.457 1.00 0.00 C ATOM 1173 CG2 ILE A 862 -1.303 9.519 -3.130 1.00 0.00 C ATOM 1174 CD1 ILE A 862 0.814 11.619 -3.796 1.00 0.00 C ATOM 0 H ILE A 862 1.063 10.626 -0.108 1.00 0.00 H new ATOM 0 HA ILE A 862 -1.690 10.627 -0.597 1.00 0.00 H new ATOM 0 HB ILE A 862 0.606 9.400 -2.184 1.00 0.00 H new ATOM 0 HG12 ILE A 862 -0.767 12.102 -2.448 1.00 0.00 H new ATOM 0 HG13 ILE A 862 0.786 11.847 -1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 862 -0.889 9.585 -4.136 1.00 0.00 H new ATOM 0 HG22 ILE A 862 -1.545 8.480 -2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 862 -2.208 10.123 -3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 862 1.069 12.666 -3.962 1.00 0.00 H new ATOM 0 HD12 ILE A 862 1.724 11.018 -3.804 1.00 0.00 H new ATOM 0 HD13 ILE A 862 0.147 11.278 -4.588 1.00 0.00 H new ATOM 1186 N LEU A 863 -0.316 7.645 -0.192 1.00 0.00 N ATOM 1187 CA LEU A 863 -0.586 6.242 0.084 1.00 0.00 C ATOM 1188 C LEU A 863 -1.460 6.068 1.320 1.00 0.00 C ATOM 1189 O LEU A 863 -2.521 5.450 1.250 1.00 0.00 O ATOM 1190 CB LEU A 863 0.726 5.474 0.261 1.00 0.00 C ATOM 1191 CG LEU A 863 0.589 4.102 0.920 1.00 0.00 C ATOM 1192 CD1 LEU A 863 -0.448 3.260 0.198 1.00 0.00 C ATOM 1193 CD2 LEU A 863 1.932 3.397 0.959 1.00 0.00 C ATOM 0 H LEU A 863 0.676 7.883 -0.211 1.00 0.00 H new ATOM 0 HA LEU A 863 -1.130 5.839 -0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 863 1.189 5.345 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 863 1.407 6.081 0.858 1.00 0.00 H new ATOM 0 HG LEU A 863 0.249 4.243 1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 863 -0.529 2.288 0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 863 -1.414 3.764 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 863 -0.146 3.123 -0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 863 1.817 2.421 1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 863 2.304 3.267 -0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 863 2.641 3.996 1.531 1.00 0.00 H new ATOM 1205 N ALA A 864 -1.014 6.620 2.442 1.00 0.00 N ATOM 1206 CA ALA A 864 -1.712 6.449 3.711 1.00 0.00 C ATOM 1207 C ALA A 864 -3.171 6.883 3.609 1.00 0.00 C ATOM 1208 O ALA A 864 -4.035 6.366 4.318 1.00 0.00 O ATOM 1209 CB ALA A 864 -0.998 7.219 4.807 1.00 0.00 C ATOM 0 H ALA A 864 -0.171 7.191 2.499 1.00 0.00 H new ATOM 0 HA ALA A 864 -1.703 5.388 3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -1.527 7.085 5.750 1.00 0.00 H new ATOM 0 HB2 ALA A 864 0.022 6.848 4.907 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -0.975 8.278 4.552 1.00 0.00 H new ATOM 1215 N ASP A 865 -3.442 7.816 2.709 1.00 0.00 N ATOM 1216 CA ASP A 865 -4.799 8.304 2.511 1.00 0.00 C ATOM 1217 C ASP A 865 -5.599 7.369 1.629 1.00 0.00 C ATOM 1218 O ASP A 865 -6.788 7.149 1.864 1.00 0.00 O ATOM 1219 CB ASP A 865 -4.790 9.708 1.908 1.00 0.00 C ATOM 1220 CG ASP A 865 -6.180 10.210 1.561 1.00 0.00 C ATOM 1221 OD1 ASP A 865 -6.876 10.720 2.464 1.00 0.00 O ATOM 1222 OD2 ASP A 865 -6.588 10.081 0.384 1.00 0.00 O ATOM 0 H ASP A 865 -2.743 8.249 2.106 1.00 0.00 H new ATOM 0 HA ASP A 865 -5.276 8.344 3.490 1.00 0.00 H new ATOM 0 HB2 ASP A 865 -4.325 10.398 2.613 1.00 0.00 H new ATOM 0 HB3 ASP A 865 -4.174 9.708 1.009 1.00 0.00 H new ATOM 1227 N ALA A 866 -4.950 6.812 0.625 1.00 0.00 N ATOM 1228 CA ALA A 866 -5.594 5.845 -0.239 1.00 0.00 C ATOM 1229 C ALA A 866 -6.044 4.645 0.582 1.00 0.00 C ATOM 1230 O ALA A 866 -7.083 4.049 0.314 1.00 0.00 O ATOM 1231 CB ALA A 866 -4.651 5.425 -1.353 1.00 0.00 C ATOM 0 H ALA A 866 -3.978 7.013 0.389 1.00 0.00 H new ATOM 0 HA ALA A 866 -6.473 6.298 -0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 866 -5.148 4.698 -1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 866 -4.372 6.299 -1.942 1.00 0.00 H new ATOM 0 HB3 ALA A 866 -3.756 4.977 -0.922 1.00 0.00 H new ATOM 1237 N THR A 867 -5.264 4.321 1.606 1.00 0.00 N ATOM 1238 CA THR A 867 -5.600 3.247 2.522 1.00 0.00 C ATOM 1239 C THR A 867 -6.750 3.648 3.444 1.00 0.00 C ATOM 1240 O THR A 867 -7.649 2.855 3.694 1.00 0.00 O ATOM 1241 CB THR A 867 -4.378 2.850 3.364 1.00 0.00 C ATOM 1242 OG1 THR A 867 -3.229 2.774 2.518 1.00 0.00 O ATOM 1243 CG2 THR A 867 -4.597 1.508 4.048 1.00 0.00 C ATOM 0 H THR A 867 -4.386 4.794 1.821 1.00 0.00 H new ATOM 0 HA THR A 867 -5.915 2.392 1.924 1.00 0.00 H new ATOM 0 HB THR A 867 -4.227 3.605 4.135 1.00 0.00 H new ATOM 0 HG1 THR A 867 -2.776 1.916 2.658 1.00 0.00 H new ATOM 0 HG21 THR A 867 -3.716 1.252 4.637 1.00 0.00 H new ATOM 0 HG22 THR A 867 -5.466 1.571 4.703 1.00 0.00 H new ATOM 0 HG23 THR A 867 -4.766 0.739 3.294 1.00 0.00 H new ATOM 1251 N ALA A 868 -6.716 4.878 3.947 1.00 0.00 N ATOM 1252 CA ALA A 868 -7.808 5.407 4.757 1.00 0.00 C ATOM 1253 C ALA A 868 -9.121 5.333 3.987 1.00 0.00 C ATOM 1254 O ALA A 868 -10.151 4.924 4.527 1.00 0.00 O ATOM 1255 CB ALA A 868 -7.514 6.839 5.175 1.00 0.00 C ATOM 0 H ALA A 868 -5.943 5.528 3.808 1.00 0.00 H new ATOM 0 HA ALA A 868 -7.900 4.799 5.657 1.00 0.00 H new ATOM 0 HB1 ALA A 868 -8.339 7.218 5.779 1.00 0.00 H new ATOM 0 HB2 ALA A 868 -6.594 6.866 5.759 1.00 0.00 H new ATOM 0 HB3 ALA A 868 -7.398 7.461 4.287 1.00 0.00 H new ATOM 1261 N LYS A 869 -9.072 5.726 2.717 1.00 0.00 N ATOM 1262 CA LYS A 869 -10.212 5.576 1.822 1.00 0.00 C ATOM 1263 C LYS A 869 -10.581 4.110 1.687 1.00 0.00 C ATOM 1264 O LYS A 869 -11.720 3.714 1.930 1.00 0.00 O ATOM 1265 CB LYS A 869 -9.872 6.113 0.432 1.00 0.00 C ATOM 1266 CG LYS A 869 -9.755 7.619 0.345 1.00 0.00 C ATOM 1267 CD LYS A 869 -9.278 8.034 -1.036 1.00 0.00 C ATOM 1268 CE LYS A 869 -9.969 9.297 -1.513 1.00 0.00 C ATOM 1269 NZ LYS A 869 -9.697 10.463 -0.630 1.00 0.00 N ATOM 0 H LYS A 869 -8.252 6.152 2.285 1.00 0.00 H new ATOM 0 HA LYS A 869 -11.047 6.137 2.243 1.00 0.00 H new ATOM 0 HB2 LYS A 869 -8.931 5.670 0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 869 -10.639 5.781 -0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 869 -10.721 8.078 0.556 1.00 0.00 H new ATOM 0 HG3 LYS A 869 -9.058 7.980 1.101 1.00 0.00 H new ATOM 0 HD2 LYS A 869 -8.200 8.195 -1.015 1.00 0.00 H new ATOM 0 HD3 LYS A 869 -9.466 7.227 -1.744 1.00 0.00 H new ATOM 0 HE2 LYS A 869 -9.639 9.528 -2.526 1.00 0.00 H new ATOM 0 HE3 LYS A 869 -11.044 9.124 -1.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 -9.807 11.343 -1.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 -10.368 10.461 0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 -8.726 10.402 -0.263 1.00 0.00 H new ATOM 1283 N MET A 870 -9.580 3.323 1.320 1.00 0.00 N ATOM 1284 CA MET A 870 -9.738 1.902 1.046 1.00 0.00 C ATOM 1285 C MET A 870 -10.359 1.155 2.220 1.00 0.00 C ATOM 1286 O MET A 870 -11.349 0.447 2.061 1.00 0.00 O ATOM 1287 CB MET A 870 -8.370 1.305 0.719 1.00 0.00 C ATOM 1288 CG MET A 870 -8.389 -0.195 0.548 1.00 0.00 C ATOM 1289 SD MET A 870 -9.617 -0.721 -0.647 1.00 0.00 S ATOM 1290 CE MET A 870 -9.337 -2.477 -0.607 1.00 0.00 C ATOM 0 H MET A 870 -8.624 3.657 1.203 1.00 0.00 H new ATOM 0 HA MET A 870 -10.416 1.794 0.199 1.00 0.00 H new ATOM 0 HB2 MET A 870 -7.993 1.762 -0.196 1.00 0.00 H new ATOM 0 HB3 MET A 870 -7.671 1.563 1.515 1.00 0.00 H new ATOM 0 HG2 MET A 870 -7.404 -0.536 0.229 1.00 0.00 H new ATOM 0 HG3 MET A 870 -8.594 -0.667 1.509 1.00 0.00 H new ATOM 0 HE1 MET A 870 -10.244 -2.997 -0.914 1.00 0.00 H new ATOM 0 HE2 MET A 870 -8.525 -2.732 -1.288 1.00 0.00 H new ATOM 0 HE3 MET A 870 -9.070 -2.780 0.405 1.00 0.00 H new ATOM 1300 N VAL A 871 -9.773 1.325 3.391 1.00 0.00 N ATOM 1301 CA VAL A 871 -10.196 0.606 4.581 1.00 0.00 C ATOM 1302 C VAL A 871 -11.659 0.881 4.916 1.00 0.00 C ATOM 1303 O VAL A 871 -12.437 -0.052 5.117 1.00 0.00 O ATOM 1304 CB VAL A 871 -9.285 0.957 5.778 1.00 0.00 C ATOM 1305 CG1 VAL A 871 -9.878 0.489 7.095 1.00 0.00 C ATOM 1306 CG2 VAL A 871 -7.914 0.340 5.574 1.00 0.00 C ATOM 0 H VAL A 871 -8.992 1.963 3.545 1.00 0.00 H new ATOM 0 HA VAL A 871 -10.104 -0.460 4.373 1.00 0.00 H new ATOM 0 HB VAL A 871 -9.197 2.042 5.826 1.00 0.00 H new ATOM 0 HG11 VAL A 871 -9.207 0.755 7.911 1.00 0.00 H new ATOM 0 HG12 VAL A 871 -10.845 0.968 7.249 1.00 0.00 H new ATOM 0 HG13 VAL A 871 -10.009 -0.593 7.071 1.00 0.00 H new ATOM 0 HG21 VAL A 871 -7.273 0.589 6.420 1.00 0.00 H new ATOM 0 HG22 VAL A 871 -8.010 -0.743 5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 871 -7.472 0.730 4.657 1.00 0.00 H new ATOM 1316 N GLU A 872 -12.042 2.149 4.940 1.00 0.00 N ATOM 1317 CA GLU A 872 -13.414 2.510 5.268 1.00 0.00 C ATOM 1318 C GLU A 872 -14.365 2.136 4.132 1.00 0.00 C ATOM 1319 O GLU A 872 -15.534 1.827 4.371 1.00 0.00 O ATOM 1320 CB GLU A 872 -13.519 3.999 5.588 1.00 0.00 C ATOM 1321 CG GLU A 872 -12.737 4.407 6.826 1.00 0.00 C ATOM 1322 CD GLU A 872 -13.102 3.579 8.045 1.00 0.00 C ATOM 1323 OE1 GLU A 872 -14.292 3.552 8.418 1.00 0.00 O ATOM 1324 OE2 GLU A 872 -12.204 2.940 8.631 1.00 0.00 O ATOM 0 H GLU A 872 -11.429 2.939 4.738 1.00 0.00 H new ATOM 0 HA GLU A 872 -13.707 1.947 6.154 1.00 0.00 H new ATOM 0 HB2 GLU A 872 -13.159 4.573 4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 872 -14.568 4.260 5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 872 -11.670 4.304 6.628 1.00 0.00 H new ATOM 0 HG3 GLU A 872 -12.922 5.460 7.038 1.00 0.00 H new ATOM 1331 N ALA A 873 -13.861 2.146 2.903 1.00 0.00 N ATOM 1332 CA ALA A 873 -14.658 1.744 1.751 1.00 0.00 C ATOM 1333 C ALA A 873 -14.902 0.240 1.779 1.00 0.00 C ATOM 1334 O ALA A 873 -16.007 -0.222 1.507 1.00 0.00 O ATOM 1335 CB ALA A 873 -13.980 2.152 0.450 1.00 0.00 C ATOM 0 H ALA A 873 -12.906 2.427 2.680 1.00 0.00 H new ATOM 0 HA ALA A 873 -15.619 2.256 1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 873 -14.595 1.840 -0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 873 -13.856 3.235 0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 873 -13.003 1.673 0.383 1.00 0.00 H new ATOM 1341 N ALA A 874 -13.860 -0.514 2.118 1.00 0.00 N ATOM 1342 CA ALA A 874 -13.961 -1.962 2.261 1.00 0.00 C ATOM 1343 C ALA A 874 -14.952 -2.317 3.358 1.00 0.00 C ATOM 1344 O ALA A 874 -15.815 -3.169 3.169 1.00 0.00 O ATOM 1345 CB ALA A 874 -12.594 -2.558 2.566 1.00 0.00 C ATOM 0 H ALA A 874 -12.928 -0.141 2.300 1.00 0.00 H new ATOM 0 HA ALA A 874 -14.321 -2.381 1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -12.684 -3.639 2.670 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -11.907 -2.328 1.752 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -12.211 -2.134 3.495 1.00 0.00 H new ATOM 1351 N LYS A 875 -14.829 -1.645 4.497 1.00 0.00 N ATOM 1352 CA LYS A 875 -15.763 -1.822 5.603 1.00 0.00 C ATOM 1353 C LYS A 875 -17.182 -1.501 5.157 1.00 0.00 C ATOM 1354 O LYS A 875 -18.114 -2.264 5.414 1.00 0.00 O ATOM 1355 CB LYS A 875 -15.376 -0.918 6.773 1.00 0.00 C ATOM 1356 CG LYS A 875 -14.069 -1.305 7.445 1.00 0.00 C ATOM 1357 CD LYS A 875 -13.558 -0.193 8.347 1.00 0.00 C ATOM 1358 CE LYS A 875 -14.585 0.198 9.398 1.00 0.00 C ATOM 1359 NZ LYS A 875 -14.132 1.360 10.206 1.00 0.00 N ATOM 0 H LYS A 875 -14.087 -0.969 4.679 1.00 0.00 H new ATOM 0 HA LYS A 875 -15.719 -2.862 5.925 1.00 0.00 H new ATOM 0 HB2 LYS A 875 -15.299 0.109 6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -16.174 -0.939 7.515 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -14.214 -2.213 8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 875 -13.321 -1.532 6.685 1.00 0.00 H new ATOM 0 HD2 LYS A 875 -12.640 -0.516 8.838 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -13.306 0.679 7.743 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -15.530 0.440 8.911 1.00 0.00 H new ATOM 0 HE3 LYS A 875 -14.774 -0.651 10.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 -14.614 1.351 11.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 -13.104 1.301 10.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -14.360 2.242 9.704 1.00 0.00 H new ATOM 1373 N GLY A 876 -17.330 -0.372 4.476 1.00 0.00 N ATOM 1374 CA GLY A 876 -18.632 0.059 4.019 1.00 0.00 C ATOM 1375 C GLY A 876 -19.238 -0.879 2.995 1.00 0.00 C ATOM 1376 O GLY A 876 -20.402 -1.249 3.110 1.00 0.00 O ATOM 0 H GLY A 876 -16.564 0.255 4.232 1.00 0.00 H new ATOM 0 HA2 GLY A 876 -19.304 0.138 4.874 1.00 0.00 H new ATOM 0 HA3 GLY A 876 -18.548 1.056 3.586 1.00 0.00 H new ATOM 1380 N ALA A 877 -18.448 -1.267 1.999 1.00 0.00 N ATOM 1381 CA ALA A 877 -18.925 -2.141 0.931 1.00 0.00 C ATOM 1382 C ALA A 877 -19.226 -3.532 1.458 1.00 0.00 C ATOM 1383 O ALA A 877 -20.055 -4.256 0.907 1.00 0.00 O ATOM 1384 CB ALA A 877 -17.895 -2.219 -0.181 1.00 0.00 C ATOM 0 H ALA A 877 -17.471 -0.989 1.909 1.00 0.00 H new ATOM 0 HA ALA A 877 -19.848 -1.718 0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 877 -18.262 -2.874 -0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 877 -17.721 -1.222 -0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 877 -16.961 -2.617 0.215 1.00 0.00 H new ATOM 1390 N ALA A 878 -18.532 -3.906 2.514 1.00 0.00 N ATOM 1391 CA ALA A 878 -18.738 -5.195 3.139 1.00 0.00 C ATOM 1392 C ALA A 878 -20.002 -5.186 3.985 1.00 0.00 C ATOM 1393 O ALA A 878 -20.958 -5.906 3.700 1.00 0.00 O ATOM 1394 CB ALA A 878 -17.536 -5.562 3.989 1.00 0.00 C ATOM 0 H ALA A 878 -17.817 -3.331 2.959 1.00 0.00 H new ATOM 0 HA ALA A 878 -18.856 -5.944 2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 878 -17.702 -6.534 4.454 1.00 0.00 H new ATOM 0 HB2 ALA A 878 -16.646 -5.608 3.361 1.00 0.00 H new ATOM 0 HB3 ALA A 878 -17.394 -4.808 4.764 1.00 0.00 H new ATOM 1400 N ALA A 879 -20.005 -4.356 5.020 1.00 0.00 N ATOM 1401 CA ALA A 879 -21.109 -4.320 5.966 1.00 0.00 C ATOM 1402 C ALA A 879 -22.396 -3.850 5.297 1.00 0.00 C ATOM 1403 O ALA A 879 -23.492 -4.246 5.694 1.00 0.00 O ATOM 1404 CB ALA A 879 -20.751 -3.452 7.158 1.00 0.00 C ATOM 0 H ALA A 879 -19.253 -3.698 5.225 1.00 0.00 H new ATOM 0 HA ALA A 879 -21.288 -5.333 6.326 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -21.586 -3.434 7.858 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -19.870 -3.860 7.654 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -20.539 -2.438 6.819 1.00 0.00 H new ATOM 1410 N HIS A 880 -22.261 -3.008 4.281 1.00 0.00 N ATOM 1411 CA HIS A 880 -23.386 -2.648 3.428 1.00 0.00 C ATOM 1412 C HIS A 880 -23.241 -3.356 2.082 1.00 0.00 C ATOM 1413 O HIS A 880 -22.693 -2.792 1.135 1.00 0.00 O ATOM 1414 CB HIS A 880 -23.469 -1.131 3.221 1.00 0.00 C ATOM 1415 CG HIS A 880 -23.847 -0.361 4.449 1.00 0.00 C ATOM 1416 ND1 HIS A 880 -23.022 0.571 5.043 1.00 0.00 N ATOM 1417 CD2 HIS A 880 -24.986 -0.367 5.180 1.00 0.00 C ATOM 1418 CE1 HIS A 880 -23.636 1.098 6.083 1.00 0.00 C ATOM 1419 NE2 HIS A 880 -24.831 0.548 6.189 1.00 0.00 N ATOM 0 H HIS A 880 -21.381 -2.560 4.027 1.00 0.00 H new ATOM 0 HA HIS A 880 -24.308 -2.964 3.916 1.00 0.00 H new ATOM 0 HB2 HIS A 880 -22.504 -0.772 2.864 1.00 0.00 H new ATOM 0 HB3 HIS A 880 -24.197 -0.922 2.437 1.00 0.00 H new ATOM 0 HD2 HIS A 880 -25.857 -0.980 5.001 1.00 0.00 H new ATOM 0 HE1 HIS A 880 -23.229 1.854 6.739 1.00 0.00 H new ATOM 0 HE2 HIS A 880 -25.525 0.768 6.904 1.00 0.00 H new ATOM 1427 N PRO A 881 -23.721 -4.609 1.989 1.00 0.00 N ATOM 1428 CA PRO A 881 -23.471 -5.472 0.831 1.00 0.00 C ATOM 1429 C PRO A 881 -24.148 -4.964 -0.442 1.00 0.00 C ATOM 1430 O PRO A 881 -23.492 -4.681 -1.444 1.00 0.00 O ATOM 1431 CB PRO A 881 -24.077 -6.824 1.237 1.00 0.00 C ATOM 1432 CG PRO A 881 -24.315 -6.729 2.704 1.00 0.00 C ATOM 1433 CD PRO A 881 -24.555 -5.280 2.992 1.00 0.00 C ATOM 0 HA PRO A 881 -22.407 -5.515 0.597 1.00 0.00 H new ATOM 0 HB2 PRO A 881 -25.006 -7.015 0.700 1.00 0.00 H new ATOM 0 HB3 PRO A 881 -23.399 -7.644 1.002 1.00 0.00 H new ATOM 0 HG2 PRO A 881 -25.173 -7.333 3.000 1.00 0.00 H new ATOM 0 HG3 PRO A 881 -23.456 -7.101 3.263 1.00 0.00 H new ATOM 0 HD2 PRO A 881 -25.607 -5.015 2.886 1.00 0.00 H new ATOM 0 HD3 PRO A 881 -24.260 -5.015 4.007 1.00 0.00 H new ATOM 1441 N ASP A 882 -25.469 -4.817 -0.376 1.00 0.00 N ATOM 1442 CA ASP A 882 -26.274 -4.462 -1.547 1.00 0.00 C ATOM 1443 C ASP A 882 -26.119 -2.994 -1.913 1.00 0.00 C ATOM 1444 O ASP A 882 -26.672 -2.532 -2.911 1.00 0.00 O ATOM 1445 CB ASP A 882 -27.755 -4.757 -1.300 1.00 0.00 C ATOM 1446 CG ASP A 882 -28.034 -6.223 -1.066 1.00 0.00 C ATOM 1447 OD1 ASP A 882 -27.965 -6.666 0.098 1.00 0.00 O ATOM 1448 OD2 ASP A 882 -28.304 -6.943 -2.049 1.00 0.00 O ATOM 0 H ASP A 882 -26.009 -4.939 0.481 1.00 0.00 H new ATOM 0 HA ASP A 882 -25.910 -5.071 -2.375 1.00 0.00 H new ATOM 0 HB2 ASP A 882 -28.094 -4.186 -0.436 1.00 0.00 H new ATOM 0 HB3 ASP A 882 -28.336 -4.415 -2.156 1.00 0.00 H new ATOM 1453 N SER A 883 -25.378 -2.263 -1.105 1.00 0.00 N ATOM 1454 CA SER A 883 -25.182 -0.849 -1.341 1.00 0.00 C ATOM 1455 C SER A 883 -24.216 -0.628 -2.500 1.00 0.00 C ATOM 1456 O SER A 883 -22.995 -0.684 -2.330 1.00 0.00 O ATOM 1457 CB SER A 883 -24.673 -0.177 -0.070 1.00 0.00 C ATOM 1458 OG SER A 883 -25.547 -0.443 1.015 1.00 0.00 O ATOM 0 H SER A 883 -24.902 -2.626 -0.279 1.00 0.00 H new ATOM 0 HA SER A 883 -26.137 -0.399 -1.612 1.00 0.00 H new ATOM 0 HB2 SER A 883 -23.672 -0.539 0.164 1.00 0.00 H new ATOM 0 HB3 SER A 883 -24.594 0.899 -0.226 1.00 0.00 H new ATOM 0 HG SER A 883 -25.571 0.332 1.614 1.00 0.00 H new ATOM 1464 N GLU A 884 -24.779 -0.389 -3.677 1.00 0.00 N ATOM 1465 CA GLU A 884 -24.000 -0.160 -4.887 1.00 0.00 C ATOM 1466 C GLU A 884 -23.106 1.062 -4.739 1.00 0.00 C ATOM 1467 O GLU A 884 -22.032 1.123 -5.334 1.00 0.00 O ATOM 1468 CB GLU A 884 -24.927 0.011 -6.086 1.00 0.00 C ATOM 1469 CG GLU A 884 -25.728 -1.238 -6.412 1.00 0.00 C ATOM 1470 CD GLU A 884 -24.854 -2.395 -6.847 1.00 0.00 C ATOM 1471 OE1 GLU A 884 -24.558 -2.508 -8.055 1.00 0.00 O ATOM 1472 OE2 GLU A 884 -24.449 -3.196 -5.979 1.00 0.00 O ATOM 0 H GLU A 884 -25.788 -0.348 -3.820 1.00 0.00 H new ATOM 0 HA GLU A 884 -23.364 -1.030 -5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 884 -25.615 0.834 -5.890 1.00 0.00 H new ATOM 0 HB3 GLU A 884 -24.335 0.291 -6.957 1.00 0.00 H new ATOM 0 HG2 GLU A 884 -26.305 -1.533 -5.536 1.00 0.00 H new ATOM 0 HG3 GLU A 884 -26.443 -1.010 -7.203 1.00 0.00 H new ATOM 1479 N GLU A 885 -23.548 2.030 -3.942 1.00 0.00 N ATOM 1480 CA GLU A 885 -22.730 3.197 -3.639 1.00 0.00 C ATOM 1481 C GLU A 885 -21.425 2.759 -2.986 1.00 0.00 C ATOM 1482 O GLU A 885 -20.344 3.178 -3.390 1.00 0.00 O ATOM 1483 CB GLU A 885 -23.472 4.157 -2.710 1.00 0.00 C ATOM 1484 CG GLU A 885 -24.747 4.729 -3.301 1.00 0.00 C ATOM 1485 CD GLU A 885 -25.422 5.707 -2.367 1.00 0.00 C ATOM 1486 OE1 GLU A 885 -26.239 5.268 -1.526 1.00 0.00 O ATOM 1487 OE2 GLU A 885 -25.128 6.914 -2.454 1.00 0.00 O ATOM 0 H GLU A 885 -24.465 2.029 -3.496 1.00 0.00 H new ATOM 0 HA GLU A 885 -22.515 3.716 -4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 885 -23.715 3.635 -1.785 1.00 0.00 H new ATOM 0 HB3 GLU A 885 -22.806 4.979 -2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 885 -24.517 5.228 -4.242 1.00 0.00 H new ATOM 0 HG3 GLU A 885 -25.435 3.916 -3.532 1.00 0.00 H new ATOM 1494 N GLN A 886 -21.542 1.888 -1.991 1.00 0.00 N ATOM 1495 CA GLN A 886 -20.383 1.366 -1.281 1.00 0.00 C ATOM 1496 C GLN A 886 -19.537 0.501 -2.205 1.00 0.00 C ATOM 1497 O GLN A 886 -18.309 0.574 -2.185 1.00 0.00 O ATOM 1498 CB GLN A 886 -20.824 0.551 -0.068 1.00 0.00 C ATOM 1499 CG GLN A 886 -21.552 1.369 0.985 1.00 0.00 C ATOM 1500 CD GLN A 886 -20.685 2.458 1.587 1.00 0.00 C ATOM 1501 OE1 GLN A 886 -21.182 3.502 2.001 1.00 0.00 O ATOM 1502 NE2 GLN A 886 -19.383 2.226 1.644 1.00 0.00 N ATOM 0 H GLN A 886 -22.435 1.527 -1.656 1.00 0.00 H new ATOM 0 HA GLN A 886 -19.783 2.210 -0.941 1.00 0.00 H new ATOM 0 HB2 GLN A 886 -21.475 -0.257 -0.402 1.00 0.00 H new ATOM 0 HB3 GLN A 886 -19.948 0.088 0.386 1.00 0.00 H new ATOM 0 HG2 GLN A 886 -22.438 1.821 0.539 1.00 0.00 H new ATOM 0 HG3 GLN A 886 -21.898 0.706 1.778 1.00 0.00 H new ATOM 0 HE21 GLN A 886 -19.006 1.347 1.290 1.00 0.00 H new ATOM 0 HE22 GLN A 886 -18.757 2.926 2.042 1.00 0.00 H new ATOM 1511 N GLN A 887 -20.208 -0.316 -3.010 1.00 0.00 N ATOM 1512 CA GLN A 887 -19.535 -1.163 -3.987 1.00 0.00 C ATOM 1513 C GLN A 887 -18.692 -0.318 -4.936 1.00 0.00 C ATOM 1514 O GLN A 887 -17.506 -0.581 -5.133 1.00 0.00 O ATOM 1515 CB GLN A 887 -20.560 -1.979 -4.782 1.00 0.00 C ATOM 1516 CG GLN A 887 -21.330 -2.982 -3.940 1.00 0.00 C ATOM 1517 CD GLN A 887 -20.440 -4.068 -3.364 1.00 0.00 C ATOM 1518 OE1 GLN A 887 -19.423 -4.428 -3.953 1.00 0.00 O ATOM 1519 NE2 GLN A 887 -20.820 -4.599 -2.214 1.00 0.00 N ATOM 0 H GLN A 887 -21.224 -0.409 -3.004 1.00 0.00 H new ATOM 0 HA GLN A 887 -18.878 -1.848 -3.452 1.00 0.00 H new ATOM 0 HB2 GLN A 887 -21.267 -1.297 -5.254 1.00 0.00 H new ATOM 0 HB3 GLN A 887 -20.046 -2.510 -5.583 1.00 0.00 H new ATOM 0 HG2 GLN A 887 -21.831 -2.458 -3.126 1.00 0.00 H new ATOM 0 HG3 GLN A 887 -22.108 -3.441 -4.550 1.00 0.00 H new ATOM 0 HE21 GLN A 887 -21.671 -4.271 -1.758 1.00 0.00 H new ATOM 0 HE22 GLN A 887 -20.262 -5.336 -1.783 1.00 0.00 H new ATOM 1528 N GLN A 888 -19.315 0.713 -5.502 1.00 0.00 N ATOM 1529 CA GLN A 888 -18.637 1.629 -6.414 1.00 0.00 C ATOM 1530 C GLN A 888 -17.442 2.288 -5.731 1.00 0.00 C ATOM 1531 O GLN A 888 -16.336 2.300 -6.271 1.00 0.00 O ATOM 1532 CB GLN A 888 -19.618 2.702 -6.899 1.00 0.00 C ATOM 1533 CG GLN A 888 -19.017 3.689 -7.889 1.00 0.00 C ATOM 1534 CD GLN A 888 -18.600 3.033 -9.192 1.00 0.00 C ATOM 1535 OE1 GLN A 888 -19.190 2.040 -9.623 1.00 0.00 O ATOM 1536 NE2 GLN A 888 -17.580 3.585 -9.827 1.00 0.00 N ATOM 0 H GLN A 888 -20.298 0.936 -5.342 1.00 0.00 H new ATOM 0 HA GLN A 888 -18.273 1.059 -7.269 1.00 0.00 H new ATOM 0 HB2 GLN A 888 -20.474 2.213 -7.364 1.00 0.00 H new ATOM 0 HB3 GLN A 888 -19.994 3.252 -6.036 1.00 0.00 H new ATOM 0 HG2 GLN A 888 -19.743 4.474 -8.099 1.00 0.00 H new ATOM 0 HG3 GLN A 888 -18.150 4.170 -7.435 1.00 0.00 H new ATOM 0 HE21 GLN A 888 -17.120 4.407 -9.435 1.00 0.00 H new ATOM 0 HE22 GLN A 888 -17.254 3.189 -10.709 1.00 0.00 H new ATOM 1545 N ARG A 889 -17.674 2.814 -4.531 1.00 0.00 N ATOM 1546 CA ARG A 889 -16.634 3.500 -3.771 1.00 0.00 C ATOM 1547 C ARG A 889 -15.437 2.593 -3.519 1.00 0.00 C ATOM 1548 O ARG A 889 -14.292 3.025 -3.632 1.00 0.00 O ATOM 1549 CB ARG A 889 -17.191 4.011 -2.443 1.00 0.00 C ATOM 1550 CG ARG A 889 -18.184 5.146 -2.604 1.00 0.00 C ATOM 1551 CD ARG A 889 -18.873 5.477 -1.293 1.00 0.00 C ATOM 1552 NE ARG A 889 -19.822 6.578 -1.445 1.00 0.00 N ATOM 1553 CZ ARG A 889 -21.024 6.613 -0.869 1.00 0.00 C ATOM 1554 NH1 ARG A 889 -21.421 5.619 -0.080 1.00 0.00 N ATOM 1555 NH2 ARG A 889 -21.830 7.645 -1.080 1.00 0.00 N ATOM 0 H ARG A 889 -18.579 2.777 -4.062 1.00 0.00 H new ATOM 0 HA ARG A 889 -16.296 4.348 -4.367 1.00 0.00 H new ATOM 0 HB2 ARG A 889 -17.674 3.187 -1.919 1.00 0.00 H new ATOM 0 HB3 ARG A 889 -16.365 4.347 -1.816 1.00 0.00 H new ATOM 0 HG2 ARG A 889 -17.669 6.031 -2.978 1.00 0.00 H new ATOM 0 HG3 ARG A 889 -18.931 4.873 -3.349 1.00 0.00 H new ATOM 0 HD2 ARG A 889 -19.395 4.595 -0.923 1.00 0.00 H new ATOM 0 HD3 ARG A 889 -18.125 5.741 -0.545 1.00 0.00 H new ATOM 0 HE ARG A 889 -19.548 7.369 -2.028 1.00 0.00 H new ATOM 0 HH11 ARG A 889 -20.805 4.824 0.088 1.00 0.00 H new ATOM 0 HH12 ARG A 889 -22.342 5.652 0.358 1.00 0.00 H new ATOM 0 HH21 ARG A 889 -21.530 8.411 -1.683 1.00 0.00 H new ATOM 0 HH22 ARG A 889 -22.750 7.672 -0.640 1.00 0.00 H new ATOM 1569 N LEU A 890 -15.703 1.334 -3.190 1.00 0.00 N ATOM 1570 CA LEU A 890 -14.633 0.376 -2.950 1.00 0.00 C ATOM 1571 C LEU A 890 -13.825 0.144 -4.219 1.00 0.00 C ATOM 1572 O LEU A 890 -12.599 0.111 -4.179 1.00 0.00 O ATOM 1573 CB LEU A 890 -15.185 -0.951 -2.430 1.00 0.00 C ATOM 1574 CG LEU A 890 -14.127 -2.028 -2.169 1.00 0.00 C ATOM 1575 CD1 LEU A 890 -13.101 -1.543 -1.157 1.00 0.00 C ATOM 1576 CD2 LEU A 890 -14.780 -3.309 -1.684 1.00 0.00 C ATOM 0 H LEU A 890 -16.644 0.956 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 890 -13.978 0.796 -2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -15.729 -0.764 -1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -15.906 -1.336 -3.151 1.00 0.00 H new ATOM 0 HG LEU A 890 -13.613 -2.233 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 890 -12.360 -2.324 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 890 -12.606 -0.650 -1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 890 -13.600 -1.306 -0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 890 -14.013 -4.063 -1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 890 -15.321 -3.114 -0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 890 -15.475 -3.672 -2.441 1.00 0.00 H new ATOM 1588 N ARG A 891 -14.515 -0.001 -5.346 1.00 0.00 N ATOM 1589 CA ARG A 891 -13.847 -0.202 -6.629 1.00 0.00 C ATOM 1590 C ARG A 891 -12.898 0.958 -6.916 1.00 0.00 C ATOM 1591 O ARG A 891 -11.781 0.766 -7.393 1.00 0.00 O ATOM 1592 CB ARG A 891 -14.874 -0.317 -7.759 1.00 0.00 C ATOM 1593 CG ARG A 891 -15.901 -1.416 -7.544 1.00 0.00 C ATOM 1594 CD ARG A 891 -17.006 -1.366 -8.588 1.00 0.00 C ATOM 1595 NE ARG A 891 -18.147 -2.200 -8.211 1.00 0.00 N ATOM 1596 CZ ARG A 891 -19.357 -2.107 -8.761 1.00 0.00 C ATOM 1597 NH1 ARG A 891 -19.576 -1.278 -9.775 1.00 0.00 N ATOM 1598 NH2 ARG A 891 -20.349 -2.860 -8.311 1.00 0.00 N ATOM 0 H ARG A 891 -15.534 0.017 -5.398 1.00 0.00 H new ATOM 0 HA ARG A 891 -13.276 -1.129 -6.575 1.00 0.00 H new ATOM 0 HB2 ARG A 891 -15.392 0.636 -7.865 1.00 0.00 H new ATOM 0 HB3 ARG A 891 -14.350 -0.501 -8.697 1.00 0.00 H new ATOM 0 HG2 ARG A 891 -15.408 -2.387 -7.582 1.00 0.00 H new ATOM 0 HG3 ARG A 891 -16.336 -1.318 -6.549 1.00 0.00 H new ATOM 0 HD2 ARG A 891 -17.336 -0.336 -8.719 1.00 0.00 H new ATOM 0 HD3 ARG A 891 -16.614 -1.699 -9.549 1.00 0.00 H new ATOM 0 HE ARG A 891 -18.007 -2.898 -7.480 1.00 0.00 H new ATOM 0 HH11 ARG A 891 -18.814 -0.706 -10.139 1.00 0.00 H new ATOM 0 HH12 ARG A 891 -20.506 -1.214 -10.190 1.00 0.00 H new ATOM 0 HH21 ARG A 891 -20.187 -3.511 -7.543 1.00 0.00 H new ATOM 0 HH22 ARG A 891 -21.275 -2.789 -8.732 1.00 0.00 H new ATOM 1612 N GLU A 892 -13.352 2.164 -6.604 1.00 0.00 N ATOM 1613 CA GLU A 892 -12.567 3.366 -6.839 1.00 0.00 C ATOM 1614 C GLU A 892 -11.416 3.486 -5.839 1.00 0.00 C ATOM 1615 O GLU A 892 -10.289 3.815 -6.216 1.00 0.00 O ATOM 1616 CB GLU A 892 -13.465 4.600 -6.754 1.00 0.00 C ATOM 1617 CG GLU A 892 -14.644 4.554 -7.711 1.00 0.00 C ATOM 1618 CD GLU A 892 -15.562 5.745 -7.562 1.00 0.00 C ATOM 1619 OE1 GLU A 892 -16.350 5.776 -6.594 1.00 0.00 O ATOM 1620 OE2 GLU A 892 -15.508 6.657 -8.409 1.00 0.00 O ATOM 0 H GLU A 892 -14.266 2.335 -6.185 1.00 0.00 H new ATOM 0 HA GLU A 892 -12.137 3.298 -7.838 1.00 0.00 H new ATOM 0 HB2 GLU A 892 -13.838 4.700 -5.735 1.00 0.00 H new ATOM 0 HB3 GLU A 892 -12.870 5.489 -6.964 1.00 0.00 H new ATOM 0 HG2 GLU A 892 -14.274 4.511 -8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 892 -15.211 3.639 -7.539 1.00 0.00 H new ATOM 1627 N ALA A 893 -11.701 3.214 -4.572 1.00 0.00 N ATOM 1628 CA ALA A 893 -10.707 3.373 -3.515 1.00 0.00 C ATOM 1629 C ALA A 893 -9.654 2.274 -3.556 1.00 0.00 C ATOM 1630 O ALA A 893 -8.471 2.545 -3.377 1.00 0.00 O ATOM 1631 CB ALA A 893 -11.376 3.415 -2.149 1.00 0.00 C ATOM 0 H ALA A 893 -12.610 2.883 -4.250 1.00 0.00 H new ATOM 0 HA ALA A 893 -10.200 4.322 -3.688 1.00 0.00 H new ATOM 0 HB1 ALA A 893 -10.617 3.534 -1.376 1.00 0.00 H new ATOM 0 HB2 ALA A 893 -12.069 4.255 -2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 893 -11.921 2.486 -1.982 1.00 0.00 H new ATOM 1637 N ALA A 894 -10.080 1.040 -3.802 1.00 0.00 N ATOM 1638 CA ALA A 894 -9.161 -0.095 -3.827 1.00 0.00 C ATOM 1639 C ALA A 894 -8.133 0.057 -4.935 1.00 0.00 C ATOM 1640 O ALA A 894 -6.930 -0.069 -4.700 1.00 0.00 O ATOM 1641 CB ALA A 894 -9.915 -1.403 -3.994 1.00 0.00 C ATOM 0 H ALA A 894 -11.054 0.799 -3.987 1.00 0.00 H new ATOM 0 HA ALA A 894 -8.639 -0.114 -2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 894 -9.207 -2.232 -4.009 1.00 0.00 H new ATOM 0 HB2 ALA A 894 -10.607 -1.533 -3.162 1.00 0.00 H new ATOM 0 HB3 ALA A 894 -10.472 -1.385 -4.930 1.00 0.00 H new ATOM 1647 N GLU A 895 -8.606 0.337 -6.139 1.00 0.00 N ATOM 1648 CA GLU A 895 -7.717 0.505 -7.276 1.00 0.00 C ATOM 1649 C GLU A 895 -6.878 1.768 -7.116 1.00 0.00 C ATOM 1650 O GLU A 895 -5.755 1.840 -7.611 1.00 0.00 O ATOM 1651 CB GLU A 895 -8.509 0.530 -8.585 1.00 0.00 C ATOM 1652 CG GLU A 895 -9.327 -0.732 -8.801 1.00 0.00 C ATOM 1653 CD GLU A 895 -9.819 -0.884 -10.223 1.00 0.00 C ATOM 1654 OE1 GLU A 895 -10.820 -0.225 -10.582 1.00 0.00 O ATOM 1655 OE2 GLU A 895 -9.199 -1.639 -10.997 1.00 0.00 O ATOM 0 H GLU A 895 -9.597 0.452 -6.353 1.00 0.00 H new ATOM 0 HA GLU A 895 -7.039 -0.348 -7.313 1.00 0.00 H new ATOM 0 HB2 GLU A 895 -9.174 1.393 -8.586 1.00 0.00 H new ATOM 0 HB3 GLU A 895 -7.819 0.658 -9.419 1.00 0.00 H new ATOM 0 HG2 GLU A 895 -8.722 -1.600 -8.538 1.00 0.00 H new ATOM 0 HG3 GLU A 895 -10.183 -0.723 -8.126 1.00 0.00 H new ATOM 1662 N GLY A 896 -7.419 2.754 -6.408 1.00 0.00 N ATOM 1663 CA GLY A 896 -6.661 3.953 -6.098 1.00 0.00 C ATOM 1664 C GLY A 896 -5.576 3.680 -5.070 1.00 0.00 C ATOM 1665 O GLY A 896 -4.475 4.224 -5.161 1.00 0.00 O ATOM 0 H GLY A 896 -8.371 2.744 -6.042 1.00 0.00 H new ATOM 0 HA2 GLY A 896 -6.209 4.344 -7.010 1.00 0.00 H new ATOM 0 HA3 GLY A 896 -7.335 4.722 -5.721 1.00 0.00 H new ATOM 1669 N LEU A 897 -5.897 2.840 -4.090 1.00 0.00 N ATOM 1670 CA LEU A 897 -4.926 2.382 -3.102 1.00 0.00 C ATOM 1671 C LEU A 897 -3.830 1.578 -3.797 1.00 0.00 C ATOM 1672 O LEU A 897 -2.637 1.794 -3.562 1.00 0.00 O ATOM 1673 CB LEU A 897 -5.649 1.547 -2.021 1.00 0.00 C ATOM 1674 CG LEU A 897 -4.791 0.945 -0.892 1.00 0.00 C ATOM 1675 CD1 LEU A 897 -4.177 -0.377 -1.321 1.00 0.00 C ATOM 1676 CD2 LEU A 897 -3.705 1.915 -0.450 1.00 0.00 C ATOM 0 H LEU A 897 -6.834 2.459 -3.959 1.00 0.00 H new ATOM 0 HA LEU A 897 -4.456 3.234 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 897 -6.411 2.178 -1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 897 -6.169 0.729 -2.520 1.00 0.00 H new ATOM 0 HG LEU A 897 -5.448 0.760 -0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 897 -3.576 -0.781 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 897 -4.970 -1.082 -1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 897 -3.544 -0.218 -2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 897 -3.116 1.463 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 897 -3.056 2.144 -1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 897 -4.164 2.834 -0.085 1.00 0.00 H new ATOM 1688 N ARG A 898 -4.244 0.663 -4.663 1.00 0.00 N ATOM 1689 CA ARG A 898 -3.311 -0.115 -5.464 1.00 0.00 C ATOM 1690 C ARG A 898 -2.433 0.815 -6.295 1.00 0.00 C ATOM 1691 O ARG A 898 -1.213 0.672 -6.322 1.00 0.00 O ATOM 1692 CB ARG A 898 -4.075 -1.075 -6.378 1.00 0.00 C ATOM 1693 CG ARG A 898 -3.178 -1.977 -7.207 1.00 0.00 C ATOM 1694 CD ARG A 898 -3.989 -2.871 -8.127 1.00 0.00 C ATOM 1695 NE ARG A 898 -4.755 -2.098 -9.100 1.00 0.00 N ATOM 1696 CZ ARG A 898 -5.977 -2.420 -9.517 1.00 0.00 C ATOM 1697 NH1 ARG A 898 -6.581 -3.508 -9.057 1.00 0.00 N ATOM 1698 NH2 ARG A 898 -6.587 -1.649 -10.405 1.00 0.00 N ATOM 0 H ARG A 898 -5.226 0.441 -4.829 1.00 0.00 H new ATOM 0 HA ARG A 898 -2.675 -0.697 -4.797 1.00 0.00 H new ATOM 0 HB2 ARG A 898 -4.734 -1.694 -5.769 1.00 0.00 H new ATOM 0 HB3 ARG A 898 -4.711 -0.496 -7.048 1.00 0.00 H new ATOM 0 HG2 ARG A 898 -2.494 -1.368 -7.799 1.00 0.00 H new ATOM 0 HG3 ARG A 898 -2.567 -2.592 -6.546 1.00 0.00 H new ATOM 0 HD2 ARG A 898 -3.321 -3.554 -8.651 1.00 0.00 H new ATOM 0 HD3 ARG A 898 -4.668 -3.482 -7.533 1.00 0.00 H new ATOM 0 HE ARG A 898 -4.326 -1.257 -9.485 1.00 0.00 H new ATOM 0 HH11 ARG A 898 -6.109 -4.105 -8.378 1.00 0.00 H new ATOM 0 HH12 ARG A 898 -7.518 -3.747 -9.382 1.00 0.00 H new ATOM 0 HH21 ARG A 898 -6.120 -0.816 -10.764 1.00 0.00 H new ATOM 0 HH22 ARG A 898 -7.524 -1.888 -10.730 1.00 0.00 H new ATOM 1712 N MET A 899 -3.071 1.777 -6.949 1.00 0.00 N ATOM 1713 CA MET A 899 -2.380 2.771 -7.763 1.00 0.00 C ATOM 1714 C MET A 899 -1.363 3.558 -6.936 1.00 0.00 C ATOM 1715 O MET A 899 -0.217 3.730 -7.352 1.00 0.00 O ATOM 1716 CB MET A 899 -3.409 3.716 -8.383 1.00 0.00 C ATOM 1717 CG MET A 899 -2.818 4.882 -9.152 1.00 0.00 C ATOM 1718 SD MET A 899 -4.093 5.914 -9.899 1.00 0.00 S ATOM 1719 CE MET A 899 -3.099 7.230 -10.595 1.00 0.00 C ATOM 0 H MET A 899 -4.084 1.891 -6.930 1.00 0.00 H new ATOM 0 HA MET A 899 -1.832 2.257 -8.552 1.00 0.00 H new ATOM 0 HB2 MET A 899 -4.050 3.144 -9.054 1.00 0.00 H new ATOM 0 HB3 MET A 899 -4.047 4.107 -7.590 1.00 0.00 H new ATOM 0 HG2 MET A 899 -2.209 5.487 -8.481 1.00 0.00 H new ATOM 0 HG3 MET A 899 -2.155 4.504 -9.931 1.00 0.00 H new ATOM 0 HE1 MET A 899 -3.747 7.951 -11.093 1.00 0.00 H new ATOM 0 HE2 MET A 899 -2.546 7.728 -9.799 1.00 0.00 H new ATOM 0 HE3 MET A 899 -2.398 6.813 -11.318 1.00 0.00 H new ATOM 1729 N ALA A 900 -1.788 4.027 -5.765 1.00 0.00 N ATOM 1730 CA ALA A 900 -0.920 4.797 -4.880 1.00 0.00 C ATOM 1731 C ALA A 900 0.283 3.972 -4.445 1.00 0.00 C ATOM 1732 O ALA A 900 1.422 4.446 -4.476 1.00 0.00 O ATOM 1733 CB ALA A 900 -1.693 5.280 -3.662 1.00 0.00 C ATOM 0 H ALA A 900 -2.733 3.886 -5.407 1.00 0.00 H new ATOM 0 HA ALA A 900 -0.560 5.664 -5.433 1.00 0.00 H new ATOM 0 HB1 ALA A 900 -1.030 5.852 -3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 900 -2.520 5.912 -3.984 1.00 0.00 H new ATOM 0 HB3 ALA A 900 -2.084 4.422 -3.115 1.00 0.00 H new ATOM 1739 N THR A 901 0.023 2.733 -4.051 1.00 0.00 N ATOM 1740 CA THR A 901 1.077 1.830 -3.617 1.00 0.00 C ATOM 1741 C THR A 901 2.006 1.479 -4.776 1.00 0.00 C ATOM 1742 O THR A 901 3.226 1.470 -4.625 1.00 0.00 O ATOM 1743 CB THR A 901 0.480 0.537 -3.038 1.00 0.00 C ATOM 1744 OG1 THR A 901 -0.477 0.857 -2.022 1.00 0.00 O ATOM 1745 CG2 THR A 901 1.571 -0.348 -2.457 1.00 0.00 C ATOM 0 H THR A 901 -0.914 2.330 -4.023 1.00 0.00 H new ATOM 0 HA THR A 901 1.650 2.341 -2.843 1.00 0.00 H new ATOM 0 HB THR A 901 -0.013 -0.007 -3.844 1.00 0.00 H new ATOM 0 HG1 THR A 901 -1.299 1.189 -2.440 1.00 0.00 H new ATOM 0 HG21 THR A 901 1.125 -1.257 -2.053 1.00 0.00 H new ATOM 0 HG22 THR A 901 2.283 -0.610 -3.240 1.00 0.00 H new ATOM 0 HG23 THR A 901 2.088 0.187 -1.661 1.00 0.00 H new ATOM 1753 N ASN A 902 1.413 1.197 -5.930 1.00 0.00 N ATOM 1754 CA ASN A 902 2.165 0.863 -7.131 1.00 0.00 C ATOM 1755 C ASN A 902 3.116 2.008 -7.481 1.00 0.00 C ATOM 1756 O ASN A 902 4.292 1.794 -7.760 1.00 0.00 O ATOM 1757 CB ASN A 902 1.205 0.610 -8.301 1.00 0.00 C ATOM 1758 CG ASN A 902 1.842 -0.163 -9.448 1.00 0.00 C ATOM 1759 OD1 ASN A 902 3.057 -0.142 -9.641 1.00 0.00 O ATOM 1760 ND2 ASN A 902 1.016 -0.845 -10.225 1.00 0.00 N ATOM 0 H ASN A 902 0.401 1.194 -6.058 1.00 0.00 H new ATOM 0 HA ASN A 902 2.744 -0.042 -6.946 1.00 0.00 H new ATOM 0 HB2 ASN A 902 0.338 0.058 -7.938 1.00 0.00 H new ATOM 0 HB3 ASN A 902 0.840 1.566 -8.675 1.00 0.00 H new ATOM 0 HD21 ASN A 902 1.381 -1.377 -11.015 1.00 0.00 H new ATOM 0 HD22 ASN A 902 0.014 -0.839 -10.034 1.00 0.00 H new ATOM 1767 N ALA A 903 2.594 3.230 -7.438 1.00 0.00 N ATOM 1768 CA ALA A 903 3.393 4.414 -7.719 1.00 0.00 C ATOM 1769 C ALA A 903 4.510 4.577 -6.694 1.00 0.00 C ATOM 1770 O ALA A 903 5.649 4.885 -7.047 1.00 0.00 O ATOM 1771 CB ALA A 903 2.512 5.652 -7.748 1.00 0.00 C ATOM 0 H ALA A 903 1.619 3.425 -7.211 1.00 0.00 H new ATOM 0 HA ALA A 903 3.852 4.289 -8.700 1.00 0.00 H new ATOM 0 HB1 ALA A 903 3.124 6.529 -7.959 1.00 0.00 H new ATOM 0 HB2 ALA A 903 1.755 5.542 -8.525 1.00 0.00 H new ATOM 0 HB3 ALA A 903 2.024 5.774 -6.781 1.00 0.00 H new ATOM 1777 N ALA A 904 4.181 4.354 -5.424 1.00 0.00 N ATOM 1778 CA ALA A 904 5.169 4.427 -4.351 1.00 0.00 C ATOM 1779 C ALA A 904 6.241 3.359 -4.538 1.00 0.00 C ATOM 1780 O ALA A 904 7.396 3.545 -4.154 1.00 0.00 O ATOM 1781 CB ALA A 904 4.493 4.275 -2.997 1.00 0.00 C ATOM 0 H ALA A 904 3.238 4.121 -5.113 1.00 0.00 H new ATOM 0 HA ALA A 904 5.649 5.405 -4.389 1.00 0.00 H new ATOM 0 HB1 ALA A 904 5.243 4.332 -2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 904 3.764 5.074 -2.863 1.00 0.00 H new ATOM 0 HB3 ALA A 904 3.988 3.310 -2.949 1.00 0.00 H new ATOM 1787 N ALA A 905 5.843 2.248 -5.144 1.00 0.00 N ATOM 1788 CA ALA A 905 6.760 1.165 -5.462 1.00 0.00 C ATOM 1789 C ALA A 905 7.826 1.631 -6.452 1.00 0.00 C ATOM 1790 O ALA A 905 9.001 1.280 -6.330 1.00 0.00 O ATOM 1791 CB ALA A 905 5.981 -0.024 -6.016 1.00 0.00 C ATOM 0 H ALA A 905 4.879 2.074 -5.427 1.00 0.00 H new ATOM 0 HA ALA A 905 7.270 0.854 -4.550 1.00 0.00 H new ATOM 0 HB1 ALA A 905 6.672 -0.833 -6.253 1.00 0.00 H new ATOM 0 HB2 ALA A 905 5.262 -0.367 -5.272 1.00 0.00 H new ATOM 0 HB3 ALA A 905 5.451 0.277 -6.920 1.00 0.00 H new ATOM 1797 N GLN A 906 7.414 2.442 -7.423 1.00 0.00 N ATOM 1798 CA GLN A 906 8.345 3.007 -8.398 1.00 0.00 C ATOM 1799 C GLN A 906 9.119 4.177 -7.800 1.00 0.00 C ATOM 1800 O GLN A 906 10.209 4.513 -8.259 1.00 0.00 O ATOM 1801 CB GLN A 906 7.616 3.470 -9.663 1.00 0.00 C ATOM 1802 CG GLN A 906 7.352 2.363 -10.677 1.00 0.00 C ATOM 1803 CD GLN A 906 6.330 1.348 -10.210 1.00 0.00 C ATOM 1804 OE1 GLN A 906 6.672 0.338 -9.593 1.00 0.00 O ATOM 1805 NE2 GLN A 906 5.069 1.603 -10.515 1.00 0.00 N ATOM 0 H GLN A 906 6.443 2.723 -7.556 1.00 0.00 H new ATOM 0 HA GLN A 906 9.045 2.217 -8.668 1.00 0.00 H new ATOM 0 HB2 GLN A 906 6.665 3.918 -9.376 1.00 0.00 H new ATOM 0 HB3 GLN A 906 8.205 4.252 -10.142 1.00 0.00 H new ATOM 0 HG2 GLN A 906 7.009 2.810 -11.610 1.00 0.00 H new ATOM 0 HG3 GLN A 906 8.289 1.850 -10.895 1.00 0.00 H new ATOM 0 HE21 GLN A 906 4.830 2.452 -11.027 1.00 0.00 H new ATOM 0 HE22 GLN A 906 4.335 0.951 -10.238 1.00 0.00 H new ATOM 1814 N ASN A 907 8.548 4.798 -6.773 1.00 0.00 N ATOM 1815 CA ASN A 907 9.187 5.932 -6.108 1.00 0.00 C ATOM 1816 C ASN A 907 10.400 5.486 -5.300 1.00 0.00 C ATOM 1817 O ASN A 907 11.216 6.311 -4.886 1.00 0.00 O ATOM 1818 CB ASN A 907 8.195 6.663 -5.197 1.00 0.00 C ATOM 1819 CG ASN A 907 7.170 7.473 -5.970 1.00 0.00 C ATOM 1820 OD1 ASN A 907 7.444 7.971 -7.063 1.00 0.00 O ATOM 1821 ND2 ASN A 907 5.978 7.612 -5.409 1.00 0.00 N ATOM 0 H ASN A 907 7.643 4.536 -6.382 1.00 0.00 H new ATOM 0 HA ASN A 907 9.522 6.619 -6.885 1.00 0.00 H new ATOM 0 HB2 ASN A 907 7.679 5.934 -4.572 1.00 0.00 H new ATOM 0 HB3 ASN A 907 8.744 7.325 -4.528 1.00 0.00 H new ATOM 0 HD21 ASN A 907 5.250 8.146 -5.884 1.00 0.00 H new ATOM 0 HD22 ASN A 907 5.788 7.185 -4.502 1.00 0.00 H new ATOM 1828 N ALA A 908 10.510 4.180 -5.077 1.00 0.00 N ATOM 1829 CA ALA A 908 11.640 3.614 -4.354 1.00 0.00 C ATOM 1830 C ALA A 908 12.901 3.657 -5.208 1.00 0.00 C ATOM 1831 O ALA A 908 13.124 2.783 -6.050 1.00 0.00 O ATOM 1832 CB ALA A 908 11.337 2.186 -3.928 1.00 0.00 C ATOM 0 H ALA A 908 9.825 3.492 -5.389 1.00 0.00 H new ATOM 0 HA ALA A 908 11.810 4.215 -3.460 1.00 0.00 H new ATOM 0 HB1 ALA A 908 12.192 1.778 -3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 908 10.461 2.178 -3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 908 11.140 1.577 -4.810 1.00 0.00 H new