USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 955 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 92 GLN : amide:sc= -0.687 K(o=-4,f=-7.4!) USER MOD Set 1.2: B 87 HIS :FLIP no HD1:sc= -2.09! C(o=-4.2!,f=-4!) USER MOD Set 1.3: B 90 ASN :FLIP amide:sc= -1.21 X(o=-4.2,f=-4) USER MOD Set 2.1: B 83 MET CE :methyl 163:sc= -0.174 (180deg=-0.64) USER MOD Set 2.2: B 86 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.22) USER MOD Set 3.1: B 58 LYS NZ :NH3+ -135:sc= 1.32 (180deg=-0.00831) USER MOD Set 3.2: B 59 THR OG1 : rot 99:sc= 1.21 USER MOD Set 3.3: B 72 HIS : no HE2:sc= -1.92! C(o=0.61!,f=-8.7!) USER MOD Set 4.1: A 67 LYS NZ :NH3+ -177:sc= 1.25 (180deg=0) USER MOD Set 4.2: A 87 HIS : no HE2:sc= -0.126 K(o=1,f=-9.4!) USER MOD Set 4.3: A 90 ASN : amide:sc= -0.115 K(o=1,f=-0.07) USER MOD Set 5.1: A 58 LYS NZ :NH3+ -117:sc= 1.29 (180deg=0) USER MOD Set 5.2: A 72 HIS : no HE2:sc= -1.21! K(o=0.076!,f=-5.8) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -170:sc= -0.0129 (180deg=-0.133) USER MOD Single : A 51 ASN : amide:sc= 0.443 K(o=0.44,f=-0.072) USER MOD Single : A 53 SER OG : rot 68:sc= 1.29 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0.439 X(o=0.44,f=0) USER MOD Single : A 59 THR OG1 : rot 70:sc= 0.778 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -42:sc= 0.121 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 149:sc= -0.747 (180deg=-1.31) USER MOD Single : A 84 THR OG1 : rot 89:sc= -0.129 USER MOD Single : A 86 LYS NZ :NH3+ 175:sc= 1.34 (180deg=1.18) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 ASN : amide:sc= 0.494 X(o=0.49,f=0) USER MOD Single : B 53 SER OG : rot -95:sc= 1.09 USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 56 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 LYS NZ :NH3+ -159:sc= -0.116 (180deg=-0.524) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 70 SER OG : rot 93:sc= 1.21 USER MOD Single : B 73 SER OG : rot 72:sc= 1.19 USER MOD Single : B 74 LYS NZ :NH3+ -126:sc= 0.00832 (180deg=0) USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 84 THR OG1 : rot 94:sc= 0.0105 USER MOD Single : B 92 GLN : amide:sc= -1.8 K(o=-1.8,f=-5.5!) USER MOD Single : B 95 GLN : amide:sc= -0.728 X(o=-0.73,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 268 N MET A 42 -19.964 3.192 11.621 1.00 0.00 N ATOM 269 CA MET A 42 -19.929 1.952 10.853 1.00 0.00 C ATOM 270 C MET A 42 -18.591 1.735 10.186 1.00 0.00 C ATOM 271 O MET A 42 -18.063 0.619 10.179 1.00 0.00 O ATOM 272 CB MET A 42 -21.021 1.922 9.817 1.00 0.00 C ATOM 273 CG MET A 42 -22.387 1.951 10.423 1.00 0.00 C ATOM 274 SD MET A 42 -22.682 0.570 11.523 1.00 0.00 S ATOM 275 CE MET A 42 -24.295 1.024 12.124 1.00 0.00 C ATOM 0 HA MET A 42 -20.090 1.142 11.565 1.00 0.00 H new ATOM 0 HB2 MET A 42 -20.906 2.775 9.148 1.00 0.00 H new ATOM 0 HB3 MET A 42 -20.916 1.023 9.209 1.00 0.00 H new ATOM 0 HG2 MET A 42 -22.517 2.883 10.973 1.00 0.00 H new ATOM 0 HG3 MET A 42 -23.133 1.944 9.628 1.00 0.00 H new ATOM 0 HE1 MET A 42 -24.645 0.271 12.830 1.00 0.00 H new ATOM 0 HE2 MET A 42 -24.238 1.991 12.623 1.00 0.00 H new ATOM 0 HE3 MET A 42 -24.990 1.088 11.287 1.00 0.00 H new ATOM 285 N GLU A 43 -18.030 2.800 9.637 1.00 0.00 N ATOM 286 CA GLU A 43 -16.736 2.706 8.980 1.00 0.00 C ATOM 287 C GLU A 43 -15.647 2.454 10.011 1.00 0.00 C ATOM 288 O GLU A 43 -14.667 1.805 9.719 1.00 0.00 O ATOM 289 CB GLU A 43 -16.397 3.962 8.163 1.00 0.00 C ATOM 290 CG GLU A 43 -16.249 5.213 8.998 1.00 0.00 C ATOM 291 CD GLU A 43 -15.756 6.389 8.220 1.00 0.00 C ATOM 292 OE1 GLU A 43 -16.570 7.129 7.660 1.00 0.00 O ATOM 293 OE2 GLU A 43 -14.520 6.609 8.162 1.00 0.00 O ATOM 0 H GLU A 43 -18.445 3.732 9.633 1.00 0.00 H new ATOM 0 HA GLU A 43 -16.791 1.870 8.283 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -15.469 3.789 7.617 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -17.179 4.123 7.420 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -17.212 5.460 9.444 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.559 5.014 9.818 1.00 0.00 H new ATOM 300 N LYS A 44 -15.856 2.942 11.234 1.00 0.00 N ATOM 301 CA LYS A 44 -14.881 2.778 12.295 1.00 0.00 C ATOM 302 C LYS A 44 -14.843 1.306 12.697 1.00 0.00 C ATOM 303 O LYS A 44 -13.770 0.735 12.901 1.00 0.00 O ATOM 304 CB LYS A 44 -15.241 3.708 13.483 1.00 0.00 C ATOM 305 CG LYS A 44 -14.156 3.885 14.570 1.00 0.00 C ATOM 306 CD LYS A 44 -13.987 2.677 15.496 1.00 0.00 C ATOM 307 CE LYS A 44 -15.210 2.447 16.385 1.00 0.00 C ATOM 308 NZ LYS A 44 -15.454 3.573 17.325 1.00 0.00 N ATOM 0 H LYS A 44 -16.695 3.454 11.508 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.885 3.063 11.958 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -15.489 4.692 13.084 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.142 3.321 13.959 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.202 4.092 14.084 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.402 4.759 15.173 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.805 1.786 14.896 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.108 2.824 16.123 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.090 2.306 15.757 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.073 1.527 16.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.183 3.298 18.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.573 3.804 17.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.778 4.406 16.793 1.00 0.00 H new ATOM 322 N ARG A 45 -16.022 0.704 12.766 1.00 0.00 N ATOM 323 CA ARG A 45 -16.178 -0.717 13.079 1.00 0.00 C ATOM 324 C ARG A 45 -15.494 -1.552 12.000 1.00 0.00 C ATOM 325 O ARG A 45 -14.689 -2.443 12.291 1.00 0.00 O ATOM 326 CB ARG A 45 -17.663 -1.070 13.145 1.00 0.00 C ATOM 327 CG ARG A 45 -18.422 -0.320 14.220 1.00 0.00 C ATOM 328 CD ARG A 45 -19.912 -0.562 14.122 1.00 0.00 C ATOM 329 NE ARG A 45 -20.269 -1.972 14.369 1.00 0.00 N ATOM 330 CZ ARG A 45 -21.451 -2.558 14.077 1.00 0.00 C ATOM 331 NH1 ARG A 45 -22.416 -1.875 13.457 1.00 0.00 N ATOM 332 NH2 ARG A 45 -21.650 -3.842 14.386 1.00 0.00 N ATOM 0 H ARG A 45 -16.906 1.188 12.606 1.00 0.00 H new ATOM 0 HA ARG A 45 -15.719 -0.929 14.045 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -18.120 -0.861 12.178 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -17.765 -2.141 13.321 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -18.066 -0.632 15.202 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -18.220 0.747 14.132 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -20.429 0.073 14.842 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -20.261 -0.270 13.132 1.00 0.00 H new ATOM 0 HE ARG A 45 -19.556 -2.560 14.801 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -22.265 -0.900 13.198 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -23.304 -2.328 13.242 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -20.911 -4.377 14.841 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -22.541 -4.287 14.167 1.00 0.00 H new ATOM 346 N ARG A 46 -15.789 -1.203 10.754 1.00 0.00 N ATOM 347 CA ARG A 46 -15.228 -1.866 9.586 1.00 0.00 C ATOM 348 C ARG A 46 -13.709 -1.759 9.603 1.00 0.00 C ATOM 349 O ARG A 46 -13.012 -2.741 9.452 1.00 0.00 O ATOM 350 CB ARG A 46 -15.751 -1.194 8.327 1.00 0.00 C ATOM 351 CG ARG A 46 -15.436 -1.922 7.024 1.00 0.00 C ATOM 352 CD ARG A 46 -15.811 -1.049 5.828 1.00 0.00 C ATOM 353 NE ARG A 46 -17.157 -0.423 5.964 1.00 0.00 N ATOM 354 CZ ARG A 46 -17.753 0.339 5.018 1.00 0.00 C ATOM 355 NH1 ARG A 46 -17.338 0.293 3.759 1.00 0.00 N ATOM 356 NH2 ARG A 46 -18.829 1.057 5.324 1.00 0.00 N ATOM 0 H ARG A 46 -16.431 -0.444 10.525 1.00 0.00 H new ATOM 0 HA ARG A 46 -15.519 -2.916 9.602 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -16.832 -1.088 8.413 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -15.336 -0.188 8.272 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.375 -2.169 6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -15.985 -2.863 6.983 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.062 -0.266 5.708 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.788 -1.654 4.922 1.00 0.00 H new ATOM 0 HE ARG A 46 -17.666 -0.581 6.834 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.565 -0.320 3.499 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -17.792 0.870 3.051 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -19.205 1.033 6.272 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -19.278 1.632 4.611 1.00 0.00 H new ATOM 370 N ARG A 47 -13.225 -0.553 9.817 1.00 0.00 N ATOM 371 CA ARG A 47 -11.809 -0.238 9.824 1.00 0.00 C ATOM 372 C ARG A 47 -11.080 -0.923 10.966 1.00 0.00 C ATOM 373 O ARG A 47 -9.942 -1.356 10.801 1.00 0.00 O ATOM 374 CB ARG A 47 -11.626 1.277 9.810 1.00 0.00 C ATOM 375 CG ARG A 47 -10.210 1.781 9.656 1.00 0.00 C ATOM 376 CD ARG A 47 -10.231 3.269 9.343 1.00 0.00 C ATOM 377 NE ARG A 47 -10.861 3.528 8.028 1.00 0.00 N ATOM 378 CZ ARG A 47 -11.898 4.355 7.795 1.00 0.00 C ATOM 379 NH1 ARG A 47 -12.429 5.070 8.774 1.00 0.00 N ATOM 380 NH2 ARG A 47 -12.389 4.464 6.566 1.00 0.00 N ATOM 0 H ARG A 47 -13.819 0.256 9.995 1.00 0.00 H new ATOM 0 HA ARG A 47 -11.348 -0.635 8.920 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.225 1.686 8.996 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.033 1.679 10.738 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.647 1.599 10.571 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.704 1.238 8.857 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -10.777 3.800 10.122 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.213 3.659 9.345 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.473 3.034 7.224 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -12.053 4.999 9.719 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -13.214 5.692 8.583 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.981 3.923 5.804 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.174 5.089 6.384 1.00 0.00 H new ATOM 394 N ALA A 48 -11.740 -1.061 12.099 1.00 0.00 N ATOM 395 CA ALA A 48 -11.191 -1.793 13.211 1.00 0.00 C ATOM 396 C ALA A 48 -10.992 -3.229 12.785 1.00 0.00 C ATOM 397 O ALA A 48 -9.919 -3.785 12.955 1.00 0.00 O ATOM 398 CB ALA A 48 -12.099 -1.700 14.428 1.00 0.00 C ATOM 0 H ALA A 48 -12.666 -0.669 12.269 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.232 -1.362 13.499 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -11.660 -2.262 15.253 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -12.211 -0.656 14.719 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -13.077 -2.116 14.185 1.00 0.00 H new ATOM 404 N ARG A 49 -12.006 -3.789 12.132 1.00 0.00 N ATOM 405 CA ARG A 49 -11.923 -5.144 11.621 1.00 0.00 C ATOM 406 C ARG A 49 -10.850 -5.265 10.560 1.00 0.00 C ATOM 407 O ARG A 49 -10.189 -6.287 10.475 1.00 0.00 O ATOM 408 CB ARG A 49 -13.266 -5.653 11.097 1.00 0.00 C ATOM 409 CG ARG A 49 -14.293 -5.947 12.173 1.00 0.00 C ATOM 410 CD ARG A 49 -13.785 -7.017 13.137 1.00 0.00 C ATOM 411 NE ARG A 49 -13.408 -8.271 12.447 1.00 0.00 N ATOM 412 CZ ARG A 49 -12.563 -9.201 12.938 1.00 0.00 C ATOM 413 NH1 ARG A 49 -11.969 -9.019 14.125 1.00 0.00 N ATOM 414 NH2 ARG A 49 -12.318 -10.309 12.250 1.00 0.00 N ATOM 0 H ARG A 49 -12.893 -3.321 11.947 1.00 0.00 H new ATOM 0 HA ARG A 49 -11.647 -5.779 12.463 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.678 -4.912 10.412 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.095 -6.561 10.519 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -14.519 -5.034 12.724 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -15.223 -6.280 11.712 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.922 -6.632 13.680 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.557 -7.231 13.876 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.819 -8.445 11.530 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.155 -8.173 14.664 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.331 -9.726 14.490 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.769 -10.459 11.348 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.679 -11.010 12.624 1.00 0.00 H new ATOM 428 N ILE A 50 -10.679 -4.224 9.754 1.00 0.00 N ATOM 429 CA ILE A 50 -9.627 -4.181 8.762 1.00 0.00 C ATOM 430 C ILE A 50 -8.248 -4.347 9.432 1.00 0.00 C ATOM 431 O ILE A 50 -7.519 -5.301 9.139 1.00 0.00 O ATOM 432 CB ILE A 50 -9.683 -2.862 7.944 1.00 0.00 C ATOM 433 CG1 ILE A 50 -10.968 -2.847 7.105 1.00 0.00 C ATOM 434 CG2 ILE A 50 -8.440 -2.706 7.060 1.00 0.00 C ATOM 435 CD1 ILE A 50 -11.252 -1.555 6.388 1.00 0.00 C ATOM 0 H ILE A 50 -11.267 -3.391 9.774 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.779 -5.010 8.071 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.694 -2.014 8.629 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.910 -3.648 6.368 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.811 -3.074 7.757 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.507 -1.774 6.499 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.548 -2.689 7.686 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -8.380 -3.544 6.365 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.180 -1.648 5.825 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -11.348 -0.749 7.115 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.433 -1.331 5.704 1.00 0.00 H new ATOM 447 N ASN A 51 -7.939 -3.461 10.383 1.00 0.00 N ATOM 448 CA ASN A 51 -6.645 -3.502 11.091 1.00 0.00 C ATOM 449 C ASN A 51 -6.473 -4.806 11.832 1.00 0.00 C ATOM 450 O ASN A 51 -5.396 -5.410 11.816 1.00 0.00 O ATOM 451 CB ASN A 51 -6.474 -2.349 12.099 1.00 0.00 C ATOM 452 CG ASN A 51 -6.418 -0.975 11.479 1.00 0.00 C ATOM 453 OD1 ASN A 51 -5.354 -0.508 11.059 1.00 0.00 O ATOM 454 ND2 ASN A 51 -7.528 -0.300 11.453 1.00 0.00 N ATOM 0 H ASN A 51 -8.559 -2.709 10.683 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.885 -3.400 10.316 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.300 -2.379 12.809 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.559 -2.514 12.668 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.540 0.648 11.077 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.388 -0.718 11.809 1.00 0.00 H new ATOM 461 N GLU A 52 -7.522 -5.239 12.484 1.00 0.00 N ATOM 462 CA GLU A 52 -7.480 -6.464 13.260 1.00 0.00 C ATOM 463 C GLU A 52 -7.304 -7.710 12.395 1.00 0.00 C ATOM 464 O GLU A 52 -6.635 -8.661 12.810 1.00 0.00 O ATOM 465 CB GLU A 52 -8.699 -6.591 14.168 1.00 0.00 C ATOM 466 CG GLU A 52 -8.800 -5.476 15.199 1.00 0.00 C ATOM 467 CD GLU A 52 -7.545 -5.354 16.034 1.00 0.00 C ATOM 468 OE1 GLU A 52 -7.358 -6.169 16.969 1.00 0.00 O ATOM 469 OE2 GLU A 52 -6.729 -4.431 15.780 1.00 0.00 O ATOM 0 H GLU A 52 -8.423 -4.762 12.496 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.593 -6.396 13.890 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.601 -6.593 13.556 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.661 -7.551 14.683 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.990 -4.530 14.691 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.652 -5.664 15.852 1.00 0.00 H new ATOM 476 N SER A 53 -7.870 -7.712 11.200 1.00 0.00 N ATOM 477 CA SER A 53 -7.727 -8.853 10.337 1.00 0.00 C ATOM 478 C SER A 53 -6.340 -8.866 9.711 1.00 0.00 C ATOM 479 O SER A 53 -5.715 -9.907 9.630 1.00 0.00 O ATOM 480 CB SER A 53 -8.825 -8.883 9.275 1.00 0.00 C ATOM 481 OG SER A 53 -10.109 -8.889 9.884 1.00 0.00 O ATOM 0 H SER A 53 -8.423 -6.945 10.817 1.00 0.00 H new ATOM 0 HA SER A 53 -7.837 -9.758 10.935 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.730 -8.016 8.622 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.709 -9.768 8.649 1.00 0.00 H new ATOM 0 HG SER A 53 -10.266 -8.028 10.324 1.00 0.00 H new ATOM 487 N LEU A 54 -5.849 -7.690 9.320 1.00 0.00 N ATOM 488 CA LEU A 54 -4.537 -7.556 8.709 1.00 0.00 C ATOM 489 C LEU A 54 -3.447 -7.963 9.717 1.00 0.00 C ATOM 490 O LEU A 54 -2.501 -8.681 9.371 1.00 0.00 O ATOM 491 CB LEU A 54 -4.347 -6.095 8.252 1.00 0.00 C ATOM 492 CG LEU A 54 -3.382 -5.836 7.080 1.00 0.00 C ATOM 493 CD1 LEU A 54 -3.485 -4.393 6.627 1.00 0.00 C ATOM 494 CD2 LEU A 54 -1.934 -6.162 7.424 1.00 0.00 C ATOM 0 H LEU A 54 -6.352 -6.808 9.420 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.458 -8.213 7.843 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.324 -5.699 7.977 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.999 -5.517 9.108 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.682 -6.504 6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.798 -4.222 5.798 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.505 -4.186 6.302 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.226 -3.732 7.455 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.300 -5.960 6.560 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.612 -5.545 8.263 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.853 -7.215 7.695 1.00 0.00 H new ATOM 506 N SER A 55 -3.601 -7.517 10.955 1.00 0.00 N ATOM 507 CA SER A 55 -2.653 -7.823 12.007 1.00 0.00 C ATOM 508 C SER A 55 -2.544 -9.338 12.223 1.00 0.00 C ATOM 509 O SER A 55 -1.448 -9.902 12.133 1.00 0.00 O ATOM 510 CB SER A 55 -3.052 -7.101 13.309 1.00 0.00 C ATOM 511 OG SER A 55 -2.116 -7.324 14.360 1.00 0.00 O ATOM 0 H SER A 55 -4.384 -6.936 11.254 1.00 0.00 H new ATOM 0 HA SER A 55 -1.670 -7.464 11.704 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.133 -6.031 13.118 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.037 -7.444 13.624 1.00 0.00 H new ATOM 0 HG SER A 55 -2.408 -6.847 15.165 1.00 0.00 H new ATOM 517 N GLN A 56 -3.686 -10.001 12.433 1.00 0.00 N ATOM 518 CA GLN A 56 -3.685 -11.434 12.703 1.00 0.00 C ATOM 519 C GLN A 56 -3.260 -12.225 11.470 1.00 0.00 C ATOM 520 O GLN A 56 -2.680 -13.287 11.590 1.00 0.00 O ATOM 521 CB GLN A 56 -5.044 -11.910 13.234 1.00 0.00 C ATOM 522 CG GLN A 56 -6.176 -11.830 12.232 1.00 0.00 C ATOM 523 CD GLN A 56 -7.500 -12.182 12.843 1.00 0.00 C ATOM 524 OE1 GLN A 56 -7.899 -13.337 12.870 1.00 0.00 O ATOM 525 NE2 GLN A 56 -8.193 -11.193 13.334 1.00 0.00 N ATOM 0 H GLN A 56 -4.611 -9.570 12.421 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.950 -11.620 13.486 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.946 -12.942 13.570 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.307 -11.314 14.108 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.224 -10.822 11.821 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.971 -12.504 11.400 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.825 -10.242 13.292 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.103 -11.370 13.760 1.00 0.00 H new ATOM 534 N LEU A 57 -3.541 -11.676 10.303 1.00 0.00 N ATOM 535 CA LEU A 57 -3.141 -12.253 9.029 1.00 0.00 C ATOM 536 C LEU A 57 -1.632 -12.446 9.019 1.00 0.00 C ATOM 537 O LEU A 57 -1.131 -13.563 8.874 1.00 0.00 O ATOM 538 CB LEU A 57 -3.632 -11.304 7.906 1.00 0.00 C ATOM 539 CG LEU A 57 -3.259 -11.594 6.451 1.00 0.00 C ATOM 540 CD1 LEU A 57 -4.373 -11.107 5.533 1.00 0.00 C ATOM 541 CD2 LEU A 57 -1.999 -10.840 6.094 1.00 0.00 C ATOM 0 H LEU A 57 -4.061 -10.804 10.210 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.586 -13.235 8.868 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.720 -11.269 7.962 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.268 -10.304 8.142 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.109 -12.667 6.332 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.107 -11.314 4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.300 -11.624 5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.510 -10.034 5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.733 -11.046 5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.167 -9.770 6.219 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.187 -11.159 6.747 1.00 0.00 H new ATOM 553 N LYS A 58 -0.938 -11.364 9.263 1.00 0.00 N ATOM 554 CA LYS A 58 0.505 -11.345 9.321 1.00 0.00 C ATOM 555 C LYS A 58 1.016 -12.253 10.452 1.00 0.00 C ATOM 556 O LYS A 58 2.006 -12.963 10.282 1.00 0.00 O ATOM 557 CB LYS A 58 0.978 -9.878 9.474 1.00 0.00 C ATOM 558 CG LYS A 58 2.494 -9.633 9.409 1.00 0.00 C ATOM 559 CD LYS A 58 3.194 -9.744 10.762 1.00 0.00 C ATOM 560 CE LYS A 58 2.709 -8.667 11.730 1.00 0.00 C ATOM 561 NZ LYS A 58 3.535 -8.612 12.942 1.00 0.00 N ATOM 0 H LYS A 58 -1.366 -10.453 9.430 1.00 0.00 H new ATOM 0 HA LYS A 58 0.925 -11.744 8.398 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.503 -9.284 8.693 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.613 -9.500 10.429 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.940 -10.350 8.720 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.675 -8.640 8.997 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.009 -10.730 11.189 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.271 -9.653 10.624 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.727 -7.697 11.233 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.673 -8.865 12.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.953 -8.850 13.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.316 -9.294 12.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.922 -7.653 13.055 1.00 0.00 H new ATOM 575 N THR A 59 0.314 -12.243 11.577 1.00 0.00 N ATOM 576 CA THR A 59 0.674 -13.059 12.726 1.00 0.00 C ATOM 577 C THR A 59 0.616 -14.564 12.391 1.00 0.00 C ATOM 578 O THR A 59 1.630 -15.258 12.469 1.00 0.00 O ATOM 579 CB THR A 59 -0.250 -12.763 13.930 1.00 0.00 C ATOM 580 OG1 THR A 59 -0.170 -11.370 14.270 1.00 0.00 O ATOM 581 CG2 THR A 59 0.147 -13.587 15.144 1.00 0.00 C ATOM 0 H THR A 59 -0.518 -11.670 11.718 1.00 0.00 H new ATOM 0 HA THR A 59 1.699 -12.800 12.991 1.00 0.00 H new ATOM 0 HB THR A 59 -1.268 -13.026 13.644 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.593 -10.836 13.565 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.521 -13.357 15.974 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.075 -14.648 14.903 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.172 -13.348 15.426 1.00 0.00 H new ATOM 589 N LEU A 60 -0.550 -15.036 11.964 1.00 0.00 N ATOM 590 CA LEU A 60 -0.755 -16.450 11.697 1.00 0.00 C ATOM 591 C LEU A 60 0.154 -16.964 10.591 1.00 0.00 C ATOM 592 O LEU A 60 0.654 -18.093 10.673 1.00 0.00 O ATOM 593 CB LEU A 60 -2.239 -16.791 11.419 1.00 0.00 C ATOM 594 CG LEU A 60 -3.195 -16.934 12.643 1.00 0.00 C ATOM 595 CD1 LEU A 60 -2.725 -18.019 13.587 1.00 0.00 C ATOM 596 CD2 LEU A 60 -3.385 -15.633 13.402 1.00 0.00 C ATOM 0 H LEU A 60 -1.370 -14.454 11.795 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.477 -16.974 12.611 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.644 -16.017 10.767 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.269 -17.726 10.860 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.164 -17.215 12.231 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.414 -18.092 14.429 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.694 -18.972 13.059 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.728 -17.775 13.954 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.060 -15.797 14.242 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.421 -15.285 13.774 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.810 -14.882 12.736 1.00 0.00 H new ATOM 608 N ILE A 61 0.387 -16.143 9.586 1.00 0.00 N ATOM 609 CA ILE A 61 1.289 -16.497 8.501 1.00 0.00 C ATOM 610 C ILE A 61 2.711 -16.670 9.023 1.00 0.00 C ATOM 611 O ILE A 61 3.304 -17.757 8.910 1.00 0.00 O ATOM 612 CB ILE A 61 1.260 -15.417 7.373 1.00 0.00 C ATOM 613 CG1 ILE A 61 -0.079 -15.440 6.650 1.00 0.00 C ATOM 614 CG2 ILE A 61 2.397 -15.591 6.372 1.00 0.00 C ATOM 615 CD1 ILE A 61 -0.348 -16.738 5.910 1.00 0.00 C ATOM 0 H ILE A 61 -0.037 -15.220 9.496 1.00 0.00 H new ATOM 0 HA ILE A 61 0.950 -17.443 8.079 1.00 0.00 H new ATOM 0 HB ILE A 61 1.396 -14.449 7.856 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.876 -15.272 7.374 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.114 -14.613 5.941 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.332 -14.816 5.609 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.353 -15.511 6.890 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.320 -16.571 5.901 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.319 -16.682 5.419 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.428 -16.898 5.162 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.346 -17.567 6.617 1.00 0.00 H new ATOM 627 N LEU A 62 3.209 -15.637 9.671 1.00 0.00 N ATOM 628 CA LEU A 62 4.577 -15.595 10.149 1.00 0.00 C ATOM 629 C LEU A 62 4.810 -16.737 11.151 1.00 0.00 C ATOM 630 O LEU A 62 5.825 -17.404 11.109 1.00 0.00 O ATOM 631 CB LEU A 62 4.832 -14.209 10.796 1.00 0.00 C ATOM 632 CG LEU A 62 6.283 -13.678 10.881 1.00 0.00 C ATOM 633 CD1 LEU A 62 7.180 -14.533 11.746 1.00 0.00 C ATOM 634 CD2 LEU A 62 6.876 -13.497 9.492 1.00 0.00 C ATOM 0 H LEU A 62 2.672 -14.796 9.883 1.00 0.00 H new ATOM 0 HA LEU A 62 5.277 -15.731 9.324 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.244 -13.475 10.245 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.433 -14.240 11.810 1.00 0.00 H new ATOM 0 HG LEU A 62 6.227 -12.705 11.369 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.183 -14.106 11.764 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.782 -14.567 12.760 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.223 -15.543 11.339 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.896 -13.123 9.578 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.883 -14.455 8.972 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.274 -12.783 8.930 1.00 0.00 H new ATOM 646 N ASP A 63 3.830 -16.985 11.978 1.00 0.00 N ATOM 647 CA ASP A 63 3.910 -18.003 13.027 1.00 0.00 C ATOM 648 C ASP A 63 3.810 -19.421 12.517 1.00 0.00 C ATOM 649 O ASP A 63 4.268 -20.353 13.188 1.00 0.00 O ATOM 650 CB ASP A 63 2.864 -17.776 14.106 1.00 0.00 C ATOM 651 CG ASP A 63 3.200 -16.636 15.036 1.00 0.00 C ATOM 652 OD1 ASP A 63 3.911 -15.703 14.632 1.00 0.00 O ATOM 653 OD2 ASP A 63 2.786 -16.670 16.225 1.00 0.00 O ATOM 0 H ASP A 63 2.939 -16.489 11.954 1.00 0.00 H new ATOM 0 HA ASP A 63 4.907 -17.887 13.451 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.902 -17.578 13.633 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.750 -18.690 14.689 1.00 0.00 H new ATOM 658 N ALA A 64 3.188 -19.615 11.373 1.00 0.00 N ATOM 659 CA ALA A 64 3.008 -20.953 10.847 1.00 0.00 C ATOM 660 C ALA A 64 4.246 -21.380 10.116 1.00 0.00 C ATOM 661 O ALA A 64 4.766 -22.478 10.296 1.00 0.00 O ATOM 662 CB ALA A 64 1.821 -20.984 9.901 1.00 0.00 C ATOM 0 H ALA A 64 2.801 -18.870 10.793 1.00 0.00 H new ATOM 0 HA ALA A 64 2.822 -21.638 11.675 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.693 -21.994 9.510 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.920 -20.686 10.438 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.996 -20.295 9.075 1.00 0.00 H new ATOM 668 N LEU A 65 4.754 -20.467 9.366 1.00 0.00 N ATOM 669 CA LEU A 65 5.831 -20.726 8.455 1.00 0.00 C ATOM 670 C LEU A 65 7.158 -20.467 9.109 1.00 0.00 C ATOM 671 O LEU A 65 8.134 -21.178 8.850 1.00 0.00 O ATOM 672 CB LEU A 65 5.621 -19.830 7.260 1.00 0.00 C ATOM 673 CG LEU A 65 4.237 -19.984 6.641 1.00 0.00 C ATOM 674 CD1 LEU A 65 3.835 -18.722 5.969 1.00 0.00 C ATOM 675 CD2 LEU A 65 4.199 -21.143 5.661 1.00 0.00 C ATOM 0 H LEU A 65 4.432 -19.499 9.362 1.00 0.00 H new ATOM 0 HA LEU A 65 5.838 -21.772 8.148 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.766 -18.792 7.560 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.377 -20.053 6.507 1.00 0.00 H new ATOM 0 HG LEU A 65 3.529 -20.201 7.441 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.845 -18.843 5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.812 -17.913 6.699 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.553 -18.483 5.184 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.199 -21.228 5.236 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.919 -20.968 4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.452 -22.067 6.181 1.00 0.00 H new ATOM 687 N LYS A 66 7.177 -19.475 9.999 1.00 0.00 N ATOM 688 CA LYS A 66 8.378 -19.053 10.685 1.00 0.00 C ATOM 689 C LYS A 66 9.429 -18.648 9.696 1.00 0.00 C ATOM 690 O LYS A 66 10.360 -19.390 9.367 1.00 0.00 O ATOM 691 CB LYS A 66 8.811 -20.075 11.721 1.00 0.00 C ATOM 692 CG LYS A 66 7.893 -20.036 12.932 1.00 0.00 C ATOM 693 CD LYS A 66 7.777 -21.370 13.634 1.00 0.00 C ATOM 694 CE LYS A 66 6.904 -22.328 12.830 1.00 0.00 C ATOM 695 NZ LYS A 66 6.612 -23.566 13.574 1.00 0.00 N ATOM 0 H LYS A 66 6.347 -18.943 10.260 1.00 0.00 H new ATOM 0 HA LYS A 66 8.177 -18.155 11.269 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.799 -21.073 11.282 1.00 0.00 H new ATOM 0 HB3 LYS A 66 9.837 -19.875 12.030 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.264 -19.292 13.637 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.901 -19.710 12.618 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.768 -21.802 13.771 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.351 -21.228 14.627 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.969 -21.833 12.568 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.405 -22.577 11.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.016 -24.189 12.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.503 -24.052 13.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.111 -23.332 14.454 1.00 0.00 H new ATOM 709 N LYS A 67 9.164 -17.499 9.145 1.00 0.00 N ATOM 710 CA LYS A 67 9.929 -16.906 8.088 1.00 0.00 C ATOM 711 C LYS A 67 11.299 -16.486 8.589 1.00 0.00 C ATOM 712 O LYS A 67 12.307 -16.972 8.100 1.00 0.00 O ATOM 713 CB LYS A 67 9.133 -15.723 7.549 1.00 0.00 C ATOM 714 CG LYS A 67 7.740 -16.121 7.017 1.00 0.00 C ATOM 715 CD LYS A 67 7.804 -16.716 5.624 1.00 0.00 C ATOM 716 CE LYS A 67 8.073 -15.635 4.591 1.00 0.00 C ATOM 717 NZ LYS A 67 8.294 -16.180 3.243 1.00 0.00 N ATOM 0 H LYS A 67 8.372 -16.924 9.434 1.00 0.00 H new ATOM 0 HA LYS A 67 10.101 -17.624 7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.015 -14.982 8.340 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.699 -15.247 6.748 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.286 -16.842 7.697 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.094 -15.243 7.005 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.589 -17.471 5.581 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.865 -17.220 5.395 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.230 -14.945 4.566 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.948 -15.059 4.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.523 -15.405 2.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.083 -16.857 3.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.432 -16.664 2.919 1.00 0.00 H new ATOM 731 N ASP A 68 11.311 -15.601 9.570 1.00 0.00 N ATOM 732 CA ASP A 68 12.530 -15.105 10.218 1.00 0.00 C ATOM 733 C ASP A 68 12.099 -13.991 11.104 1.00 0.00 C ATOM 734 O ASP A 68 11.084 -13.341 10.811 1.00 0.00 O ATOM 735 CB ASP A 68 13.538 -14.516 9.230 1.00 0.00 C ATOM 736 CG ASP A 68 14.933 -14.450 9.790 1.00 0.00 C ATOM 737 OD1 ASP A 68 15.227 -13.546 10.574 1.00 0.00 O ATOM 738 OD2 ASP A 68 15.766 -15.306 9.450 1.00 0.00 O ATOM 0 H ASP A 68 10.458 -15.193 9.953 1.00 0.00 H new ATOM 0 HA ASP A 68 13.012 -15.937 10.732 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.544 -15.119 8.322 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.218 -13.514 8.945 1.00 0.00 H new ATOM 743 N SER A 69 12.826 -13.722 12.139 1.00 0.00 N ATOM 744 CA SER A 69 12.446 -12.658 13.004 1.00 0.00 C ATOM 745 C SER A 69 13.014 -11.326 12.481 1.00 0.00 C ATOM 746 O SER A 69 12.448 -10.261 12.714 1.00 0.00 O ATOM 747 CB SER A 69 12.840 -12.943 14.466 1.00 0.00 C ATOM 748 OG SER A 69 12.350 -11.941 15.358 1.00 0.00 O ATOM 0 H SER A 69 13.677 -14.219 12.403 1.00 0.00 H new ATOM 0 HA SER A 69 11.359 -12.576 13.002 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.449 -13.916 14.764 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.926 -12.998 14.545 1.00 0.00 H new ATOM 0 HG SER A 69 12.620 -12.159 16.275 1.00 0.00 H new ATOM 754 N SER A 70 14.081 -11.404 11.713 1.00 0.00 N ATOM 755 CA SER A 70 14.690 -10.229 11.151 1.00 0.00 C ATOM 756 C SER A 70 13.817 -9.688 10.015 1.00 0.00 C ATOM 757 O SER A 70 13.529 -8.488 9.950 1.00 0.00 O ATOM 758 CB SER A 70 16.094 -10.574 10.658 1.00 0.00 C ATOM 759 OG SER A 70 16.890 -11.082 11.732 1.00 0.00 O ATOM 0 H SER A 70 14.543 -12.279 11.466 1.00 0.00 H new ATOM 0 HA SER A 70 14.774 -9.452 11.910 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.034 -11.314 9.860 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.566 -9.687 10.235 1.00 0.00 H new ATOM 0 HG SER A 70 17.786 -11.300 11.400 1.00 0.00 H new ATOM 765 N ARG A 71 13.305 -10.593 9.174 1.00 0.00 N ATOM 766 CA ARG A 71 12.471 -10.178 8.048 1.00 0.00 C ATOM 767 C ARG A 71 11.072 -9.831 8.542 1.00 0.00 C ATOM 768 O ARG A 71 10.275 -9.254 7.810 1.00 0.00 O ATOM 769 CB ARG A 71 12.456 -11.244 6.900 1.00 0.00 C ATOM 770 CG ARG A 71 11.590 -12.495 7.124 1.00 0.00 C ATOM 771 CD ARG A 71 10.146 -12.280 6.668 1.00 0.00 C ATOM 772 NE ARG A 71 10.037 -12.133 5.204 1.00 0.00 N ATOM 773 CZ ARG A 71 9.405 -11.129 4.563 1.00 0.00 C ATOM 774 NH1 ARG A 71 9.059 -10.030 5.203 1.00 0.00 N ATOM 775 NH2 ARG A 71 9.197 -11.192 3.262 1.00 0.00 N ATOM 0 H ARG A 71 13.451 -11.600 9.251 1.00 0.00 H new ATOM 0 HA ARG A 71 12.906 -9.281 7.607 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.116 -10.755 5.987 1.00 0.00 H new ATOM 0 HB3 ARG A 71 13.482 -11.568 6.725 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.021 -13.336 6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 71 11.601 -12.759 8.181 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.536 -13.123 6.993 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.743 -11.390 7.151 1.00 0.00 H new ATOM 0 HE ARG A 71 10.477 -12.851 4.628 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.269 -9.931 6.196 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.581 -9.279 4.705 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.515 -12.004 2.733 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.718 -10.428 2.785 1.00 0.00 H new ATOM 789 N HIS A 72 10.796 -10.173 9.800 1.00 0.00 N ATOM 790 CA HIS A 72 9.524 -9.879 10.436 1.00 0.00 C ATOM 791 C HIS A 72 9.452 -8.379 10.736 1.00 0.00 C ATOM 792 O HIS A 72 8.380 -7.786 10.774 1.00 0.00 O ATOM 793 CB HIS A 72 9.358 -10.729 11.719 1.00 0.00 C ATOM 794 CG HIS A 72 8.030 -10.606 12.419 1.00 0.00 C ATOM 795 ND1 HIS A 72 7.876 -10.682 13.784 1.00 0.00 N ATOM 796 CD2 HIS A 72 6.781 -10.466 11.913 1.00 0.00 C ATOM 797 CE1 HIS A 72 6.578 -10.595 14.062 1.00 0.00 C ATOM 798 NE2 HIS A 72 5.863 -10.460 12.958 1.00 0.00 N ATOM 0 H HIS A 72 11.455 -10.664 10.404 1.00 0.00 H new ATOM 0 HA HIS A 72 8.703 -10.138 9.768 1.00 0.00 H new ATOM 0 HB2 HIS A 72 9.516 -11.776 11.461 1.00 0.00 H new ATOM 0 HB3 HIS A 72 10.144 -10.451 12.421 1.00 0.00 H new ATOM 0 HD1 HIS A 72 8.628 -10.787 14.465 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.537 -10.374 10.865 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.163 -10.630 15.058 1.00 0.00 H new ATOM 806 N SER A 73 10.606 -7.775 10.881 1.00 0.00 N ATOM 807 CA SER A 73 10.716 -6.359 11.122 1.00 0.00 C ATOM 808 C SER A 73 10.984 -5.657 9.767 1.00 0.00 C ATOM 809 O SER A 73 11.398 -4.498 9.697 1.00 0.00 O ATOM 810 CB SER A 73 11.871 -6.115 12.121 1.00 0.00 C ATOM 811 OG SER A 73 11.902 -4.773 12.600 1.00 0.00 O ATOM 0 H SER A 73 11.503 -8.258 10.834 1.00 0.00 H new ATOM 0 HA SER A 73 9.800 -5.955 11.552 1.00 0.00 H new ATOM 0 HB2 SER A 73 11.767 -6.797 12.965 1.00 0.00 H new ATOM 0 HB3 SER A 73 12.820 -6.347 11.638 1.00 0.00 H new ATOM 0 HG SER A 73 11.738 -4.156 11.856 1.00 0.00 H new ATOM 817 N LYS A 74 10.730 -6.374 8.691 1.00 0.00 N ATOM 818 CA LYS A 74 10.947 -5.870 7.359 1.00 0.00 C ATOM 819 C LYS A 74 9.698 -6.151 6.527 1.00 0.00 C ATOM 820 O LYS A 74 9.733 -6.259 5.305 1.00 0.00 O ATOM 821 CB LYS A 74 12.210 -6.537 6.771 1.00 0.00 C ATOM 822 CG LYS A 74 12.697 -6.071 5.376 1.00 0.00 C ATOM 823 CD LYS A 74 13.033 -4.569 5.272 1.00 0.00 C ATOM 824 CE LYS A 74 11.813 -3.707 4.947 1.00 0.00 C ATOM 825 NZ LYS A 74 12.182 -2.293 4.696 1.00 0.00 N ATOM 0 H LYS A 74 10.366 -7.326 8.721 1.00 0.00 H new ATOM 0 HA LYS A 74 11.115 -4.793 7.360 1.00 0.00 H new ATOM 0 HB2 LYS A 74 13.027 -6.386 7.477 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.027 -7.610 6.719 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.583 -6.646 5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.927 -6.308 4.641 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.468 -4.233 6.213 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.790 -4.424 4.501 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.307 -4.111 4.070 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.104 -3.755 5.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.326 -1.744 4.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.642 -1.899 5.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.838 -2.243 3.891 1.00 0.00 H new ATOM 839 N LEU A 75 8.592 -6.232 7.207 1.00 0.00 N ATOM 840 CA LEU A 75 7.328 -6.426 6.545 1.00 0.00 C ATOM 841 C LEU A 75 6.773 -5.114 6.092 1.00 0.00 C ATOM 842 O LEU A 75 6.689 -4.151 6.861 1.00 0.00 O ATOM 843 CB LEU A 75 6.280 -7.142 7.403 1.00 0.00 C ATOM 844 CG LEU A 75 6.124 -8.670 7.250 1.00 0.00 C ATOM 845 CD1 LEU A 75 5.985 -9.112 5.792 1.00 0.00 C ATOM 846 CD2 LEU A 75 7.195 -9.432 7.969 1.00 0.00 C ATOM 0 H LEU A 75 8.536 -6.167 8.223 1.00 0.00 H new ATOM 0 HA LEU A 75 7.539 -7.073 5.694 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.509 -6.935 8.448 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.312 -6.687 7.193 1.00 0.00 H new ATOM 0 HG LEU A 75 5.181 -8.920 7.736 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.879 -10.196 5.749 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.105 -8.643 5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.872 -8.812 5.235 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.037 -10.501 7.828 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.170 -9.153 7.570 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.158 -9.196 9.033 1.00 0.00 H new ATOM 858 N GLU A 76 6.438 -5.074 4.859 1.00 0.00 N ATOM 859 CA GLU A 76 5.806 -3.937 4.261 1.00 0.00 C ATOM 860 C GLU A 76 4.374 -4.354 4.064 1.00 0.00 C ATOM 861 O GLU A 76 4.129 -5.548 3.965 1.00 0.00 O ATOM 862 CB GLU A 76 6.460 -3.629 2.915 1.00 0.00 C ATOM 863 CG GLU A 76 7.969 -3.459 2.999 1.00 0.00 C ATOM 864 CD GLU A 76 8.589 -3.128 1.676 1.00 0.00 C ATOM 865 OE1 GLU A 76 8.673 -1.922 1.338 1.00 0.00 O ATOM 866 OE2 GLU A 76 9.026 -4.058 0.955 1.00 0.00 O ATOM 0 H GLU A 76 6.595 -5.846 4.211 1.00 0.00 H new ATOM 0 HA GLU A 76 5.891 -3.040 4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.231 -4.434 2.216 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.022 -2.718 2.507 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.202 -2.669 3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.413 -4.377 3.384 1.00 0.00 H new ATOM 873 N LYS A 77 3.440 -3.425 4.010 1.00 0.00 N ATOM 874 CA LYS A 77 2.021 -3.776 3.874 1.00 0.00 C ATOM 875 C LYS A 77 1.755 -4.718 2.694 1.00 0.00 C ATOM 876 O LYS A 77 1.110 -5.749 2.850 1.00 0.00 O ATOM 877 CB LYS A 77 1.144 -2.525 3.833 1.00 0.00 C ATOM 878 CG LYS A 77 -0.323 -2.813 3.571 1.00 0.00 C ATOM 879 CD LYS A 77 -1.237 -1.654 3.985 1.00 0.00 C ATOM 880 CE LYS A 77 -1.229 -1.433 5.498 1.00 0.00 C ATOM 881 NZ LYS A 77 -2.085 -0.296 5.907 1.00 0.00 N ATOM 0 H LYS A 77 3.626 -2.423 4.057 1.00 0.00 H new ATOM 0 HA LYS A 77 1.743 -4.338 4.766 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.237 -1.996 4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.517 -1.856 3.057 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.464 -3.021 2.510 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.615 -3.712 4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.916 -0.741 3.483 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.255 -1.858 3.653 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.571 -2.340 5.997 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.207 -1.253 5.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.046 -0.187 6.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.744 0.576 5.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.066 -0.478 5.615 1.00 0.00 H new ATOM 895 N ALA A 78 2.319 -4.389 1.562 1.00 0.00 N ATOM 896 CA ALA A 78 2.212 -5.212 0.352 1.00 0.00 C ATOM 897 C ALA A 78 2.873 -6.580 0.545 1.00 0.00 C ATOM 898 O ALA A 78 2.407 -7.587 0.034 1.00 0.00 O ATOM 899 CB ALA A 78 2.877 -4.499 -0.800 1.00 0.00 C ATOM 0 H ALA A 78 2.872 -3.541 1.437 1.00 0.00 H new ATOM 0 HA ALA A 78 1.154 -5.369 0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.798 -5.109 -1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.385 -3.541 -0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.928 -4.331 -0.566 1.00 0.00 H new ATOM 905 N ASP A 79 3.908 -6.600 1.359 1.00 0.00 N ATOM 906 CA ASP A 79 4.728 -7.801 1.567 1.00 0.00 C ATOM 907 C ASP A 79 3.972 -8.769 2.425 1.00 0.00 C ATOM 908 O ASP A 79 4.060 -9.976 2.261 1.00 0.00 O ATOM 909 CB ASP A 79 6.059 -7.426 2.227 1.00 0.00 C ATOM 910 CG ASP A 79 7.079 -8.561 2.239 1.00 0.00 C ATOM 911 OD1 ASP A 79 7.164 -9.335 1.248 1.00 0.00 O ATOM 912 OD2 ASP A 79 7.830 -8.688 3.231 1.00 0.00 O ATOM 0 H ASP A 79 4.214 -5.791 1.900 1.00 0.00 H new ATOM 0 HA ASP A 79 4.945 -8.266 0.605 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.486 -6.571 1.703 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.869 -7.109 3.252 1.00 0.00 H new ATOM 917 N ILE A 80 3.193 -8.205 3.306 1.00 0.00 N ATOM 918 CA ILE A 80 2.329 -8.930 4.202 1.00 0.00 C ATOM 919 C ILE A 80 1.180 -9.549 3.419 1.00 0.00 C ATOM 920 O ILE A 80 0.918 -10.754 3.525 1.00 0.00 O ATOM 921 CB ILE A 80 1.783 -7.958 5.272 1.00 0.00 C ATOM 922 CG1 ILE A 80 2.941 -7.431 6.099 1.00 0.00 C ATOM 923 CG2 ILE A 80 0.756 -8.637 6.157 1.00 0.00 C ATOM 924 CD1 ILE A 80 2.638 -6.212 6.909 1.00 0.00 C ATOM 0 H ILE A 80 3.139 -7.193 3.426 1.00 0.00 H new ATOM 0 HA ILE A 80 2.888 -9.728 4.690 1.00 0.00 H new ATOM 0 HB ILE A 80 1.283 -7.127 4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.276 -8.221 6.771 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.772 -7.207 5.431 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.390 -7.928 6.900 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.077 -8.985 5.546 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.216 -9.487 6.662 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.527 -5.913 7.464 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.334 -5.401 6.247 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.831 -6.431 7.608 1.00 0.00 H new ATOM 936 N LEU A 81 0.534 -8.730 2.604 1.00 0.00 N ATOM 937 CA LEU A 81 -0.595 -9.169 1.801 1.00 0.00 C ATOM 938 C LEU A 81 -0.151 -10.285 0.864 1.00 0.00 C ATOM 939 O LEU A 81 -0.705 -11.387 0.887 1.00 0.00 O ATOM 940 CB LEU A 81 -1.161 -8.003 0.978 1.00 0.00 C ATOM 941 CG LEU A 81 -1.548 -6.733 1.745 1.00 0.00 C ATOM 942 CD1 LEU A 81 -2.054 -5.678 0.787 1.00 0.00 C ATOM 943 CD2 LEU A 81 -2.592 -7.020 2.822 1.00 0.00 C ATOM 0 H LEU A 81 0.776 -7.747 2.481 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.375 -9.536 2.468 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.423 -7.731 0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.043 -8.360 0.447 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.654 -6.361 2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.326 -4.781 1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.272 -5.435 0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.929 -6.056 0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.840 -6.096 3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.490 -7.428 2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.191 -7.742 3.534 1.00 0.00 H new ATOM 955 N GLU A 82 0.905 -10.014 0.110 1.00 0.00 N ATOM 956 CA GLU A 82 1.446 -10.941 -0.848 1.00 0.00 C ATOM 957 C GLU A 82 1.927 -12.223 -0.184 1.00 0.00 C ATOM 958 O GLU A 82 1.754 -13.281 -0.735 1.00 0.00 O ATOM 959 CB GLU A 82 2.582 -10.280 -1.623 1.00 0.00 C ATOM 960 CG GLU A 82 3.298 -11.153 -2.586 1.00 0.00 C ATOM 961 CD GLU A 82 4.528 -10.494 -3.136 1.00 0.00 C ATOM 962 OE1 GLU A 82 4.420 -9.707 -4.088 1.00 0.00 O ATOM 963 OE2 GLU A 82 5.632 -10.739 -2.596 1.00 0.00 O ATOM 0 H GLU A 82 1.410 -9.129 0.154 1.00 0.00 H new ATOM 0 HA GLU A 82 0.649 -11.215 -1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.178 -9.426 -2.166 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.306 -9.889 -0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.576 -12.085 -2.093 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.629 -11.413 -3.406 1.00 0.00 H new ATOM 970 N MET A 83 2.458 -12.126 1.032 1.00 0.00 N ATOM 971 CA MET A 83 3.031 -13.281 1.724 1.00 0.00 C ATOM 972 C MET A 83 1.952 -14.308 1.946 1.00 0.00 C ATOM 973 O MET A 83 2.101 -15.468 1.601 1.00 0.00 O ATOM 974 CB MET A 83 3.666 -12.849 3.062 1.00 0.00 C ATOM 975 CG MET A 83 4.405 -13.947 3.814 1.00 0.00 C ATOM 976 SD MET A 83 5.355 -13.323 5.233 1.00 0.00 S ATOM 977 CE MET A 83 4.092 -12.448 6.172 1.00 0.00 C ATOM 0 H MET A 83 2.504 -11.256 1.562 1.00 0.00 H new ATOM 0 HA MET A 83 3.819 -13.719 1.111 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.361 -12.032 2.869 1.00 0.00 H new ATOM 0 HB3 MET A 83 2.881 -12.454 3.707 1.00 0.00 H new ATOM 0 HG2 MET A 83 3.686 -14.688 4.163 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.081 -14.458 3.128 1.00 0.00 H new ATOM 0 HE1 MET A 83 4.330 -12.496 7.235 1.00 0.00 H new ATOM 0 HE2 MET A 83 4.059 -11.406 5.855 1.00 0.00 H new ATOM 0 HE3 MET A 83 3.121 -12.911 5.996 1.00 0.00 H new ATOM 987 N THR A 84 0.856 -13.836 2.428 1.00 0.00 N ATOM 988 CA THR A 84 -0.313 -14.624 2.713 1.00 0.00 C ATOM 989 C THR A 84 -0.857 -15.274 1.409 1.00 0.00 C ATOM 990 O THR A 84 -1.261 -16.434 1.406 1.00 0.00 O ATOM 991 CB THR A 84 -1.337 -13.663 3.331 1.00 0.00 C ATOM 992 OG1 THR A 84 -0.621 -12.862 4.275 1.00 0.00 O ATOM 993 CG2 THR A 84 -2.437 -14.389 4.080 1.00 0.00 C ATOM 0 H THR A 84 0.735 -12.847 2.647 1.00 0.00 H new ATOM 0 HA THR A 84 -0.092 -15.442 3.399 1.00 0.00 H new ATOM 0 HB THR A 84 -1.806 -13.085 2.535 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.261 -12.069 3.825 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.134 -13.662 4.497 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.968 -15.050 3.395 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.001 -14.978 4.887 1.00 0.00 H new ATOM 1001 N VAL A 85 -0.797 -14.536 0.304 1.00 0.00 N ATOM 1002 CA VAL A 85 -1.255 -15.036 -0.999 1.00 0.00 C ATOM 1003 C VAL A 85 -0.302 -16.122 -1.531 1.00 0.00 C ATOM 1004 O VAL A 85 -0.735 -17.191 -1.963 1.00 0.00 O ATOM 1005 CB VAL A 85 -1.324 -13.900 -2.044 1.00 0.00 C ATOM 1006 CG1 VAL A 85 -1.870 -14.386 -3.381 1.00 0.00 C ATOM 1007 CG2 VAL A 85 -2.128 -12.748 -1.536 1.00 0.00 C ATOM 0 H VAL A 85 -0.434 -13.583 0.280 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.251 -15.452 -0.848 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.302 -13.560 -2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.901 -13.555 -4.085 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.224 -15.171 -3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.876 -14.781 -3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.159 -11.964 -2.293 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.142 -13.081 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.670 -12.357 -0.627 1.00 0.00 H new ATOM 1017 N LYS A 86 0.991 -15.838 -1.484 1.00 0.00 N ATOM 1018 CA LYS A 86 2.016 -16.753 -1.979 1.00 0.00 C ATOM 1019 C LYS A 86 2.011 -18.033 -1.163 1.00 0.00 C ATOM 1020 O LYS A 86 2.102 -19.137 -1.693 1.00 0.00 O ATOM 1021 CB LYS A 86 3.393 -16.094 -1.921 1.00 0.00 C ATOM 1022 CG LYS A 86 3.443 -14.755 -2.641 1.00 0.00 C ATOM 1023 CD LYS A 86 4.836 -14.214 -2.780 1.00 0.00 C ATOM 1024 CE LYS A 86 5.440 -13.819 -1.444 1.00 0.00 C ATOM 1025 NZ LYS A 86 6.679 -13.027 -1.619 1.00 0.00 N ATOM 0 H LYS A 86 1.362 -14.968 -1.102 1.00 0.00 H new ATOM 0 HA LYS A 86 1.793 -16.997 -3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.677 -15.950 -0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.130 -16.765 -2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.002 -14.865 -3.632 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.832 -14.034 -2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.469 -14.965 -3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.822 -13.347 -3.440 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.715 -13.239 -0.873 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.659 -14.715 -0.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.018 -12.703 -0.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.408 -13.618 -2.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.482 -12.203 -2.223 1.00 0.00 H new ATOM 1039 N HIS A 87 1.842 -17.876 0.121 1.00 0.00 N ATOM 1040 CA HIS A 87 1.787 -18.988 1.029 1.00 0.00 C ATOM 1041 C HIS A 87 0.490 -19.776 0.904 1.00 0.00 C ATOM 1042 O HIS A 87 0.449 -20.976 1.209 1.00 0.00 O ATOM 1043 CB HIS A 87 2.167 -18.587 2.453 1.00 0.00 C ATOM 1044 CG HIS A 87 3.654 -18.328 2.575 1.00 0.00 C ATOM 1045 ND1 HIS A 87 4.598 -19.314 2.794 1.00 0.00 N ATOM 1046 CD2 HIS A 87 4.360 -17.175 2.457 1.00 0.00 C ATOM 1047 CE1 HIS A 87 5.802 -18.745 2.795 1.00 0.00 C ATOM 1048 NE2 HIS A 87 5.718 -17.442 2.596 1.00 0.00 N ATOM 0 H HIS A 87 1.738 -16.966 0.570 1.00 0.00 H new ATOM 0 HA HIS A 87 2.559 -19.698 0.731 1.00 0.00 H new ATOM 0 HB2 HIS A 87 1.615 -17.692 2.740 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.876 -19.377 3.145 1.00 0.00 H new ATOM 0 HD1 HIS A 87 4.405 -20.306 2.931 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.933 -16.199 2.282 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.729 -19.281 2.940 1.00 0.00 H new ATOM 1056 N LEU A 88 -0.563 -19.106 0.431 1.00 0.00 N ATOM 1057 CA LEU A 88 -1.817 -19.755 0.112 1.00 0.00 C ATOM 1058 C LEU A 88 -1.553 -20.760 -0.974 1.00 0.00 C ATOM 1059 O LEU A 88 -2.059 -21.873 -0.941 1.00 0.00 O ATOM 1060 CB LEU A 88 -2.836 -18.716 -0.390 1.00 0.00 C ATOM 1061 CG LEU A 88 -4.021 -19.239 -1.221 1.00 0.00 C ATOM 1062 CD1 LEU A 88 -4.942 -20.120 -0.408 1.00 0.00 C ATOM 1063 CD2 LEU A 88 -4.773 -18.096 -1.875 1.00 0.00 C ATOM 0 H LEU A 88 -0.561 -18.100 0.262 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.224 -20.242 0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.237 -18.190 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.301 -17.980 -0.990 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.610 -19.865 -2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.763 -20.465 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.386 -20.979 -0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.342 -19.552 0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.605 -18.493 -2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.155 -17.425 -1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.100 -17.547 -2.534 1.00 0.00 H new ATOM 1075 N ARG A 89 -0.714 -20.364 -1.922 1.00 0.00 N ATOM 1076 CA ARG A 89 -0.390 -21.208 -3.046 1.00 0.00 C ATOM 1077 C ARG A 89 0.361 -22.421 -2.545 1.00 0.00 C ATOM 1078 O ARG A 89 0.059 -23.536 -2.928 1.00 0.00 O ATOM 1079 CB ARG A 89 0.447 -20.462 -4.106 1.00 0.00 C ATOM 1080 CG ARG A 89 -0.071 -19.069 -4.484 1.00 0.00 C ATOM 1081 CD ARG A 89 -1.587 -19.029 -4.640 1.00 0.00 C ATOM 1082 NE ARG A 89 -2.094 -19.988 -5.644 1.00 0.00 N ATOM 1083 CZ ARG A 89 -3.391 -20.159 -5.971 1.00 0.00 C ATOM 1084 NH1 ARG A 89 -4.335 -19.422 -5.376 1.00 0.00 N ATOM 1085 NH2 ARG A 89 -3.737 -21.065 -6.885 1.00 0.00 N ATOM 0 H ARG A 89 -0.247 -19.457 -1.927 1.00 0.00 H new ATOM 0 HA ARG A 89 -1.319 -21.512 -3.529 1.00 0.00 H new ATOM 0 HB2 ARG A 89 1.468 -20.365 -3.737 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.491 -21.073 -5.008 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.231 -18.353 -3.719 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.395 -18.753 -5.417 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.051 -19.242 -3.677 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.890 -18.021 -4.924 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.408 -20.567 -6.128 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.074 -18.730 -4.674 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.316 -19.552 -5.624 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.020 -21.631 -7.339 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.719 -21.192 -7.131 1.00 0.00 H new ATOM 1099 N ASN A 90 1.281 -22.178 -1.622 1.00 0.00 N ATOM 1100 CA ASN A 90 2.093 -23.227 -1.000 1.00 0.00 C ATOM 1101 C ASN A 90 1.209 -24.246 -0.295 1.00 0.00 C ATOM 1102 O ASN A 90 1.312 -25.449 -0.538 1.00 0.00 O ATOM 1103 CB ASN A 90 3.113 -22.632 -0.005 1.00 0.00 C ATOM 1104 CG ASN A 90 4.155 -21.739 -0.662 1.00 0.00 C ATOM 1105 OD1 ASN A 90 4.500 -21.922 -1.833 1.00 0.00 O ATOM 1106 ND2 ASN A 90 4.699 -20.810 0.087 1.00 0.00 N ATOM 0 H ASN A 90 1.490 -21.241 -1.278 1.00 0.00 H new ATOM 0 HA ASN A 90 2.645 -23.729 -1.794 1.00 0.00 H new ATOM 0 HB2 ASN A 90 2.578 -22.057 0.750 1.00 0.00 H new ATOM 0 HB3 ASN A 90 3.619 -23.446 0.514 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.431 -20.211 -0.295 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.390 -20.686 1.051 1.00 0.00 H new ATOM 1113 N LEU A 91 0.304 -23.761 0.537 1.00 0.00 N ATOM 1114 CA LEU A 91 -0.620 -24.626 1.260 1.00 0.00 C ATOM 1115 C LEU A 91 -1.633 -25.296 0.336 1.00 0.00 C ATOM 1116 O LEU A 91 -2.150 -26.343 0.651 1.00 0.00 O ATOM 1117 CB LEU A 91 -1.322 -23.865 2.373 1.00 0.00 C ATOM 1118 CG LEU A 91 -0.473 -23.517 3.592 1.00 0.00 C ATOM 1119 CD1 LEU A 91 -1.224 -22.565 4.474 1.00 0.00 C ATOM 1120 CD2 LEU A 91 -0.132 -24.774 4.378 1.00 0.00 C ATOM 0 H LEU A 91 0.187 -22.767 0.731 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.023 -25.421 1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.719 -22.939 1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.175 -24.456 2.707 1.00 0.00 H new ATOM 0 HG LEU A 91 0.452 -23.051 3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.616 -22.318 5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.449 -21.655 3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.154 -23.029 4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.474 -24.508 5.244 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.051 -25.255 4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.426 -25.461 3.742 1.00 0.00 H new ATOM 1132 N GLN A 92 -1.907 -24.695 -0.794 1.00 0.00 N ATOM 1133 CA GLN A 92 -2.814 -25.279 -1.769 1.00 0.00 C ATOM 1134 C GLN A 92 -2.138 -26.347 -2.631 1.00 0.00 C ATOM 1135 O GLN A 92 -2.784 -27.292 -3.086 1.00 0.00 O ATOM 1136 CB GLN A 92 -3.452 -24.189 -2.636 1.00 0.00 C ATOM 1137 CG GLN A 92 -4.650 -23.507 -2.003 1.00 0.00 C ATOM 1138 CD GLN A 92 -5.879 -24.382 -1.946 1.00 0.00 C ATOM 1139 OE1 GLN A 92 -5.809 -25.603 -1.853 1.00 0.00 O ATOM 1140 NE2 GLN A 92 -7.009 -23.770 -2.018 1.00 0.00 N ATOM 0 H GLN A 92 -1.515 -23.794 -1.070 1.00 0.00 H new ATOM 0 HA GLN A 92 -3.603 -25.783 -1.211 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -2.698 -23.435 -2.864 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -3.759 -24.629 -3.585 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -4.388 -23.195 -0.992 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.883 -22.603 -2.566 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -7.034 -22.753 -2.095 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -7.879 -24.302 -1.998 1.00 0.00 H new ATOM 1149 N ARG A 93 -0.845 -26.228 -2.819 1.00 0.00 N ATOM 1150 CA ARG A 93 -0.117 -27.162 -3.674 1.00 0.00 C ATOM 1151 C ARG A 93 0.464 -28.312 -2.893 1.00 0.00 C ATOM 1152 O ARG A 93 1.040 -29.230 -3.464 1.00 0.00 O ATOM 1153 CB ARG A 93 0.967 -26.446 -4.521 1.00 0.00 C ATOM 1154 CG ARG A 93 2.075 -25.709 -3.749 1.00 0.00 C ATOM 1155 CD ARG A 93 3.086 -26.637 -3.075 1.00 0.00 C ATOM 1156 NE ARG A 93 3.648 -27.621 -4.005 1.00 0.00 N ATOM 1157 CZ ARG A 93 4.398 -28.674 -3.647 1.00 0.00 C ATOM 1158 NH1 ARG A 93 4.800 -28.828 -2.386 1.00 0.00 N ATOM 1159 NH2 ARG A 93 4.735 -29.578 -4.546 1.00 0.00 N ATOM 0 H ARG A 93 -0.269 -25.500 -2.397 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.846 -27.582 -4.367 1.00 0.00 H new ATOM 0 HB2 ARG A 93 1.438 -27.187 -5.167 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.470 -25.726 -5.171 1.00 0.00 H new ATOM 0 HG2 ARG A 93 2.605 -25.049 -4.436 1.00 0.00 H new ATOM 0 HG3 ARG A 93 1.615 -25.076 -2.990 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.893 -26.042 -2.649 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.603 -27.157 -2.248 1.00 0.00 H new ATOM 0 HE ARG A 93 3.454 -27.496 -4.999 1.00 0.00 H new ATOM 0 HH11 ARG A 93 4.538 -28.141 -1.680 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.370 -29.633 -2.127 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.425 -29.476 -5.513 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.305 -30.379 -4.275 1.00 0.00 H new ATOM 1173 N ALA A 94 0.298 -28.276 -1.582 1.00 0.00 N ATOM 1174 CA ALA A 94 0.863 -29.298 -0.707 1.00 0.00 C ATOM 1175 C ALA A 94 0.182 -30.651 -0.916 1.00 0.00 C ATOM 1176 O ALA A 94 0.642 -31.671 -0.412 1.00 0.00 O ATOM 1177 CB ALA A 94 0.768 -28.863 0.750 1.00 0.00 C ATOM 0 H ALA A 94 -0.225 -27.548 -1.095 1.00 0.00 H new ATOM 0 HA ALA A 94 1.915 -29.417 -0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.194 -29.637 1.389 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.320 -27.933 0.889 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.278 -28.708 1.016 1.00 0.00 H new ATOM 1485 N GLU B 43 7.282 5.347 -1.860 1.00 0.00 N ATOM 1486 CA GLU B 43 5.932 5.223 -1.350 1.00 0.00 C ATOM 1487 C GLU B 43 5.005 4.750 -2.456 1.00 0.00 C ATOM 1488 O GLU B 43 4.117 3.949 -2.220 1.00 0.00 O ATOM 1489 CB GLU B 43 5.428 6.535 -0.709 1.00 0.00 C ATOM 1490 CG GLU B 43 5.278 7.696 -1.672 1.00 0.00 C ATOM 1491 CD GLU B 43 4.869 8.978 -0.998 1.00 0.00 C ATOM 1492 OE1 GLU B 43 3.646 9.232 -0.844 1.00 0.00 O ATOM 1493 OE2 GLU B 43 5.748 9.762 -0.622 1.00 0.00 O ATOM 0 HA GLU B 43 5.938 4.478 -0.555 1.00 0.00 H new ATOM 0 HB2 GLU B 43 4.464 6.346 -0.237 1.00 0.00 H new ATOM 0 HB3 GLU B 43 6.119 6.825 0.083 1.00 0.00 H new ATOM 0 HG2 GLU B 43 6.223 7.852 -2.192 1.00 0.00 H new ATOM 0 HG3 GLU B 43 4.537 7.438 -2.428 1.00 0.00 H new ATOM 1500 N LYS B 44 5.287 5.182 -3.677 1.00 0.00 N ATOM 1501 CA LYS B 44 4.468 4.828 -4.822 1.00 0.00 C ATOM 1502 C LYS B 44 4.645 3.385 -5.218 1.00 0.00 C ATOM 1503 O LYS B 44 3.669 2.702 -5.553 1.00 0.00 O ATOM 1504 CB LYS B 44 4.761 5.725 -5.992 1.00 0.00 C ATOM 1505 CG LYS B 44 4.159 7.109 -5.868 1.00 0.00 C ATOM 1506 CD LYS B 44 4.352 7.898 -7.141 1.00 0.00 C ATOM 1507 CE LYS B 44 5.826 8.111 -7.461 1.00 0.00 C ATOM 1508 NZ LYS B 44 6.014 8.834 -8.725 1.00 0.00 N ATOM 0 H LYS B 44 6.082 5.781 -3.898 1.00 0.00 H new ATOM 0 HA LYS B 44 3.429 4.967 -4.523 1.00 0.00 H new ATOM 0 HB2 LYS B 44 5.841 5.818 -6.105 1.00 0.00 H new ATOM 0 HB3 LYS B 44 4.385 5.256 -6.901 1.00 0.00 H new ATOM 0 HG2 LYS B 44 3.095 7.028 -5.643 1.00 0.00 H new ATOM 0 HG3 LYS B 44 4.622 7.638 -5.034 1.00 0.00 H new ATOM 0 HD2 LYS B 44 3.873 7.374 -7.968 1.00 0.00 H new ATOM 0 HD3 LYS B 44 3.858 8.865 -7.047 1.00 0.00 H new ATOM 0 HE2 LYS B 44 6.296 8.668 -6.651 1.00 0.00 H new ATOM 0 HE3 LYS B 44 6.328 7.145 -7.517 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 7.031 8.958 -8.906 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 5.588 8.290 -9.503 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 5.557 9.766 -8.663 1.00 0.00 H new ATOM 1522 N ARG B 45 5.887 2.928 -5.177 1.00 0.00 N ATOM 1523 CA ARG B 45 6.227 1.542 -5.491 1.00 0.00 C ATOM 1524 C ARG B 45 5.493 0.605 -4.554 1.00 0.00 C ATOM 1525 O ARG B 45 4.814 -0.333 -4.985 1.00 0.00 O ATOM 1526 CB ARG B 45 7.736 1.327 -5.354 1.00 0.00 C ATOM 1527 CG ARG B 45 8.563 2.117 -6.347 1.00 0.00 C ATOM 1528 CD ARG B 45 10.040 2.079 -6.000 1.00 0.00 C ATOM 1529 NE ARG B 45 10.612 0.730 -6.073 1.00 0.00 N ATOM 1530 CZ ARG B 45 11.862 0.384 -5.716 1.00 0.00 C ATOM 1531 NH1 ARG B 45 12.656 1.249 -5.086 1.00 0.00 N ATOM 1532 NH2 ARG B 45 12.293 -0.838 -5.951 1.00 0.00 N ATOM 0 H ARG B 45 6.690 3.504 -4.926 1.00 0.00 H new ATOM 0 HA ARG B 45 5.928 1.331 -6.518 1.00 0.00 H new ATOM 0 HB2 ARG B 45 8.041 1.600 -4.344 1.00 0.00 H new ATOM 0 HB3 ARG B 45 7.954 0.266 -5.477 1.00 0.00 H new ATOM 0 HG2 ARG B 45 8.414 1.713 -7.348 1.00 0.00 H new ATOM 0 HG3 ARG B 45 8.220 3.151 -6.366 1.00 0.00 H new ATOM 0 HD2 ARG B 45 10.584 2.735 -6.679 1.00 0.00 H new ATOM 0 HD3 ARG B 45 10.181 2.474 -4.994 1.00 0.00 H new ATOM 0 HE ARG B 45 10.008 -0.012 -6.426 1.00 0.00 H new ATOM 0 HH11 ARG B 45 12.318 2.187 -4.869 1.00 0.00 H new ATOM 0 HH12 ARG B 45 13.602 0.974 -4.821 1.00 0.00 H new ATOM 0 HH21 ARG B 45 11.680 -1.517 -6.402 1.00 0.00 H new ATOM 0 HH22 ARG B 45 13.240 -1.105 -5.682 1.00 0.00 H new ATOM 1546 N ARG B 46 5.588 0.901 -3.274 1.00 0.00 N ATOM 1547 CA ARG B 46 4.973 0.089 -2.260 1.00 0.00 C ATOM 1548 C ARG B 46 3.440 0.192 -2.334 1.00 0.00 C ATOM 1549 O ARG B 46 2.760 -0.818 -2.308 1.00 0.00 O ATOM 1550 CB ARG B 46 5.475 0.496 -0.883 1.00 0.00 C ATOM 1551 CG ARG B 46 5.056 -0.444 0.234 1.00 0.00 C ATOM 1552 CD ARG B 46 5.532 0.066 1.578 1.00 0.00 C ATOM 1553 NE ARG B 46 7.003 0.179 1.660 1.00 0.00 N ATOM 1554 CZ ARG B 46 7.672 1.289 2.013 1.00 0.00 C ATOM 1555 NH1 ARG B 46 7.018 2.428 2.246 1.00 0.00 N ATOM 1556 NH2 ARG B 46 8.994 1.258 2.136 1.00 0.00 N ATOM 0 H ARG B 46 6.094 1.710 -2.914 1.00 0.00 H new ATOM 0 HA ARG B 46 5.249 -0.951 -2.435 1.00 0.00 H new ATOM 0 HB2 ARG B 46 6.563 0.552 -0.907 1.00 0.00 H new ATOM 0 HB3 ARG B 46 5.109 1.498 -0.656 1.00 0.00 H new ATOM 0 HG2 ARG B 46 3.971 -0.544 0.242 1.00 0.00 H new ATOM 0 HG3 ARG B 46 5.466 -1.437 0.052 1.00 0.00 H new ATOM 0 HD2 ARG B 46 5.086 1.042 1.770 1.00 0.00 H new ATOM 0 HD3 ARG B 46 5.180 -0.605 2.361 1.00 0.00 H new ATOM 0 HE ARG B 46 7.552 -0.649 1.431 1.00 0.00 H new ATOM 0 HH11 ARG B 46 6.002 2.460 2.157 1.00 0.00 H new ATOM 0 HH12 ARG B 46 7.533 3.266 2.514 1.00 0.00 H new ATOM 0 HH21 ARG B 46 9.502 0.391 1.962 1.00 0.00 H new ATOM 0 HH22 ARG B 46 9.501 2.101 2.404 1.00 0.00 H new ATOM 1570 N ARG B 47 2.925 1.420 -2.446 1.00 0.00 N ATOM 1571 CA ARG B 47 1.477 1.696 -2.525 1.00 0.00 C ATOM 1572 C ARG B 47 0.803 0.897 -3.628 1.00 0.00 C ATOM 1573 O ARG B 47 -0.204 0.223 -3.384 1.00 0.00 O ATOM 1574 CB ARG B 47 1.231 3.186 -2.738 1.00 0.00 C ATOM 1575 CG ARG B 47 -0.228 3.601 -2.777 1.00 0.00 C ATOM 1576 CD ARG B 47 -0.337 5.104 -2.944 1.00 0.00 C ATOM 1577 NE ARG B 47 0.351 5.807 -1.856 1.00 0.00 N ATOM 1578 CZ ARG B 47 1.086 6.914 -2.002 1.00 0.00 C ATOM 1579 NH1 ARG B 47 1.109 7.556 -3.173 1.00 0.00 N ATOM 1580 NH2 ARG B 47 1.762 7.395 -0.965 1.00 0.00 N ATOM 0 H ARG B 47 3.501 2.261 -2.485 1.00 0.00 H new ATOM 0 HA ARG B 47 1.038 1.387 -1.576 1.00 0.00 H new ATOM 0 HB2 ARG B 47 1.728 3.738 -1.940 1.00 0.00 H new ATOM 0 HB3 ARG B 47 1.703 3.486 -3.674 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -0.736 3.098 -3.600 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -0.727 3.292 -1.858 1.00 0.00 H new ATOM 0 HD2 ARG B 47 0.093 5.399 -3.901 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -1.387 5.396 -2.963 1.00 0.00 H new ATOM 0 HE ARG B 47 0.262 5.422 -0.916 1.00 0.00 H new ATOM 0 HH11 ARG B 47 0.565 7.202 -3.960 1.00 0.00 H new ATOM 0 HH12 ARG B 47 1.671 8.400 -3.281 1.00 0.00 H new ATOM 0 HH21 ARG B 47 1.719 6.920 -0.063 1.00 0.00 H new ATOM 0 HH22 ARG B 47 2.325 8.239 -1.070 1.00 0.00 H new ATOM 1594 N ALA B 48 1.360 0.971 -4.831 1.00 0.00 N ATOM 1595 CA ALA B 48 0.853 0.227 -5.968 1.00 0.00 C ATOM 1596 C ALA B 48 0.784 -1.243 -5.622 1.00 0.00 C ATOM 1597 O ALA B 48 -0.275 -1.858 -5.732 1.00 0.00 O ATOM 1598 CB ALA B 48 1.735 0.448 -7.189 1.00 0.00 C ATOM 0 H ALA B 48 2.174 1.548 -5.041 1.00 0.00 H new ATOM 0 HA ALA B 48 -0.149 0.583 -6.207 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.338 -0.118 -8.032 1.00 0.00 H new ATOM 0 HB2 ALA B 48 1.750 1.509 -7.440 1.00 0.00 H new ATOM 0 HB3 ALA B 48 2.749 0.112 -6.971 1.00 0.00 H new ATOM 1604 N ARG B 49 1.893 -1.766 -5.098 1.00 0.00 N ATOM 1605 CA ARG B 49 1.987 -3.165 -4.707 1.00 0.00 C ATOM 1606 C ARG B 49 0.940 -3.536 -3.671 1.00 0.00 C ATOM 1607 O ARG B 49 0.409 -4.614 -3.712 1.00 0.00 O ATOM 1608 CB ARG B 49 3.364 -3.506 -4.166 1.00 0.00 C ATOM 1609 CG ARG B 49 4.479 -3.479 -5.177 1.00 0.00 C ATOM 1610 CD ARG B 49 5.778 -3.865 -4.510 1.00 0.00 C ATOM 1611 NE ARG B 49 6.873 -4.024 -5.460 1.00 0.00 N ATOM 1612 CZ ARG B 49 8.100 -4.433 -5.129 1.00 0.00 C ATOM 1613 NH1 ARG B 49 8.423 -4.613 -3.853 1.00 0.00 N ATOM 1614 NH2 ARG B 49 9.003 -4.651 -6.070 1.00 0.00 N ATOM 0 H ARG B 49 2.746 -1.231 -4.935 1.00 0.00 H new ATOM 0 HA ARG B 49 1.807 -3.744 -5.613 1.00 0.00 H new ATOM 0 HB2 ARG B 49 3.605 -2.806 -3.366 1.00 0.00 H new ATOM 0 HB3 ARG B 49 3.325 -4.500 -3.720 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.260 -4.167 -5.994 1.00 0.00 H new ATOM 0 HG3 ARG B 49 4.564 -2.484 -5.613 1.00 0.00 H new ATOM 0 HD2 ARG B 49 6.046 -3.104 -3.777 1.00 0.00 H new ATOM 0 HD3 ARG B 49 5.638 -4.798 -3.964 1.00 0.00 H new ATOM 0 HE ARG B 49 6.690 -3.809 -6.440 1.00 0.00 H new ATOM 0 HH11 ARG B 49 7.733 -4.439 -3.123 1.00 0.00 H new ATOM 0 HH12 ARG B 49 9.361 -4.926 -3.604 1.00 0.00 H new ATOM 0 HH21 ARG B 49 8.763 -4.507 -7.051 1.00 0.00 H new ATOM 0 HH22 ARG B 49 9.940 -4.963 -5.815 1.00 0.00 H new ATOM 1628 N ILE B 50 0.659 -2.634 -2.742 1.00 0.00 N ATOM 1629 CA ILE B 50 -0.354 -2.865 -1.705 1.00 0.00 C ATOM 1630 C ILE B 50 -1.721 -3.144 -2.333 1.00 0.00 C ATOM 1631 O ILE B 50 -2.345 -4.165 -2.056 1.00 0.00 O ATOM 1632 CB ILE B 50 -0.449 -1.649 -0.739 1.00 0.00 C ATOM 1633 CG1 ILE B 50 0.877 -1.491 0.019 1.00 0.00 C ATOM 1634 CG2 ILE B 50 -1.617 -1.820 0.236 1.00 0.00 C ATOM 1635 CD1 ILE B 50 1.011 -0.210 0.803 1.00 0.00 C ATOM 0 H ILE B 50 1.119 -1.726 -2.680 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.048 -3.740 -1.131 1.00 0.00 H new ATOM 0 HB ILE B 50 -0.634 -0.746 -1.321 1.00 0.00 H new ATOM 0 HG12 ILE B 50 0.990 -2.332 0.703 1.00 0.00 H new ATOM 0 HG13 ILE B 50 1.697 -1.549 -0.697 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -1.664 -0.958 0.902 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.549 -1.898 -0.323 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -1.470 -2.726 0.825 1.00 0.00 H new ATOM 0 HD11 ILE B 50 1.979 -0.189 1.303 1.00 0.00 H new ATOM 0 HD12 ILE B 50 0.934 0.641 0.126 1.00 0.00 H new ATOM 0 HD13 ILE B 50 0.217 -0.154 1.547 1.00 0.00 H new ATOM 1647 N ASN B 51 -2.139 -2.273 -3.219 1.00 0.00 N ATOM 1648 CA ASN B 51 -3.441 -2.415 -3.872 1.00 0.00 C ATOM 1649 C ASN B 51 -3.481 -3.666 -4.727 1.00 0.00 C ATOM 1650 O ASN B 51 -4.476 -4.400 -4.732 1.00 0.00 O ATOM 1651 CB ASN B 51 -3.774 -1.200 -4.742 1.00 0.00 C ATOM 1652 CG ASN B 51 -3.966 0.087 -3.969 1.00 0.00 C ATOM 1653 OD1 ASN B 51 -5.080 0.404 -3.532 1.00 0.00 O ATOM 1654 ND2 ASN B 51 -2.905 0.841 -3.808 1.00 0.00 N ATOM 0 H ASN B 51 -1.605 -1.455 -3.512 1.00 0.00 H new ATOM 0 HA ASN B 51 -4.186 -2.490 -3.080 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -2.974 -1.058 -5.468 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -4.683 -1.410 -5.306 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -2.980 1.726 -3.306 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -2.005 0.542 -4.184 1.00 0.00 H new ATOM 1661 N GLU B 52 -2.388 -3.916 -5.414 1.00 0.00 N ATOM 1662 CA GLU B 52 -2.265 -5.052 -6.316 1.00 0.00 C ATOM 1663 C GLU B 52 -2.217 -6.397 -5.562 1.00 0.00 C ATOM 1664 O GLU B 52 -2.842 -7.375 -5.988 1.00 0.00 O ATOM 1665 CB GLU B 52 -1.030 -4.894 -7.204 1.00 0.00 C ATOM 1666 CG GLU B 52 -1.021 -3.625 -8.052 1.00 0.00 C ATOM 1667 CD GLU B 52 -2.142 -3.561 -9.058 1.00 0.00 C ATOM 1668 OE1 GLU B 52 -1.985 -4.118 -10.166 1.00 0.00 O ATOM 1669 OE2 GLU B 52 -3.182 -2.924 -8.792 1.00 0.00 O ATOM 0 H GLU B 52 -1.551 -3.336 -5.366 1.00 0.00 H new ATOM 0 HA GLU B 52 -3.158 -5.066 -6.941 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -0.141 -4.901 -6.573 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -0.959 -5.758 -7.864 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -1.085 -2.758 -7.394 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -0.069 -3.556 -8.578 1.00 0.00 H new ATOM 1676 N SER B 53 -1.524 -6.446 -4.435 1.00 0.00 N ATOM 1677 CA SER B 53 -1.402 -7.678 -3.698 1.00 0.00 C ATOM 1678 C SER B 53 -2.710 -7.995 -3.006 1.00 0.00 C ATOM 1679 O SER B 53 -3.135 -9.144 -2.972 1.00 0.00 O ATOM 1680 CB SER B 53 -0.218 -7.630 -2.725 1.00 0.00 C ATOM 1681 OG SER B 53 -0.257 -6.456 -1.939 1.00 0.00 O ATOM 0 H SER B 53 -1.043 -5.648 -4.019 1.00 0.00 H new ATOM 0 HA SER B 53 -1.190 -8.490 -4.394 1.00 0.00 H new ATOM 0 HB2 SER B 53 -0.239 -8.507 -2.077 1.00 0.00 H new ATOM 0 HB3 SER B 53 0.718 -7.668 -3.283 1.00 0.00 H new ATOM 0 HG SER B 53 0.306 -5.768 -2.351 1.00 0.00 H new ATOM 1687 N LEU B 54 -3.372 -6.954 -2.509 1.00 0.00 N ATOM 1688 CA LEU B 54 -4.675 -7.080 -1.898 1.00 0.00 C ATOM 1689 C LEU B 54 -5.670 -7.577 -2.962 1.00 0.00 C ATOM 1690 O LEU B 54 -6.538 -8.413 -2.684 1.00 0.00 O ATOM 1691 CB LEU B 54 -5.096 -5.702 -1.361 1.00 0.00 C ATOM 1692 CG LEU B 54 -6.064 -5.660 -0.171 1.00 0.00 C ATOM 1693 CD1 LEU B 54 -6.180 -4.241 0.343 1.00 0.00 C ATOM 1694 CD2 LEU B 54 -7.448 -6.193 -0.524 1.00 0.00 C ATOM 0 H LEU B 54 -3.012 -6.000 -2.523 1.00 0.00 H new ATOM 0 HA LEU B 54 -4.655 -7.792 -1.073 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -4.192 -5.164 -1.076 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -5.551 -5.148 -2.182 1.00 0.00 H new ATOM 0 HG LEU B 54 -5.654 -6.310 0.602 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -6.868 -4.215 1.188 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -5.199 -3.889 0.663 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -6.556 -3.596 -0.451 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -8.093 -6.141 0.353 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -7.876 -5.591 -1.325 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -7.366 -7.229 -0.853 1.00 0.00 H new ATOM 1706 N SER B 55 -5.509 -7.077 -4.183 1.00 0.00 N ATOM 1707 CA SER B 55 -6.357 -7.448 -5.288 1.00 0.00 C ATOM 1708 C SER B 55 -6.246 -8.944 -5.577 1.00 0.00 C ATOM 1709 O SER B 55 -7.257 -9.649 -5.555 1.00 0.00 O ATOM 1710 CB SER B 55 -6.024 -6.621 -6.543 1.00 0.00 C ATOM 1711 OG SER B 55 -6.923 -6.906 -7.610 1.00 0.00 O ATOM 0 H SER B 55 -4.783 -6.403 -4.425 1.00 0.00 H new ATOM 0 HA SER B 55 -7.388 -7.231 -5.009 1.00 0.00 H new ATOM 0 HB2 SER B 55 -6.069 -5.559 -6.302 1.00 0.00 H new ATOM 0 HB3 SER B 55 -5.003 -6.834 -6.860 1.00 0.00 H new ATOM 0 HG SER B 55 -6.686 -6.364 -8.391 1.00 0.00 H new ATOM 1717 N GLN B 56 -5.028 -9.440 -5.805 1.00 0.00 N ATOM 1718 CA GLN B 56 -4.842 -10.858 -6.115 1.00 0.00 C ATOM 1719 C GLN B 56 -5.224 -11.738 -4.919 1.00 0.00 C ATOM 1720 O GLN B 56 -5.727 -12.831 -5.100 1.00 0.00 O ATOM 1721 CB GLN B 56 -3.414 -11.160 -6.600 1.00 0.00 C ATOM 1722 CG GLN B 56 -2.340 -10.945 -5.562 1.00 0.00 C ATOM 1723 CD GLN B 56 -0.949 -11.210 -6.089 1.00 0.00 C ATOM 1724 OE1 GLN B 56 -0.448 -12.335 -6.034 1.00 0.00 O ATOM 1725 NE2 GLN B 56 -0.315 -10.186 -6.594 1.00 0.00 N ATOM 0 H GLN B 56 -4.169 -8.891 -5.782 1.00 0.00 H new ATOM 0 HA GLN B 56 -5.514 -11.100 -6.938 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -3.371 -12.195 -6.940 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -3.197 -10.532 -7.464 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -2.395 -9.919 -5.197 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -2.530 -11.597 -4.710 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -0.764 -9.271 -6.621 1.00 0.00 H new ATOM 0 HE22 GLN B 56 0.630 -10.301 -6.961 1.00 0.00 H new ATOM 1734 N LEU B 57 -5.006 -11.221 -3.713 1.00 0.00 N ATOM 1735 CA LEU B 57 -5.382 -11.888 -2.465 1.00 0.00 C ATOM 1736 C LEU B 57 -6.876 -12.189 -2.477 1.00 0.00 C ATOM 1737 O LEU B 57 -7.295 -13.347 -2.432 1.00 0.00 O ATOM 1738 CB LEU B 57 -4.972 -10.963 -1.287 1.00 0.00 C ATOM 1739 CG LEU B 57 -5.307 -11.380 0.141 1.00 0.00 C ATOM 1740 CD1 LEU B 57 -4.176 -10.971 1.071 1.00 0.00 C ATOM 1741 CD2 LEU B 57 -6.568 -10.682 0.594 1.00 0.00 C ATOM 0 H LEU B 57 -4.558 -10.316 -3.571 1.00 0.00 H new ATOM 0 HA LEU B 57 -4.868 -12.843 -2.351 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -3.893 -10.821 -1.342 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -5.431 -9.989 -1.460 1.00 0.00 H new ATOM 0 HG LEU B 57 -5.446 -12.461 0.168 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -4.418 -11.270 2.091 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -3.253 -11.460 0.758 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -4.045 -9.890 1.031 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -6.804 -10.983 1.615 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -6.419 -9.603 0.559 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -7.392 -10.956 -0.064 1.00 0.00 H new ATOM 1753 N LYS B 58 -7.640 -11.135 -2.620 1.00 0.00 N ATOM 1754 CA LYS B 58 -9.093 -11.168 -2.721 1.00 0.00 C ATOM 1755 C LYS B 58 -9.550 -12.131 -3.820 1.00 0.00 C ATOM 1756 O LYS B 58 -10.450 -12.953 -3.624 1.00 0.00 O ATOM 1757 CB LYS B 58 -9.551 -9.754 -3.080 1.00 0.00 C ATOM 1758 CG LYS B 58 -11.045 -9.569 -3.294 1.00 0.00 C ATOM 1759 CD LYS B 58 -11.359 -8.145 -3.752 1.00 0.00 C ATOM 1760 CE LYS B 58 -10.749 -7.826 -5.125 1.00 0.00 C ATOM 1761 NZ LYS B 58 -11.390 -8.574 -6.223 1.00 0.00 N ATOM 0 H LYS B 58 -7.260 -10.190 -2.672 1.00 0.00 H new ATOM 0 HA LYS B 58 -9.520 -11.508 -1.777 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -9.232 -9.078 -2.287 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -9.034 -9.446 -3.989 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -11.401 -10.281 -4.039 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -11.578 -9.783 -2.368 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -12.440 -8.010 -3.797 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -10.980 -7.437 -3.015 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -10.840 -6.757 -5.318 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -9.684 -8.057 -5.107 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -10.658 -8.961 -6.853 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -11.955 -9.353 -5.829 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -12.010 -7.936 -6.762 1.00 0.00 H new ATOM 1775 N THR B 59 -8.883 -12.043 -4.939 1.00 0.00 N ATOM 1776 CA THR B 59 -9.238 -12.760 -6.121 1.00 0.00 C ATOM 1777 C THR B 59 -8.989 -14.266 -5.969 1.00 0.00 C ATOM 1778 O THR B 59 -9.890 -15.081 -6.205 1.00 0.00 O ATOM 1779 CB THR B 59 -8.443 -12.179 -7.308 1.00 0.00 C ATOM 1780 OG1 THR B 59 -8.727 -10.765 -7.396 1.00 0.00 O ATOM 1781 CG2 THR B 59 -8.836 -12.829 -8.611 1.00 0.00 C ATOM 0 H THR B 59 -8.058 -11.454 -5.051 1.00 0.00 H new ATOM 0 HA THR B 59 -10.306 -12.642 -6.303 1.00 0.00 H new ATOM 0 HB THR B 59 -7.382 -12.365 -7.139 1.00 0.00 H new ATOM 0 HG1 THR B 59 -8.003 -10.259 -6.972 1.00 0.00 H new ATOM 0 HG21 THR B 59 -8.255 -12.394 -9.424 1.00 0.00 H new ATOM 0 HG22 THR B 59 -8.640 -13.900 -8.557 1.00 0.00 H new ATOM 0 HG23 THR B 59 -9.898 -12.663 -8.795 1.00 0.00 H new ATOM 1789 N LEU B 60 -7.803 -14.626 -5.522 1.00 0.00 N ATOM 1790 CA LEU B 60 -7.429 -16.018 -5.427 1.00 0.00 C ATOM 1791 C LEU B 60 -8.166 -16.720 -4.304 1.00 0.00 C ATOM 1792 O LEU B 60 -8.493 -17.895 -4.423 1.00 0.00 O ATOM 1793 CB LEU B 60 -5.913 -16.182 -5.294 1.00 0.00 C ATOM 1794 CG LEU B 60 -5.074 -15.583 -6.438 1.00 0.00 C ATOM 1795 CD1 LEU B 60 -3.602 -15.879 -6.244 1.00 0.00 C ATOM 1796 CD2 LEU B 60 -5.552 -16.077 -7.799 1.00 0.00 C ATOM 0 H LEU B 60 -7.082 -13.971 -5.219 1.00 0.00 H new ATOM 0 HA LEU B 60 -7.729 -16.499 -6.358 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -5.597 -15.723 -4.357 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -5.686 -17.246 -5.220 1.00 0.00 H new ATOM 0 HG LEU B 60 -5.210 -14.502 -6.412 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -3.032 -15.445 -7.066 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -3.265 -15.448 -5.301 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -3.447 -16.958 -6.225 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -4.938 -15.634 -8.583 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -5.468 -17.163 -7.842 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -6.592 -15.787 -7.946 1.00 0.00 H new ATOM 1808 N ILE B 61 -8.449 -16.002 -3.229 1.00 0.00 N ATOM 1809 CA ILE B 61 -9.212 -16.570 -2.133 1.00 0.00 C ATOM 1810 C ILE B 61 -10.636 -16.858 -2.569 1.00 0.00 C ATOM 1811 O ILE B 61 -11.135 -17.968 -2.394 1.00 0.00 O ATOM 1812 CB ILE B 61 -9.210 -15.650 -0.881 1.00 0.00 C ATOM 1813 CG1 ILE B 61 -7.820 -15.623 -0.254 1.00 0.00 C ATOM 1814 CG2 ILE B 61 -10.259 -16.085 0.152 1.00 0.00 C ATOM 1815 CD1 ILE B 61 -7.357 -16.968 0.296 1.00 0.00 C ATOM 0 H ILE B 61 -8.164 -15.032 -3.094 1.00 0.00 H new ATOM 0 HA ILE B 61 -8.727 -17.505 -1.854 1.00 0.00 H new ATOM 0 HB ILE B 61 -9.476 -14.644 -1.207 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -7.103 -15.282 -1.001 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -7.812 -14.891 0.553 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -10.223 -15.415 1.011 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -11.251 -16.046 -0.298 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -10.048 -17.104 0.478 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -6.360 -16.862 0.724 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -8.050 -17.303 1.068 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -7.330 -17.701 -0.510 1.00 0.00 H new ATOM 1827 N LEU B 62 -11.261 -15.890 -3.196 1.00 0.00 N ATOM 1828 CA LEU B 62 -12.646 -16.017 -3.602 1.00 0.00 C ATOM 1829 C LEU B 62 -12.785 -17.170 -4.613 1.00 0.00 C ATOM 1830 O LEU B 62 -13.750 -17.910 -4.579 1.00 0.00 O ATOM 1831 CB LEU B 62 -13.141 -14.675 -4.185 1.00 0.00 C ATOM 1832 CG LEU B 62 -14.655 -14.347 -4.089 1.00 0.00 C ATOM 1833 CD1 LEU B 62 -15.523 -15.318 -4.861 1.00 0.00 C ATOM 1834 CD2 LEU B 62 -15.104 -14.261 -2.634 1.00 0.00 C ATOM 0 H LEU B 62 -10.831 -14.998 -3.439 1.00 0.00 H new ATOM 0 HA LEU B 62 -13.269 -16.254 -2.740 1.00 0.00 H new ATOM 0 HB2 LEU B 62 -12.595 -13.874 -3.687 1.00 0.00 H new ATOM 0 HB3 LEU B 62 -12.860 -14.646 -5.238 1.00 0.00 H new ATOM 0 HG LEU B 62 -14.787 -13.372 -4.557 1.00 0.00 H new ATOM 0 HD11 LEU B 62 -16.570 -15.034 -4.754 1.00 0.00 H new ATOM 0 HD12 LEU B 62 -15.246 -15.294 -5.915 1.00 0.00 H new ATOM 0 HD13 LEU B 62 -15.378 -16.325 -4.470 1.00 0.00 H new ATOM 0 HD21 LEU B 62 -16.169 -14.030 -2.595 1.00 0.00 H new ATOM 0 HD22 LEU B 62 -14.921 -15.215 -2.140 1.00 0.00 H new ATOM 0 HD23 LEU B 62 -14.544 -13.476 -2.126 1.00 0.00 H new ATOM 1846 N ASP B 63 -11.772 -17.349 -5.435 1.00 0.00 N ATOM 1847 CA ASP B 63 -11.739 -18.402 -6.467 1.00 0.00 C ATOM 1848 C ASP B 63 -11.431 -19.766 -5.869 1.00 0.00 C ATOM 1849 O ASP B 63 -11.774 -20.790 -6.420 1.00 0.00 O ATOM 1850 CB ASP B 63 -10.644 -18.085 -7.431 1.00 0.00 C ATOM 1851 CG ASP B 63 -10.634 -18.967 -8.664 1.00 0.00 C ATOM 1852 OD1 ASP B 63 -11.475 -18.774 -9.559 1.00 0.00 O ATOM 1853 OD2 ASP B 63 -9.764 -19.855 -8.769 1.00 0.00 O ATOM 0 H ASP B 63 -10.933 -16.769 -5.417 1.00 0.00 H new ATOM 0 HA ASP B 63 -12.718 -18.434 -6.946 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -10.737 -17.044 -7.742 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -9.686 -18.180 -6.921 1.00 0.00 H new ATOM 1858 N ALA B 64 -10.761 -19.765 -4.761 1.00 0.00 N ATOM 1859 CA ALA B 64 -10.374 -20.989 -4.106 1.00 0.00 C ATOM 1860 C ALA B 64 -11.534 -21.565 -3.323 1.00 0.00 C ATOM 1861 O ALA B 64 -11.639 -22.785 -3.147 1.00 0.00 O ATOM 1862 CB ALA B 64 -9.179 -20.753 -3.206 1.00 0.00 C ATOM 0 H ALA B 64 -10.463 -18.918 -4.278 1.00 0.00 H new ATOM 0 HA ALA B 64 -10.089 -21.714 -4.869 1.00 0.00 H new ATOM 0 HB1 ALA B 64 -8.900 -21.687 -2.719 1.00 0.00 H new ATOM 0 HB2 ALA B 64 -8.341 -20.390 -3.801 1.00 0.00 H new ATOM 0 HB3 ALA B 64 -9.435 -20.012 -2.449 1.00 0.00 H new ATOM 1868 N LEU B 65 -12.405 -20.701 -2.854 1.00 0.00 N ATOM 1869 CA LEU B 65 -13.568 -21.174 -2.110 1.00 0.00 C ATOM 1870 C LEU B 65 -14.803 -21.179 -2.992 1.00 0.00 C ATOM 1871 O LEU B 65 -15.694 -21.993 -2.804 1.00 0.00 O ATOM 1872 CB LEU B 65 -13.831 -20.400 -0.784 1.00 0.00 C ATOM 1873 CG LEU B 65 -12.764 -20.518 0.327 1.00 0.00 C ATOM 1874 CD1 LEU B 65 -11.531 -19.724 0.006 1.00 0.00 C ATOM 1875 CD2 LEU B 65 -13.322 -20.107 1.678 1.00 0.00 C ATOM 0 H LEU B 65 -12.342 -19.689 -2.966 1.00 0.00 H new ATOM 0 HA LEU B 65 -13.336 -22.196 -1.810 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -13.950 -19.344 -1.027 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -14.782 -20.742 -0.376 1.00 0.00 H new ATOM 0 HG LEU B 65 -12.480 -21.569 0.379 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -10.807 -19.835 0.813 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -11.096 -20.088 -0.925 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -11.794 -18.672 -0.104 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -12.545 -20.202 2.437 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -13.660 -19.072 1.632 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -14.162 -20.752 1.936 1.00 0.00 H new ATOM 1887 N LYS B 66 -14.829 -20.264 -3.963 1.00 0.00 N ATOM 1888 CA LYS B 66 -15.925 -20.125 -4.928 1.00 0.00 C ATOM 1889 C LYS B 66 -17.249 -19.872 -4.253 1.00 0.00 C ATOM 1890 O LYS B 66 -18.160 -20.720 -4.219 1.00 0.00 O ATOM 1891 CB LYS B 66 -15.936 -21.283 -5.922 1.00 0.00 C ATOM 1892 CG LYS B 66 -14.781 -21.205 -6.925 1.00 0.00 C ATOM 1893 CD LYS B 66 -14.324 -22.577 -7.380 1.00 0.00 C ATOM 1894 CE LYS B 66 -13.578 -23.293 -6.259 1.00 0.00 C ATOM 1895 NZ LYS B 66 -13.138 -24.643 -6.650 1.00 0.00 N ATOM 0 H LYS B 66 -14.079 -19.588 -4.104 1.00 0.00 H new ATOM 0 HA LYS B 66 -15.744 -19.229 -5.522 1.00 0.00 H new ATOM 0 HB2 LYS B 66 -15.877 -22.226 -5.378 1.00 0.00 H new ATOM 0 HB3 LYS B 66 -16.883 -21.285 -6.462 1.00 0.00 H new ATOM 0 HG2 LYS B 66 -15.093 -20.622 -7.791 1.00 0.00 H new ATOM 0 HG3 LYS B 66 -13.943 -20.677 -6.471 1.00 0.00 H new ATOM 0 HD2 LYS B 66 -15.185 -23.170 -7.687 1.00 0.00 H new ATOM 0 HD3 LYS B 66 -13.676 -22.480 -8.251 1.00 0.00 H new ATOM 0 HE2 LYS B 66 -12.710 -22.701 -5.968 1.00 0.00 H new ATOM 0 HE3 LYS B 66 -14.224 -23.364 -5.384 1.00 0.00 H new ATOM 0 HZ1 LYS B 66 -12.636 -25.088 -5.855 1.00 0.00 H new ATOM 0 HZ2 LYS B 66 -13.967 -25.219 -6.903 1.00 0.00 H new ATOM 0 HZ3 LYS B 66 -12.500 -24.577 -7.469 1.00 0.00 H new ATOM 1909 N LYS B 67 -17.300 -18.721 -3.628 1.00 0.00 N ATOM 1910 CA LYS B 67 -18.467 -18.277 -2.917 1.00 0.00 C ATOM 1911 C LYS B 67 -19.481 -17.641 -3.854 1.00 0.00 C ATOM 1912 O LYS B 67 -20.530 -18.230 -4.121 1.00 0.00 O ATOM 1913 CB LYS B 67 -18.083 -17.313 -1.799 1.00 0.00 C ATOM 1914 CG LYS B 67 -17.182 -17.931 -0.752 1.00 0.00 C ATOM 1915 CD LYS B 67 -16.937 -16.984 0.390 1.00 0.00 C ATOM 1916 CE LYS B 67 -16.148 -17.667 1.481 1.00 0.00 C ATOM 1917 NZ LYS B 67 -16.880 -18.811 2.068 1.00 0.00 N ATOM 0 H LYS B 67 -16.522 -18.061 -3.600 1.00 0.00 H new ATOM 0 HA LYS B 67 -18.936 -19.153 -2.470 1.00 0.00 H new ATOM 0 HB2 LYS B 67 -17.582 -16.447 -2.233 1.00 0.00 H new ATOM 0 HB3 LYS B 67 -18.990 -16.948 -1.317 1.00 0.00 H new ATOM 0 HG2 LYS B 67 -17.635 -18.848 -0.375 1.00 0.00 H new ATOM 0 HG3 LYS B 67 -16.231 -18.209 -1.206 1.00 0.00 H new ATOM 0 HD2 LYS B 67 -16.395 -16.108 0.034 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -17.888 -16.630 0.788 1.00 0.00 H new ATOM 0 HE2 LYS B 67 -15.198 -18.015 1.076 1.00 0.00 H new ATOM 0 HE3 LYS B 67 -15.916 -16.946 2.265 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -16.494 -19.023 3.010 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -17.888 -18.571 2.153 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 -16.773 -19.644 1.454 1.00 0.00 H new ATOM 1931 N ASP B 68 -19.161 -16.456 -4.370 1.00 0.00 N ATOM 1932 CA ASP B 68 -20.075 -15.721 -5.255 1.00 0.00 C ATOM 1933 C ASP B 68 -19.372 -14.525 -5.745 1.00 0.00 C ATOM 1934 O ASP B 68 -18.671 -13.852 -4.976 1.00 0.00 O ATOM 1935 CB ASP B 68 -21.293 -15.238 -4.486 1.00 0.00 C ATOM 1936 CG ASP B 68 -22.484 -14.825 -5.343 1.00 0.00 C ATOM 1937 OD1 ASP B 68 -22.313 -14.316 -6.466 1.00 0.00 O ATOM 1938 OD2 ASP B 68 -23.624 -14.967 -4.875 1.00 0.00 O ATOM 0 H ASP B 68 -18.276 -15.980 -4.193 1.00 0.00 H new ATOM 0 HA ASP B 68 -20.387 -16.380 -6.065 1.00 0.00 H new ATOM 0 HB2 ASP B 68 -21.612 -16.030 -3.808 1.00 0.00 H new ATOM 0 HB3 ASP B 68 -20.999 -14.389 -3.869 1.00 0.00 H new ATOM 1943 N SER B 69 -19.574 -14.221 -6.973 1.00 0.00 N ATOM 1944 CA SER B 69 -18.950 -13.106 -7.550 1.00 0.00 C ATOM 1945 C SER B 69 -19.692 -11.815 -7.179 1.00 0.00 C ATOM 1946 O SER B 69 -19.115 -10.730 -7.192 1.00 0.00 O ATOM 1947 CB SER B 69 -18.857 -13.287 -9.043 1.00 0.00 C ATOM 1948 OG SER B 69 -18.214 -14.514 -9.364 1.00 0.00 O ATOM 0 H SER B 69 -20.181 -14.745 -7.603 1.00 0.00 H new ATOM 0 HA SER B 69 -17.937 -13.019 -7.156 1.00 0.00 H new ATOM 0 HB2 SER B 69 -19.856 -13.270 -9.479 1.00 0.00 H new ATOM 0 HB3 SER B 69 -18.304 -12.456 -9.481 1.00 0.00 H new ATOM 0 HG SER B 69 -18.165 -14.613 -10.338 1.00 0.00 H new ATOM 1954 N SER B 70 -20.950 -11.950 -6.797 1.00 0.00 N ATOM 1955 CA SER B 70 -21.766 -10.814 -6.420 1.00 0.00 C ATOM 1956 C SER B 70 -21.192 -10.159 -5.157 1.00 0.00 C ATOM 1957 O SER B 70 -20.913 -8.961 -5.133 1.00 0.00 O ATOM 1958 CB SER B 70 -23.187 -11.289 -6.174 1.00 0.00 C ATOM 1959 OG SER B 70 -23.616 -12.128 -7.245 1.00 0.00 O ATOM 0 H SER B 70 -21.431 -12.848 -6.740 1.00 0.00 H new ATOM 0 HA SER B 70 -21.768 -10.074 -7.220 1.00 0.00 H new ATOM 0 HB2 SER B 70 -23.238 -11.834 -5.232 1.00 0.00 H new ATOM 0 HB3 SER B 70 -23.855 -10.432 -6.083 1.00 0.00 H new ATOM 0 HG SER B 70 -23.432 -13.064 -7.021 1.00 0.00 H new ATOM 1965 N ARG B 71 -20.926 -10.979 -4.143 1.00 0.00 N ATOM 1966 CA ARG B 71 -20.379 -10.490 -2.881 1.00 0.00 C ATOM 1967 C ARG B 71 -18.913 -10.078 -3.051 1.00 0.00 C ATOM 1968 O ARG B 71 -18.391 -9.293 -2.299 1.00 0.00 O ATOM 1969 CB ARG B 71 -20.591 -11.530 -1.746 1.00 0.00 C ATOM 1970 CG ARG B 71 -19.949 -12.904 -1.962 1.00 0.00 C ATOM 1971 CD ARG B 71 -18.656 -13.081 -1.169 1.00 0.00 C ATOM 1972 NE ARG B 71 -18.893 -13.085 0.290 1.00 0.00 N ATOM 1973 CZ ARG B 71 -17.957 -12.866 1.234 1.00 0.00 C ATOM 1974 NH1 ARG B 71 -16.692 -12.704 0.896 1.00 0.00 N ATOM 1975 NH2 ARG B 71 -18.290 -12.833 2.514 1.00 0.00 N ATOM 0 H ARG B 71 -21.081 -11.987 -4.171 1.00 0.00 H new ATOM 0 HA ARG B 71 -20.922 -9.594 -2.582 1.00 0.00 H new ATOM 0 HB2 ARG B 71 -20.200 -11.111 -0.819 1.00 0.00 H new ATOM 0 HB3 ARG B 71 -21.663 -11.670 -1.605 1.00 0.00 H new ATOM 0 HG2 ARG B 71 -20.657 -13.681 -1.673 1.00 0.00 H new ATOM 0 HG3 ARG B 71 -19.741 -13.041 -3.023 1.00 0.00 H new ATOM 0 HD2 ARG B 71 -18.178 -14.016 -1.460 1.00 0.00 H new ATOM 0 HD3 ARG B 71 -17.964 -12.277 -1.421 1.00 0.00 H new ATOM 0 HE ARG B 71 -19.844 -13.269 0.609 1.00 0.00 H new ATOM 0 HH11 ARG B 71 -16.417 -12.744 -0.085 1.00 0.00 H new ATOM 0 HH12 ARG B 71 -15.989 -12.539 1.616 1.00 0.00 H new ATOM 0 HH21 ARG B 71 -19.261 -12.974 2.792 1.00 0.00 H new ATOM 0 HH22 ARG B 71 -17.576 -12.667 3.223 1.00 0.00 H new ATOM 1989 N HIS B 72 -18.291 -10.593 -4.100 1.00 0.00 N ATOM 1990 CA HIS B 72 -16.910 -10.268 -4.450 1.00 0.00 C ATOM 1991 C HIS B 72 -16.847 -8.868 -5.114 1.00 0.00 C ATOM 1992 O HIS B 72 -15.798 -8.208 -5.122 1.00 0.00 O ATOM 1993 CB HIS B 72 -16.378 -11.366 -5.406 1.00 0.00 C ATOM 1994 CG HIS B 72 -14.917 -11.282 -5.798 1.00 0.00 C ATOM 1995 ND1 HIS B 72 -14.429 -11.680 -7.029 1.00 0.00 N ATOM 1996 CD2 HIS B 72 -13.833 -10.914 -5.075 1.00 0.00 C ATOM 1997 CE1 HIS B 72 -13.105 -11.550 -7.017 1.00 0.00 C ATOM 1998 NE2 HIS B 72 -12.683 -11.085 -5.853 1.00 0.00 N ATOM 0 H HIS B 72 -18.731 -11.254 -4.740 1.00 0.00 H new ATOM 0 HA HIS B 72 -16.287 -10.237 -3.556 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -16.549 -12.336 -4.938 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -16.976 -11.342 -6.317 1.00 0.00 H new ATOM 0 HD1 HIS B 72 -14.989 -12.016 -7.813 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -13.853 -10.547 -4.059 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -12.460 -11.792 -7.848 1.00 0.00 H new ATOM 2006 N SER B 73 -17.988 -8.405 -5.616 1.00 0.00 N ATOM 2007 CA SER B 73 -18.055 -7.127 -6.314 1.00 0.00 C ATOM 2008 C SER B 73 -18.245 -5.955 -5.346 1.00 0.00 C ATOM 2009 O SER B 73 -18.129 -4.778 -5.718 1.00 0.00 O ATOM 2010 CB SER B 73 -19.141 -7.166 -7.384 1.00 0.00 C ATOM 2011 OG SER B 73 -18.917 -8.255 -8.281 1.00 0.00 O ATOM 0 H SER B 73 -18.879 -8.897 -5.552 1.00 0.00 H new ATOM 0 HA SER B 73 -17.098 -6.961 -6.809 1.00 0.00 H new ATOM 0 HB2 SER B 73 -20.119 -7.268 -6.915 1.00 0.00 H new ATOM 0 HB3 SER B 73 -19.150 -6.227 -7.937 1.00 0.00 H new ATOM 0 HG SER B 73 -19.117 -9.100 -7.826 1.00 0.00 H new ATOM 2017 N LYS B 74 -18.517 -6.287 -4.130 1.00 0.00 N ATOM 2018 CA LYS B 74 -18.666 -5.326 -3.056 1.00 0.00 C ATOM 2019 C LYS B 74 -18.249 -5.991 -1.770 1.00 0.00 C ATOM 2020 O LYS B 74 -19.062 -6.289 -0.890 1.00 0.00 O ATOM 2021 CB LYS B 74 -20.103 -4.741 -2.964 1.00 0.00 C ATOM 2022 CG LYS B 74 -20.384 -3.703 -1.821 1.00 0.00 C ATOM 2023 CD LYS B 74 -19.670 -2.332 -1.962 1.00 0.00 C ATOM 2024 CE LYS B 74 -18.180 -2.375 -1.630 1.00 0.00 C ATOM 2025 NZ LYS B 74 -17.592 -1.024 -1.545 1.00 0.00 N ATOM 0 H LYS B 74 -18.648 -7.254 -3.833 1.00 0.00 H new ATOM 0 HA LYS B 74 -18.024 -4.468 -3.258 1.00 0.00 H new ATOM 0 HB2 LYS B 74 -20.335 -4.265 -3.917 1.00 0.00 H new ATOM 0 HB3 LYS B 74 -20.799 -5.572 -2.844 1.00 0.00 H new ATOM 0 HG2 LYS B 74 -21.459 -3.528 -1.771 1.00 0.00 H new ATOM 0 HG3 LYS B 74 -20.089 -4.149 -0.871 1.00 0.00 H new ATOM 0 HD2 LYS B 74 -19.795 -1.971 -2.983 1.00 0.00 H new ATOM 0 HD3 LYS B 74 -20.158 -1.610 -1.307 1.00 0.00 H new ATOM 0 HE2 LYS B 74 -18.035 -2.894 -0.682 1.00 0.00 H new ATOM 0 HE3 LYS B 74 -17.655 -2.951 -2.392 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 -16.768 -0.963 -2.177 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 -18.301 -0.318 -1.831 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 -17.292 -0.837 -0.567 1.00 0.00 H new ATOM 2039 N LEU B 75 -17.008 -6.300 -1.702 1.00 0.00 N ATOM 2040 CA LEU B 75 -16.476 -6.934 -0.568 1.00 0.00 C ATOM 2041 C LEU B 75 -15.636 -5.963 0.176 1.00 0.00 C ATOM 2042 O LEU B 75 -14.806 -5.259 -0.416 1.00 0.00 O ATOM 2043 CB LEU B 75 -15.702 -8.172 -0.983 1.00 0.00 C ATOM 2044 CG LEU B 75 -15.425 -9.148 0.132 1.00 0.00 C ATOM 2045 CD1 LEU B 75 -16.728 -9.528 0.796 1.00 0.00 C ATOM 2046 CD2 LEU B 75 -14.725 -10.383 -0.398 1.00 0.00 C ATOM 0 H LEU B 75 -16.331 -6.116 -2.442 1.00 0.00 H new ATOM 0 HA LEU B 75 -17.274 -7.266 0.096 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -16.259 -8.686 -1.767 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -14.753 -7.861 -1.419 1.00 0.00 H new ATOM 0 HG LEU B 75 -14.768 -8.677 0.863 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -16.533 -10.234 1.603 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -17.203 -8.635 1.202 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -17.389 -9.990 0.062 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -14.535 -11.074 0.423 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -15.357 -10.869 -1.142 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -13.779 -10.096 -0.857 1.00 0.00 H new ATOM 2058 N GLU B 76 -15.859 -5.891 1.451 1.00 0.00 N ATOM 2059 CA GLU B 76 -15.169 -4.961 2.249 1.00 0.00 C ATOM 2060 C GLU B 76 -13.851 -5.525 2.624 1.00 0.00 C ATOM 2061 O GLU B 76 -13.706 -6.743 2.736 1.00 0.00 O ATOM 2062 CB GLU B 76 -15.993 -4.567 3.459 1.00 0.00 C ATOM 2063 CG GLU B 76 -17.239 -3.788 3.077 1.00 0.00 C ATOM 2064 CD GLU B 76 -16.902 -2.514 2.336 1.00 0.00 C ATOM 2065 OE1 GLU B 76 -15.985 -1.782 2.767 1.00 0.00 O ATOM 2066 OE2 GLU B 76 -17.539 -2.226 1.315 1.00 0.00 O ATOM 0 H GLU B 76 -16.524 -6.478 1.954 1.00 0.00 H new ATOM 0 HA GLU B 76 -15.000 -4.045 1.683 1.00 0.00 H new ATOM 0 HB2 GLU B 76 -16.281 -5.464 4.007 1.00 0.00 H new ATOM 0 HB3 GLU B 76 -15.382 -3.965 4.132 1.00 0.00 H new ATOM 0 HG2 GLU B 76 -17.880 -4.412 2.454 1.00 0.00 H new ATOM 0 HG3 GLU B 76 -17.806 -3.546 3.976 1.00 0.00 H new ATOM 2073 N LYS B 77 -12.902 -4.657 2.816 1.00 0.00 N ATOM 2074 CA LYS B 77 -11.541 -5.031 3.096 1.00 0.00 C ATOM 2075 C LYS B 77 -11.429 -5.921 4.320 1.00 0.00 C ATOM 2076 O LYS B 77 -10.648 -6.867 4.346 1.00 0.00 O ATOM 2077 CB LYS B 77 -10.713 -3.782 3.205 1.00 0.00 C ATOM 2078 CG LYS B 77 -9.296 -4.006 3.645 1.00 0.00 C ATOM 2079 CD LYS B 77 -8.361 -2.945 3.083 1.00 0.00 C ATOM 2080 CE LYS B 77 -8.862 -1.558 3.364 1.00 0.00 C ATOM 2081 NZ LYS B 77 -8.094 -0.533 2.630 1.00 0.00 N ATOM 0 H LYS B 77 -13.052 -3.649 2.782 1.00 0.00 H new ATOM 0 HA LYS B 77 -11.156 -5.636 2.275 1.00 0.00 H new ATOM 0 HB2 LYS B 77 -10.704 -3.283 2.236 1.00 0.00 H new ATOM 0 HB3 LYS B 77 -11.195 -3.103 3.909 1.00 0.00 H new ATOM 0 HG2 LYS B 77 -9.246 -3.996 4.734 1.00 0.00 H new ATOM 0 HG3 LYS B 77 -8.965 -4.992 3.320 1.00 0.00 H new ATOM 0 HD2 LYS B 77 -7.369 -3.068 3.516 1.00 0.00 H new ATOM 0 HD3 LYS B 77 -8.258 -3.084 2.007 1.00 0.00 H new ATOM 0 HE2 LYS B 77 -9.914 -1.490 3.087 1.00 0.00 H new ATOM 0 HE3 LYS B 77 -8.800 -1.360 4.434 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 -8.472 0.410 2.852 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 -7.094 -0.580 2.912 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 -8.174 -0.706 1.608 1.00 0.00 H new ATOM 2095 N ALA B 78 -12.257 -5.645 5.288 1.00 0.00 N ATOM 2096 CA ALA B 78 -12.330 -6.440 6.499 1.00 0.00 C ATOM 2097 C ALA B 78 -12.757 -7.880 6.198 1.00 0.00 C ATOM 2098 O ALA B 78 -12.322 -8.819 6.880 1.00 0.00 O ATOM 2099 CB ALA B 78 -13.284 -5.806 7.487 1.00 0.00 C ATOM 0 H ALA B 78 -12.907 -4.859 5.267 1.00 0.00 H new ATOM 0 HA ALA B 78 -11.333 -6.472 6.938 1.00 0.00 H new ATOM 0 HB1 ALA B 78 -13.329 -6.414 8.391 1.00 0.00 H new ATOM 0 HB2 ALA B 78 -12.934 -4.805 7.740 1.00 0.00 H new ATOM 0 HB3 ALA B 78 -14.278 -5.742 7.044 1.00 0.00 H new ATOM 2105 N ASP B 79 -13.567 -8.067 5.148 1.00 0.00 N ATOM 2106 CA ASP B 79 -14.030 -9.415 4.817 1.00 0.00 C ATOM 2107 C ASP B 79 -12.943 -10.135 4.107 1.00 0.00 C ATOM 2108 O ASP B 79 -12.600 -11.239 4.446 1.00 0.00 O ATOM 2109 CB ASP B 79 -15.262 -9.427 3.930 1.00 0.00 C ATOM 2110 CG ASP B 79 -15.815 -10.858 3.754 1.00 0.00 C ATOM 2111 OD1 ASP B 79 -15.359 -11.601 2.873 1.00 0.00 O ATOM 2112 OD2 ASP B 79 -16.744 -11.258 4.510 1.00 0.00 O ATOM 0 H ASP B 79 -13.905 -7.327 4.533 1.00 0.00 H new ATOM 0 HA ASP B 79 -14.297 -9.897 5.758 1.00 0.00 H new ATOM 0 HB2 ASP B 79 -16.031 -8.789 4.365 1.00 0.00 H new ATOM 0 HB3 ASP B 79 -15.014 -9.008 2.955 1.00 0.00 H new ATOM 2117 N ILE B 80 -12.386 -9.450 3.140 1.00 0.00 N ATOM 2118 CA ILE B 80 -11.309 -9.937 2.286 1.00 0.00 C ATOM 2119 C ILE B 80 -10.120 -10.420 3.111 1.00 0.00 C ATOM 2120 O ILE B 80 -9.668 -11.566 2.960 1.00 0.00 O ATOM 2121 CB ILE B 80 -10.871 -8.795 1.343 1.00 0.00 C ATOM 2122 CG1 ILE B 80 -12.078 -8.350 0.537 1.00 0.00 C ATOM 2123 CG2 ILE B 80 -9.749 -9.241 0.429 1.00 0.00 C ATOM 2124 CD1 ILE B 80 -11.923 -7.066 -0.221 1.00 0.00 C ATOM 0 H ILE B 80 -12.675 -8.499 2.910 1.00 0.00 H new ATOM 0 HA ILE B 80 -11.673 -10.786 1.707 1.00 0.00 H new ATOM 0 HB ILE B 80 -10.491 -7.961 1.933 1.00 0.00 H new ATOM 0 HG12 ILE B 80 -12.328 -9.140 -0.172 1.00 0.00 H new ATOM 0 HG13 ILE B 80 -12.926 -8.249 1.215 1.00 0.00 H new ATOM 0 HG21 ILE B 80 -9.462 -8.416 -0.223 1.00 0.00 H new ATOM 0 HG22 ILE B 80 -8.891 -9.546 1.028 1.00 0.00 H new ATOM 0 HG23 ILE B 80 -10.086 -10.082 -0.177 1.00 0.00 H new ATOM 0 HD11 ILE B 80 -12.845 -6.847 -0.759 1.00 0.00 H new ATOM 0 HD12 ILE B 80 -11.709 -6.256 0.476 1.00 0.00 H new ATOM 0 HD13 ILE B 80 -11.102 -7.160 -0.932 1.00 0.00 H new ATOM 2136 N LEU B 81 -9.642 -9.563 3.987 1.00 0.00 N ATOM 2137 CA LEU B 81 -8.525 -9.886 4.857 1.00 0.00 C ATOM 2138 C LEU B 81 -8.833 -11.105 5.695 1.00 0.00 C ATOM 2139 O LEU B 81 -8.072 -12.074 5.686 1.00 0.00 O ATOM 2140 CB LEU B 81 -8.166 -8.697 5.751 1.00 0.00 C ATOM 2141 CG LEU B 81 -7.172 -7.652 5.202 1.00 0.00 C ATOM 2142 CD1 LEU B 81 -7.507 -7.227 3.779 1.00 0.00 C ATOM 2143 CD2 LEU B 81 -7.174 -6.441 6.113 1.00 0.00 C ATOM 0 H LEU B 81 -10.014 -8.623 4.118 1.00 0.00 H new ATOM 0 HA LEU B 81 -7.664 -10.111 4.228 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -9.091 -8.178 6.004 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -7.757 -9.090 6.682 1.00 0.00 H new ATOM 0 HG LEU B 81 -6.183 -8.110 5.177 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -6.779 -6.491 3.438 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -7.478 -8.097 3.123 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -8.504 -6.788 3.756 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -6.474 -5.698 5.732 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -8.176 -6.012 6.146 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.874 -6.741 7.117 1.00 0.00 H new ATOM 2155 N GLU B 82 -9.980 -11.086 6.358 1.00 0.00 N ATOM 2156 CA GLU B 82 -10.381 -12.172 7.205 1.00 0.00 C ATOM 2157 C GLU B 82 -10.560 -13.468 6.417 1.00 0.00 C ATOM 2158 O GLU B 82 -10.157 -14.504 6.876 1.00 0.00 O ATOM 2159 CB GLU B 82 -11.660 -11.799 7.951 1.00 0.00 C ATOM 2160 CG GLU B 82 -12.257 -12.867 8.801 1.00 0.00 C ATOM 2161 CD GLU B 82 -13.587 -12.465 9.377 1.00 0.00 C ATOM 2162 OE1 GLU B 82 -13.636 -11.548 10.215 1.00 0.00 O ATOM 2163 OE2 GLU B 82 -14.624 -13.075 9.005 1.00 0.00 O ATOM 0 H GLU B 82 -10.648 -10.316 6.317 1.00 0.00 H new ATOM 0 HA GLU B 82 -9.588 -12.351 7.931 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -11.450 -10.935 8.582 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -12.405 -11.486 7.220 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -12.380 -13.773 8.208 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -11.570 -13.108 9.613 1.00 0.00 H new ATOM 2170 N MET B 83 -11.078 -13.380 5.199 1.00 0.00 N ATOM 2171 CA MET B 83 -11.414 -14.553 4.404 1.00 0.00 C ATOM 2172 C MET B 83 -10.159 -15.323 4.075 1.00 0.00 C ATOM 2173 O MET B 83 -10.117 -16.550 4.159 1.00 0.00 O ATOM 2174 CB MET B 83 -12.142 -14.141 3.119 1.00 0.00 C ATOM 2175 CG MET B 83 -12.829 -15.296 2.401 1.00 0.00 C ATOM 2176 SD MET B 83 -14.024 -16.137 3.457 1.00 0.00 S ATOM 2177 CE MET B 83 -15.191 -14.808 3.746 1.00 0.00 C ATOM 0 H MET B 83 -11.277 -12.494 4.735 1.00 0.00 H new ATOM 0 HA MET B 83 -12.081 -15.192 4.983 1.00 0.00 H new ATOM 0 HB2 MET B 83 -12.887 -13.383 3.362 1.00 0.00 H new ATOM 0 HB3 MET B 83 -11.426 -13.678 2.440 1.00 0.00 H new ATOM 0 HG2 MET B 83 -13.334 -14.920 1.511 1.00 0.00 H new ATOM 0 HG3 MET B 83 -12.078 -16.010 2.064 1.00 0.00 H new ATOM 0 HE1 MET B 83 -16.128 -15.221 4.118 1.00 0.00 H new ATOM 0 HE2 MET B 83 -14.781 -14.118 4.483 1.00 0.00 H new ATOM 0 HE3 MET B 83 -15.374 -14.275 2.813 1.00 0.00 H new ATOM 2187 N THR B 84 -9.144 -14.575 3.768 1.00 0.00 N ATOM 2188 CA THR B 84 -7.845 -15.073 3.445 1.00 0.00 C ATOM 2189 C THR B 84 -7.213 -15.754 4.678 1.00 0.00 C ATOM 2190 O THR B 84 -6.654 -16.846 4.577 1.00 0.00 O ATOM 2191 CB THR B 84 -6.993 -13.886 2.961 1.00 0.00 C ATOM 2192 OG1 THR B 84 -7.760 -13.184 1.978 1.00 0.00 O ATOM 2193 CG2 THR B 84 -5.704 -14.344 2.308 1.00 0.00 C ATOM 0 H THR B 84 -9.202 -13.557 3.735 1.00 0.00 H new ATOM 0 HA THR B 84 -7.904 -15.825 2.658 1.00 0.00 H new ATOM 0 HB THR B 84 -6.738 -13.264 3.819 1.00 0.00 H new ATOM 0 HG1 THR B 84 -8.255 -12.456 2.408 1.00 0.00 H new ATOM 0 HG21 THR B 84 -5.133 -13.475 1.981 1.00 0.00 H new ATOM 0 HG22 THR B 84 -5.116 -14.916 3.026 1.00 0.00 H new ATOM 0 HG23 THR B 84 -5.935 -14.971 1.447 1.00 0.00 H new ATOM 2201 N VAL B 85 -7.368 -15.129 5.840 1.00 0.00 N ATOM 2202 CA VAL B 85 -6.838 -15.669 7.093 1.00 0.00 C ATOM 2203 C VAL B 85 -7.572 -16.957 7.467 1.00 0.00 C ATOM 2204 O VAL B 85 -6.944 -17.977 7.752 1.00 0.00 O ATOM 2205 CB VAL B 85 -6.988 -14.658 8.257 1.00 0.00 C ATOM 2206 CG1 VAL B 85 -6.422 -15.201 9.568 1.00 0.00 C ATOM 2207 CG2 VAL B 85 -6.346 -13.348 7.919 1.00 0.00 C ATOM 0 H VAL B 85 -7.860 -14.241 5.943 1.00 0.00 H new ATOM 0 HA VAL B 85 -5.779 -15.871 6.935 1.00 0.00 H new ATOM 0 HB VAL B 85 -8.057 -14.499 8.399 1.00 0.00 H new ATOM 0 HG11 VAL B 85 -6.550 -14.458 10.355 1.00 0.00 H new ATOM 0 HG12 VAL B 85 -6.951 -16.114 9.842 1.00 0.00 H new ATOM 0 HG13 VAL B 85 -5.361 -15.419 9.444 1.00 0.00 H new ATOM 0 HG21 VAL B 85 -6.467 -12.658 8.754 1.00 0.00 H new ATOM 0 HG22 VAL B 85 -5.284 -13.502 7.726 1.00 0.00 H new ATOM 0 HG23 VAL B 85 -6.819 -12.929 7.031 1.00 0.00 H new ATOM 2217 N LYS B 86 -8.898 -16.906 7.436 1.00 0.00 N ATOM 2218 CA LYS B 86 -9.735 -18.040 7.797 1.00 0.00 C ATOM 2219 C LYS B 86 -9.454 -19.223 6.888 1.00 0.00 C ATOM 2220 O LYS B 86 -9.312 -20.357 7.350 1.00 0.00 O ATOM 2221 CB LYS B 86 -11.218 -17.669 7.748 1.00 0.00 C ATOM 2222 CG LYS B 86 -11.565 -16.443 8.583 1.00 0.00 C ATOM 2223 CD LYS B 86 -13.045 -16.235 8.735 1.00 0.00 C ATOM 2224 CE LYS B 86 -13.720 -15.870 7.422 1.00 0.00 C ATOM 2225 NZ LYS B 86 -15.123 -15.447 7.636 1.00 0.00 N ATOM 0 H LYS B 86 -9.422 -16.076 7.159 1.00 0.00 H new ATOM 0 HA LYS B 86 -9.491 -18.323 8.821 1.00 0.00 H new ATOM 0 HB2 LYS B 86 -11.505 -17.487 6.712 1.00 0.00 H new ATOM 0 HB3 LYS B 86 -11.808 -18.516 8.098 1.00 0.00 H new ATOM 0 HG2 LYS B 86 -11.115 -16.544 9.571 1.00 0.00 H new ATOM 0 HG3 LYS B 86 -11.125 -15.559 8.121 1.00 0.00 H new ATOM 0 HD2 LYS B 86 -13.497 -17.144 9.132 1.00 0.00 H new ATOM 0 HD3 LYS B 86 -13.225 -15.445 9.464 1.00 0.00 H new ATOM 0 HE2 LYS B 86 -13.166 -15.066 6.937 1.00 0.00 H new ATOM 0 HE3 LYS B 86 -13.695 -16.726 6.748 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 -15.561 -15.221 6.720 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 -15.652 -16.217 8.092 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 -15.143 -14.605 8.246 1.00 0.00 H new ATOM 2239 N HIS B 87 -9.301 -18.950 5.599 1.00 0.00 N ATOM 2240 CA HIS B 87 -9.023 -20.002 4.641 1.00 0.00 C ATOM 2241 C HIS B 87 -7.620 -20.573 4.844 1.00 0.00 C ATOM 2242 O HIS B 87 -7.376 -21.756 4.580 1.00 0.00 O ATOM 2243 CB HIS B 87 -9.207 -19.518 3.195 1.00 0.00 C ATOM 2244 CG HIS B 87 -9.013 -20.616 2.181 1.00 0.00 C ATOM 2245 ND1 HIS B 87 -9.633 -21.820 2.078 1.00 0.00 N flip ATOM 2246 CD2 HIS B 87 -8.121 -20.558 1.136 1.00 0.00 C flip ATOM 2247 CE1 HIS B 87 -9.128 -22.501 0.980 1.00 0.00 C flip ATOM 2248 NE2 HIS B 87 -8.223 -21.700 0.448 1.00 0.00 N flip ATOM 0 H HIS B 87 -9.365 -18.014 5.198 1.00 0.00 H new ATOM 0 HA HIS B 87 -9.747 -20.798 4.817 1.00 0.00 H new ATOM 0 HB2 HIS B 87 -10.207 -19.098 3.082 1.00 0.00 H new ATOM 0 HB3 HIS B 87 -8.499 -18.714 2.993 1.00 0.00 H new ATOM 0 HD2 HIS B 87 -7.457 -19.737 0.911 1.00 0.00 H new ATOM 0 HE1 HIS B 87 -9.415 -23.482 0.633 1.00 0.00 H new ATOM 0 HE2 HIS B 87 -7.673 -21.924 -0.381 1.00 0.00 H new ATOM 2256 N LEU B 88 -6.728 -19.759 5.369 1.00 0.00 N ATOM 2257 CA LEU B 88 -5.372 -20.167 5.594 1.00 0.00 C ATOM 2258 C LEU B 88 -5.407 -21.203 6.707 1.00 0.00 C ATOM 2259 O LEU B 88 -4.708 -22.206 6.672 1.00 0.00 O ATOM 2260 CB LEU B 88 -4.537 -18.919 5.988 1.00 0.00 C ATOM 2261 CG LEU B 88 -2.999 -18.986 5.902 1.00 0.00 C ATOM 2262 CD1 LEU B 88 -2.383 -19.968 6.885 1.00 0.00 C ATOM 2263 CD2 LEU B 88 -2.554 -19.267 4.470 1.00 0.00 C ATOM 0 H LEU B 88 -6.930 -18.799 5.649 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.911 -20.603 4.708 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -4.865 -18.092 5.358 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -4.797 -18.661 7.014 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.625 -18.006 6.196 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -1.299 -19.965 6.771 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -2.642 -19.675 7.902 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -2.766 -20.969 6.687 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -1.466 -19.311 4.429 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -2.968 -20.220 4.141 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -2.910 -18.471 3.816 1.00 0.00 H new ATOM 2275 N ARG B 89 -6.309 -20.984 7.648 1.00 0.00 N ATOM 2276 CA ARG B 89 -6.469 -21.871 8.773 1.00 0.00 C ATOM 2277 C ARG B 89 -7.135 -23.155 8.309 1.00 0.00 C ATOM 2278 O ARG B 89 -6.798 -24.230 8.766 1.00 0.00 O ATOM 2279 CB ARG B 89 -7.296 -21.218 9.895 1.00 0.00 C ATOM 2280 CG ARG B 89 -6.885 -19.787 10.259 1.00 0.00 C ATOM 2281 CD ARG B 89 -5.373 -19.623 10.350 1.00 0.00 C ATOM 2282 NE ARG B 89 -4.765 -20.565 11.300 1.00 0.00 N ATOM 2283 CZ ARG B 89 -3.454 -20.777 11.472 1.00 0.00 C ATOM 2284 NH1 ARG B 89 -2.554 -20.129 10.733 1.00 0.00 N ATOM 2285 NH2 ARG B 89 -3.049 -21.648 12.372 1.00 0.00 N ATOM 0 H ARG B 89 -6.946 -20.187 7.648 1.00 0.00 H new ATOM 0 HA ARG B 89 -5.483 -22.093 9.180 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -8.344 -21.213 9.596 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -7.222 -21.839 10.788 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -7.278 -19.098 9.512 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -7.336 -19.514 11.213 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -4.934 -19.771 9.363 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -5.138 -18.603 10.653 1.00 0.00 H new ATOM 0 HE ARG B 89 -5.401 -21.108 11.883 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -2.861 -19.461 10.025 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -1.559 -20.301 10.875 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -3.732 -22.157 12.933 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -2.052 -21.814 12.508 1.00 0.00 H new ATOM 2299 N ASN B 90 -8.055 -23.020 7.351 1.00 0.00 N ATOM 2300 CA ASN B 90 -8.759 -24.163 6.745 1.00 0.00 C ATOM 2301 C ASN B 90 -7.767 -25.095 6.097 1.00 0.00 C ATOM 2302 O ASN B 90 -7.870 -26.312 6.204 1.00 0.00 O ATOM 2303 CB ASN B 90 -9.787 -23.719 5.687 1.00 0.00 C ATOM 2304 CG ASN B 90 -10.966 -22.922 6.236 1.00 0.00 C ATOM 2305 OD1 ASN B 90 -11.582 -22.093 5.399 1.00 0.00 O flip ATOM 2306 ND2 ASN B 90 -11.356 -23.086 7.399 1.00 0.00 N flip ATOM 0 H ASN B 90 -8.336 -22.116 6.970 1.00 0.00 H new ATOM 0 HA ASN B 90 -9.293 -24.671 7.548 1.00 0.00 H new ATOM 0 HB2 ASN B 90 -9.277 -23.116 4.936 1.00 0.00 H new ATOM 0 HB3 ASN B 90 -10.170 -24.604 5.179 1.00 0.00 H new ATOM 0 HD21 ASN B 90 -10.861 -23.730 8.017 1.00 0.00 H new ATOM 0 HD22 ASN B 90 -12.172 -22.578 7.740 1.00 0.00 H new ATOM 2313 N LEU B 91 -6.807 -24.516 5.431 1.00 0.00 N ATOM 2314 CA LEU B 91 -5.744 -25.268 4.831 1.00 0.00 C ATOM 2315 C LEU B 91 -4.875 -25.884 5.894 1.00 0.00 C ATOM 2316 O LEU B 91 -4.580 -27.062 5.847 1.00 0.00 O ATOM 2317 CB LEU B 91 -4.928 -24.375 3.911 1.00 0.00 C ATOM 2318 CG LEU B 91 -5.636 -23.943 2.637 1.00 0.00 C ATOM 2319 CD1 LEU B 91 -4.845 -22.864 1.939 1.00 0.00 C ATOM 2320 CD2 LEU B 91 -5.802 -25.141 1.723 1.00 0.00 C ATOM 0 H LEU B 91 -6.741 -23.508 5.290 1.00 0.00 H new ATOM 0 HA LEU B 91 -6.172 -26.074 4.235 1.00 0.00 H new ATOM 0 HB2 LEU B 91 -4.632 -23.483 4.464 1.00 0.00 H new ATOM 0 HB3 LEU B 91 -4.012 -24.900 3.639 1.00 0.00 H new ATOM 0 HG LEU B 91 -6.617 -23.542 2.891 1.00 0.00 H new ATOM 0 HD11 LEU B 91 -5.364 -22.564 1.028 1.00 0.00 H new ATOM 0 HD12 LEU B 91 -4.743 -22.003 2.599 1.00 0.00 H new ATOM 0 HD13 LEU B 91 -3.856 -23.245 1.685 1.00 0.00 H new ATOM 0 HD21 LEU B 91 -6.310 -24.834 0.809 1.00 0.00 H new ATOM 0 HD22 LEU B 91 -4.822 -25.548 1.475 1.00 0.00 H new ATOM 0 HD23 LEU B 91 -6.394 -25.904 2.228 1.00 0.00 H new ATOM 2332 N GLN B 92 -4.556 -25.110 6.901 1.00 0.00 N ATOM 2333 CA GLN B 92 -3.649 -25.538 7.960 1.00 0.00 C ATOM 2334 C GLN B 92 -4.204 -26.686 8.801 1.00 0.00 C ATOM 2335 O GLN B 92 -3.445 -27.511 9.312 1.00 0.00 O ATOM 2336 CB GLN B 92 -3.234 -24.354 8.828 1.00 0.00 C ATOM 2337 CG GLN B 92 -2.227 -23.418 8.184 1.00 0.00 C ATOM 2338 CD GLN B 92 -0.864 -24.030 7.994 1.00 0.00 C ATOM 2339 OE1 GLN B 92 -0.706 -25.233 7.794 1.00 0.00 O ATOM 2340 NE2 GLN B 92 0.122 -23.211 8.054 1.00 0.00 N ATOM 0 H GLN B 92 -4.914 -24.162 7.018 1.00 0.00 H new ATOM 0 HA GLN B 92 -2.760 -25.934 7.470 1.00 0.00 H new ATOM 0 HB2 GLN B 92 -4.125 -23.783 9.090 1.00 0.00 H new ATOM 0 HB3 GLN B 92 -2.813 -24.733 9.759 1.00 0.00 H new ATOM 0 HG2 GLN B 92 -2.610 -23.098 7.215 1.00 0.00 H new ATOM 0 HG3 GLN B 92 -2.131 -22.524 8.799 1.00 0.00 H new ATOM 0 HE21 GLN B 92 -0.048 -22.219 8.222 1.00 0.00 H new ATOM 0 HE22 GLN B 92 1.076 -23.552 7.934 1.00 0.00 H new ATOM 2349 N ARG B 93 -5.514 -26.775 8.904 1.00 0.00 N ATOM 2350 CA ARG B 93 -6.139 -27.838 9.692 1.00 0.00 C ATOM 2351 C ARG B 93 -6.298 -29.100 8.867 1.00 0.00 C ATOM 2352 O ARG B 93 -6.662 -30.152 9.375 1.00 0.00 O ATOM 2353 CB ARG B 93 -7.491 -27.369 10.290 1.00 0.00 C ATOM 2354 CG ARG B 93 -8.519 -26.855 9.275 1.00 0.00 C ATOM 2355 CD ARG B 93 -9.214 -27.962 8.473 1.00 0.00 C ATOM 2356 NE ARG B 93 -9.983 -28.886 9.312 1.00 0.00 N ATOM 2357 CZ ARG B 93 -10.813 -29.831 8.845 1.00 0.00 C ATOM 2358 NH1 ARG B 93 -11.063 -29.923 7.539 1.00 0.00 N ATOM 2359 NH2 ARG B 93 -11.417 -30.659 9.686 1.00 0.00 N ATOM 0 H ARG B 93 -6.170 -26.133 8.459 1.00 0.00 H new ATOM 0 HA ARG B 93 -5.480 -28.073 10.528 1.00 0.00 H new ATOM 0 HB2 ARG B 93 -7.933 -28.200 10.839 1.00 0.00 H new ATOM 0 HB3 ARG B 93 -7.293 -26.578 11.013 1.00 0.00 H new ATOM 0 HG2 ARG B 93 -9.275 -26.274 9.803 1.00 0.00 H new ATOM 0 HG3 ARG B 93 -8.022 -26.177 8.582 1.00 0.00 H new ATOM 0 HD2 ARG B 93 -9.880 -27.507 7.740 1.00 0.00 H new ATOM 0 HD3 ARG B 93 -8.464 -28.525 7.917 1.00 0.00 H new ATOM 0 HE ARG B 93 -9.880 -28.805 10.323 1.00 0.00 H new ATOM 0 HH11 ARG B 93 -10.622 -29.273 6.888 1.00 0.00 H new ATOM 0 HH12 ARG B 93 -11.695 -30.644 7.190 1.00 0.00 H new ATOM 0 HH21 ARG B 93 -11.251 -30.578 10.689 1.00 0.00 H new ATOM 0 HH22 ARG B 93 -12.048 -31.377 9.330 1.00 0.00 H new ATOM 2373 N ALA B 94 -6.003 -28.985 7.588 1.00 0.00 N ATOM 2374 CA ALA B 94 -6.152 -30.080 6.642 1.00 0.00 C ATOM 2375 C ALA B 94 -4.934 -30.990 6.678 1.00 0.00 C ATOM 2376 O ALA B 94 -4.801 -31.917 5.886 1.00 0.00 O ATOM 2377 CB ALA B 94 -6.327 -29.518 5.246 1.00 0.00 C ATOM 0 H ALA B 94 -5.650 -28.124 7.170 1.00 0.00 H new ATOM 0 HA ALA B 94 -7.029 -30.665 6.918 1.00 0.00 H new ATOM 0 HB1 ALA B 94 -6.439 -30.337 4.535 1.00 0.00 H new ATOM 0 HB2 ALA B 94 -7.216 -28.888 5.216 1.00 0.00 H new ATOM 0 HB3 ALA B 94 -5.452 -28.924 4.981 1.00 0.00 H new ATOM 2383 N GLN B 95 -4.059 -30.718 7.579 1.00 0.00 N ATOM 2384 CA GLN B 95 -2.836 -31.430 7.692 1.00 0.00 C ATOM 2385 C GLN B 95 -2.804 -32.184 8.995 1.00 0.00 C ATOM 2386 O GLN B 95 -3.029 -33.412 8.973 1.00 0.00 O ATOM 2387 CB GLN B 95 -1.681 -30.450 7.520 1.00 0.00 C ATOM 2388 CG GLN B 95 -1.605 -29.936 6.085 1.00 0.00 C ATOM 2389 CD GLN B 95 -1.101 -28.523 5.959 1.00 0.00 C ATOM 2390 OE1 GLN B 95 0.100 -28.274 5.847 1.00 0.00 O ATOM 2391 NE2 GLN B 95 -2.017 -27.588 5.952 1.00 0.00 N ATOM 0 H GLN B 95 -4.175 -29.979 8.273 1.00 0.00 H new ATOM 0 HA GLN B 95 -2.740 -32.180 6.907 1.00 0.00 H new ATOM 0 HB2 GLN B 95 -1.807 -29.611 8.204 1.00 0.00 H new ATOM 0 HB3 GLN B 95 -0.743 -30.938 7.785 1.00 0.00 H new ATOM 0 HG2 GLN B 95 -0.954 -30.594 5.510 1.00 0.00 H new ATOM 0 HG3 GLN B 95 -2.597 -29.997 5.637 1.00 0.00 H new ATOM 0 HE21 GLN B 95 -3.001 -27.838 6.048 1.00 0.00 H new ATOM 0 HE22 GLN B 95 -1.746 -26.610 5.851 1.00 0.00 H new