USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 827 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 101 THR OG1 : rot -99:sc= 0.929 USER MOD Set 1.2: A 103 THR OG1 : rot 33:sc= 0.0144 USER MOD Set 2.1: A 38 SER OG : rot -136:sc= 0.458 USER MOD Set 2.2: A 42 ASN : amide:sc= -0.0922 X(o=1.7,f=1.3) USER MOD Set 2.3: A 100 GLN :FLIP amide:sc= -0.0528 F(o=0.44,f=1.7) USER MOD Set 2.4: A 102 TYR OH : rot 31:sc= 1.4 USER MOD Set 3.1: A 22 LYS NZ :NH3+ -138:sc= 0 (180deg=0) USER MOD Set 3.2: A 35 LYS NZ :NH3+ 153:sc= -1.77 (180deg=-3.36!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00111 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -6:sc= -0.151 USER MOD Single : A 26 THR OG1 : rot -4:sc= 0.363 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.79! F(o=-1.7,f=-0.79!) USER MOD Single : A 30 ASN : amide:sc= -0.0789 K(o=-0.079,f=-2.3!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.415 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 53:sc= -0.744 USER MOD Single : A 64 THR OG1 : rot 51:sc= 1.05 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0403 USER MOD Single : A 68 THR OG1 : rot -67:sc= 0.808 USER MOD Single : A 69 MET CE :methyl 143:sc= -1.6 (180deg=-4.44!) USER MOD Single : A 72 ASN : amide:sc= -0.26 K(o=-0.26,f=-0.84!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 166:sc= -1.9 (180deg=-2.16) USER MOD Single : A 79 LYS NZ :NH3+ 148:sc=-0.00229 (180deg=-1.11) USER MOD Single : A 83 ASN : amide:sc= 0.136 X(o=0.14,f=-0.34) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 39:sc= 0.396 USER MOD Single : A 96 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.19) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 160:sc= -0.127 (180deg=-0.617) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N PHE A 2 12.806 -10.606 3.946 1.00 0.00 N ATOM 14 CA PHE A 2 11.610 -9.769 4.151 1.00 0.00 C ATOM 15 C PHE A 2 11.539 -9.532 5.674 1.00 0.00 C ATOM 16 O PHE A 2 11.271 -8.431 6.118 1.00 0.00 O ATOM 17 CB PHE A 2 10.314 -10.431 3.711 1.00 0.00 C ATOM 18 CG PHE A 2 9.790 -9.906 2.386 1.00 0.00 C ATOM 19 CD1 PHE A 2 10.636 -9.614 1.365 1.00 0.00 C ATOM 20 CD2 PHE A 2 8.451 -9.707 2.167 1.00 0.00 C ATOM 21 CE1 PHE A 2 10.057 -9.137 0.193 1.00 0.00 C ATOM 22 CE2 PHE A 2 7.974 -9.230 0.963 1.00 0.00 C ATOM 23 CZ PHE A 2 8.704 -8.959 0.027 1.00 0.00 C ATOM 0 HA PHE A 2 11.703 -8.862 3.554 1.00 0.00 H new ATOM 0 HB2 PHE A 2 10.473 -11.506 3.630 1.00 0.00 H new ATOM 0 HB3 PHE A 2 9.557 -10.277 4.480 1.00 0.00 H new ATOM 0 HD1 PHE A 2 11.704 -9.745 1.458 1.00 0.00 H new ATOM 0 HD2 PHE A 2 7.751 -9.930 2.958 1.00 0.00 H new ATOM 0 HE1 PHE A 2 10.708 -8.893 -0.634 1.00 0.00 H new ATOM 0 HE2 PHE A 2 6.909 -9.091 0.846 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.301 -8.590 -0.905 1.00 0.00 H new ATOM 33 N ASP A 3 11.807 -10.673 6.378 1.00 0.00 N ATOM 34 CA ASP A 3 11.774 -10.577 7.796 1.00 0.00 C ATOM 35 C ASP A 3 12.538 -9.420 8.415 1.00 0.00 C ATOM 36 O ASP A 3 13.744 -9.607 8.547 1.00 0.00 O ATOM 37 CB ASP A 3 12.367 -11.882 8.408 1.00 0.00 C ATOM 38 CG ASP A 3 13.359 -12.566 7.513 1.00 0.00 C ATOM 39 OD1 ASP A 3 14.269 -12.013 6.895 1.00 0.00 O ATOM 40 OD2 ASP A 3 13.229 -13.799 7.400 1.00 0.00 O ATOM 0 H ASP A 3 12.029 -11.588 5.986 1.00 0.00 H new ATOM 0 HA ASP A 3 10.721 -10.411 8.025 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.849 -11.643 9.356 1.00 0.00 H new ATOM 0 HB3 ASP A 3 11.553 -12.572 8.630 1.00 0.00 H new ATOM 45 N GLY A 4 11.826 -8.348 8.744 1.00 0.00 N ATOM 46 CA GLY A 4 12.603 -7.260 9.340 1.00 0.00 C ATOM 47 C GLY A 4 11.778 -6.016 9.072 1.00 0.00 C ATOM 48 O GLY A 4 11.015 -5.984 8.109 1.00 0.00 O ATOM 0 H GLY A 4 10.822 -8.208 8.628 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.751 -7.416 10.409 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.593 -7.185 8.889 1.00 0.00 H new ATOM 52 N THR A 5 11.926 -4.991 9.922 1.00 0.00 N ATOM 53 CA THR A 5 11.111 -3.821 9.621 1.00 0.00 C ATOM 54 C THR A 5 11.584 -3.226 8.312 1.00 0.00 C ATOM 55 O THR A 5 12.657 -3.606 7.823 1.00 0.00 O ATOM 56 CB THR A 5 11.402 -2.786 10.725 1.00 0.00 C ATOM 57 OG1 THR A 5 12.743 -2.634 11.043 1.00 0.00 O ATOM 58 CG2 THR A 5 10.641 -3.124 12.022 1.00 0.00 C ATOM 0 H THR A 5 12.535 -4.946 10.739 1.00 0.00 H new ATOM 0 HA THR A 5 10.054 -4.082 9.563 1.00 0.00 H new ATOM 0 HB THR A 5 11.059 -1.844 10.298 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.838 -1.960 11.748 1.00 0.00 H new ATOM 0 HG21 THR A 5 10.867 -2.376 12.782 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.569 -3.128 11.824 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.948 -4.107 12.378 1.00 0.00 H new ATOM 66 N TRP A 6 10.796 -2.302 7.760 1.00 0.00 N ATOM 67 CA TRP A 6 11.041 -1.616 6.548 1.00 0.00 C ATOM 68 C TRP A 6 10.591 -0.130 6.598 1.00 0.00 C ATOM 69 O TRP A 6 9.640 0.099 7.297 1.00 0.00 O ATOM 70 CB TRP A 6 10.199 -2.093 5.328 1.00 0.00 C ATOM 71 CG TRP A 6 10.369 -3.480 4.904 1.00 0.00 C ATOM 72 CD1 TRP A 6 9.997 -4.639 5.622 1.00 0.00 C ATOM 73 CD2 TRP A 6 10.946 -4.067 3.675 1.00 0.00 C ATOM 74 NE1 TRP A 6 10.325 -5.674 4.881 1.00 0.00 N ATOM 75 CE2 TRP A 6 10.918 -5.479 3.656 1.00 0.00 C ATOM 76 CE3 TRP A 6 11.499 -3.519 2.551 1.00 0.00 C ATOM 77 CZ2 TRP A 6 11.397 -6.191 2.619 1.00 0.00 C ATOM 78 CZ3 TRP A 6 11.996 -4.241 1.484 1.00 0.00 C ATOM 79 CH2 TRP A 6 11.956 -5.608 1.491 1.00 0.00 C ATOM 0 H TRP A 6 9.921 -2.014 8.197 1.00 0.00 H new ATOM 0 HA TRP A 6 12.111 -1.792 6.435 1.00 0.00 H new ATOM 0 HB2 TRP A 6 9.146 -1.938 5.562 1.00 0.00 H new ATOM 0 HB3 TRP A 6 10.436 -1.449 4.481 1.00 0.00 H new ATOM 0 HD1 TRP A 6 9.531 -4.669 6.596 1.00 0.00 H new ATOM 0 HE1 TRP A 6 10.140 -6.620 5.214 1.00 0.00 H new ATOM 0 HE3 TRP A 6 11.551 -2.442 2.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 11.344 -7.269 2.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 12.420 -3.722 0.637 1.00 0.00 H new ATOM 0 HH2 TRP A 6 12.336 -6.197 0.669 1.00 0.00 H new ATOM 90 N LYS A 7 11.306 0.698 5.850 1.00 0.00 N ATOM 91 CA LYS A 7 11.066 2.097 5.682 1.00 0.00 C ATOM 92 C LYS A 7 11.032 2.967 6.957 1.00 0.00 C ATOM 93 O LYS A 7 11.190 2.443 8.022 1.00 0.00 O ATOM 94 CB LYS A 7 9.619 2.267 5.091 1.00 0.00 C ATOM 95 CG LYS A 7 9.701 1.509 3.823 1.00 0.00 C ATOM 96 CD LYS A 7 8.363 1.407 3.059 1.00 0.00 C ATOM 97 CE LYS A 7 7.078 1.580 3.851 1.00 0.00 C ATOM 98 NZ LYS A 7 5.895 1.232 3.021 1.00 0.00 N ATOM 0 H LYS A 7 12.115 0.377 5.318 1.00 0.00 H new ATOM 0 HA LYS A 7 11.903 2.429 5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.858 1.862 5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.370 3.315 4.922 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.440 1.982 3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.062 0.503 4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.372 2.156 2.268 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.328 0.432 2.574 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.104 0.947 4.738 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.995 2.610 4.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.028 1.357 3.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.861 1.853 2.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.967 0.242 2.712 1.00 0.00 H new ATOM 112 N VAL A 8 10.782 4.200 6.530 1.00 0.00 N ATOM 113 CA VAL A 8 10.551 5.354 7.371 1.00 0.00 C ATOM 114 C VAL A 8 11.251 5.477 8.675 1.00 0.00 C ATOM 115 O VAL A 8 11.532 4.666 9.529 1.00 0.00 O ATOM 116 CB VAL A 8 9.002 5.230 7.555 1.00 0.00 C ATOM 117 CG1 VAL A 8 8.606 5.177 9.008 1.00 0.00 C ATOM 118 CG2 VAL A 8 8.263 6.446 7.039 1.00 0.00 C ATOM 0 H VAL A 8 10.734 4.426 5.537 1.00 0.00 H new ATOM 0 HA VAL A 8 10.956 6.251 6.903 1.00 0.00 H new ATOM 0 HB VAL A 8 8.746 4.320 7.012 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.522 5.091 9.087 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.074 4.314 9.481 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.935 6.088 9.508 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.192 6.312 7.189 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.597 7.331 7.580 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.467 6.572 5.976 1.00 0.00 H new ATOM 300 N LEU A 21 4.128 5.350 7.341 1.00 0.00 N ATOM 301 CA LEU A 21 4.045 4.062 6.637 1.00 0.00 C ATOM 302 C LEU A 21 5.360 3.393 7.063 1.00 0.00 C ATOM 303 O LEU A 21 6.273 4.133 7.390 1.00 0.00 O ATOM 304 CB LEU A 21 3.958 4.240 5.127 1.00 0.00 C ATOM 305 CG LEU A 21 3.454 5.590 4.598 1.00 0.00 C ATOM 306 CD1 LEU A 21 4.661 6.503 4.282 1.00 0.00 C ATOM 307 CD2 LEU A 21 2.659 5.463 3.289 1.00 0.00 C ATOM 0 HA LEU A 21 3.155 3.482 6.882 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.950 4.065 4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.305 3.460 4.734 1.00 0.00 H new ATOM 0 HG LEU A 21 2.807 5.996 5.376 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.303 7.462 3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.243 6.663 5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.288 6.029 3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.330 6.451 2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.293 5.022 2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.790 4.826 3.452 1.00 0.00 H new ATOM 319 N LYS A 22 5.337 2.054 7.020 1.00 0.00 N ATOM 320 CA LYS A 22 6.502 1.294 7.392 1.00 0.00 C ATOM 321 C LYS A 22 6.107 -0.192 7.199 1.00 0.00 C ATOM 322 O LYS A 22 5.150 -0.610 7.780 1.00 0.00 O ATOM 323 CB LYS A 22 6.705 1.308 8.935 1.00 0.00 C ATOM 324 CG LYS A 22 5.554 1.901 9.741 1.00 0.00 C ATOM 325 CD LYS A 22 5.777 1.944 11.231 1.00 0.00 C ATOM 326 CE LYS A 22 7.208 1.591 11.642 1.00 0.00 C ATOM 327 NZ LYS A 22 7.375 1.504 13.100 1.00 0.00 N ATOM 0 H LYS A 22 4.532 1.497 6.734 1.00 0.00 H new ATOM 0 HA LYS A 22 7.356 1.680 6.835 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.873 0.285 9.272 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.611 1.870 9.160 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.367 2.915 9.387 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.653 1.322 9.540 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.537 2.942 11.598 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.087 1.252 11.714 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.487 0.638 11.191 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.891 2.343 11.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.270 1.957 13.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.583 1.988 13.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.390 0.505 13.389 1.00 0.00 H new ATOM 341 N LEU A 23 6.930 -0.807 6.380 1.00 0.00 N ATOM 342 CA LEU A 23 6.663 -2.217 6.113 1.00 0.00 C ATOM 343 C LEU A 23 7.441 -2.907 7.265 1.00 0.00 C ATOM 344 O LEU A 23 8.270 -2.154 7.759 1.00 0.00 O ATOM 345 CB LEU A 23 6.990 -2.620 4.720 1.00 0.00 C ATOM 346 CG LEU A 23 5.826 -2.472 3.711 1.00 0.00 C ATOM 347 CD1 LEU A 23 6.444 -2.456 2.290 1.00 0.00 C ATOM 348 CD2 LEU A 23 4.834 -3.589 3.608 1.00 0.00 C ATOM 0 H LEU A 23 7.738 -0.397 5.912 1.00 0.00 H new ATOM 0 HA LEU A 23 5.613 -2.508 6.127 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.832 -2.022 4.372 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.318 -3.660 4.725 1.00 0.00 H new ATOM 0 HG LEU A 23 5.304 -1.584 4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.651 -2.353 1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.134 -1.617 2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.983 -3.388 2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.081 -3.339 2.861 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.347 -4.505 3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.352 -3.737 4.574 1.00 0.00 H new ATOM 360 N THR A 24 7.146 -4.147 7.561 1.00 0.00 N ATOM 361 CA THR A 24 7.814 -4.882 8.625 1.00 0.00 C ATOM 362 C THR A 24 7.193 -6.292 8.602 1.00 0.00 C ATOM 363 O THR A 24 6.539 -6.786 9.507 1.00 0.00 O ATOM 364 CB THR A 24 7.583 -4.254 9.999 1.00 0.00 C ATOM 365 OG1 THR A 24 7.977 -2.906 10.143 1.00 0.00 O ATOM 366 CG2 THR A 24 8.120 -5.027 11.201 1.00 0.00 C ATOM 0 H THR A 24 6.432 -4.686 7.072 1.00 0.00 H new ATOM 0 HA THR A 24 8.892 -4.883 8.462 1.00 0.00 H new ATOM 0 HB THR A 24 6.494 -4.306 10.013 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.435 -2.610 9.329 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.894 -4.480 12.116 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.651 -6.010 11.241 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.199 -5.144 11.106 1.00 0.00 H new ATOM 374 N ILE A 25 7.465 -6.912 7.466 1.00 0.00 N ATOM 375 CA ILE A 25 6.915 -8.245 7.396 1.00 0.00 C ATOM 376 C ILE A 25 7.851 -9.214 8.119 1.00 0.00 C ATOM 377 O ILE A 25 9.043 -8.954 8.053 1.00 0.00 O ATOM 378 CB ILE A 25 6.825 -8.620 5.917 1.00 0.00 C ATOM 379 CG1 ILE A 25 6.202 -7.595 4.988 1.00 0.00 C ATOM 380 CG2 ILE A 25 5.987 -9.919 5.755 1.00 0.00 C ATOM 381 CD1 ILE A 25 7.255 -6.757 4.247 1.00 0.00 C ATOM 0 H ILE A 25 7.998 -6.565 6.669 1.00 0.00 H new ATOM 0 HA ILE A 25 5.932 -8.292 7.865 1.00 0.00 H new ATOM 0 HB ILE A 25 7.870 -8.720 5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.570 -8.105 4.261 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.555 -6.933 5.564 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.925 -10.183 4.699 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.464 -10.731 6.305 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.983 -9.756 6.147 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.756 -6.039 3.596 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.871 -6.223 4.971 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.886 -7.413 3.648 1.00 0.00 H new ATOM 393 N THR A 26 7.306 -10.241 8.753 1.00 0.00 N ATOM 394 CA THR A 26 8.274 -11.097 9.407 1.00 0.00 C ATOM 395 C THR A 26 7.416 -12.303 9.890 1.00 0.00 C ATOM 396 O THR A 26 7.090 -12.338 11.058 1.00 0.00 O ATOM 397 CB THR A 26 8.917 -10.509 10.640 1.00 0.00 C ATOM 398 OG1 THR A 26 9.646 -9.334 10.505 1.00 0.00 O ATOM 399 CG2 THR A 26 9.872 -11.588 11.235 1.00 0.00 C ATOM 0 H THR A 26 6.318 -10.484 8.827 1.00 0.00 H new ATOM 0 HA THR A 26 9.088 -11.308 8.714 1.00 0.00 H new ATOM 0 HB THR A 26 8.073 -10.229 11.271 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.686 -9.081 9.559 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.354 -11.194 12.130 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.299 -12.478 11.494 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.632 -11.847 10.498 1.00 0.00 H new ATOM 407 N GLN A 27 7.217 -13.095 8.832 1.00 0.00 N ATOM 408 CA GLN A 27 6.446 -14.299 9.018 1.00 0.00 C ATOM 409 C GLN A 27 6.528 -14.957 10.379 1.00 0.00 C ATOM 410 O GLN A 27 7.593 -15.009 10.947 1.00 0.00 O ATOM 411 CB GLN A 27 6.814 -15.260 7.849 1.00 0.00 C ATOM 412 CG GLN A 27 8.282 -15.560 7.805 1.00 0.00 C ATOM 413 CD GLN A 27 9.063 -14.927 6.646 1.00 0.00 C ATOM 414 OE1 GLN A 27 10.092 -14.227 7.093 1.00 0.00 O flip ATOM 415 NE2 GLN A 27 8.703 -15.097 5.501 1.00 0.00 N flip ATOM 0 H GLN A 27 7.565 -12.927 7.888 1.00 0.00 H new ATOM 0 HA GLN A 27 5.392 -14.022 8.993 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.257 -16.191 7.957 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.507 -14.813 6.903 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.729 -15.228 8.742 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.410 -16.641 7.756 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.881 -15.668 5.304 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.222 -14.669 4.734 1.00 0.00 H new ATOM 424 N GLU A 28 5.334 -15.411 10.788 1.00 0.00 N ATOM 425 CA GLU A 28 5.200 -16.083 12.089 1.00 0.00 C ATOM 426 C GLU A 28 5.076 -17.582 11.730 1.00 0.00 C ATOM 427 O GLU A 28 6.143 -18.164 11.482 1.00 0.00 O ATOM 428 CB GLU A 28 3.933 -15.524 12.695 1.00 0.00 C ATOM 429 CG GLU A 28 3.709 -15.834 14.179 1.00 0.00 C ATOM 430 CD GLU A 28 4.846 -15.230 14.993 1.00 0.00 C ATOM 431 OE1 GLU A 28 5.525 -14.428 14.364 1.00 0.00 O ATOM 432 OE2 GLU A 28 4.956 -15.604 16.160 1.00 0.00 O ATOM 0 H GLU A 28 4.469 -15.329 10.254 1.00 0.00 H new ATOM 0 HA GLU A 28 6.017 -15.942 12.796 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.938 -14.442 12.566 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.083 -15.908 12.131 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.753 -15.426 14.508 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.666 -16.912 14.335 1.00 0.00 H new ATOM 439 N GLY A 29 3.867 -18.142 11.708 1.00 0.00 N ATOM 440 CA GLY A 29 3.827 -19.564 11.359 1.00 0.00 C ATOM 441 C GLY A 29 2.780 -19.521 10.198 1.00 0.00 C ATOM 442 O GLY A 29 1.632 -19.810 10.406 1.00 0.00 O ATOM 0 H GLY A 29 2.977 -17.686 11.907 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.796 -19.942 11.034 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.503 -20.190 12.191 1.00 0.00 H new ATOM 446 N ASN A 30 3.416 -19.135 9.087 1.00 0.00 N ATOM 447 CA ASN A 30 2.723 -18.999 7.840 1.00 0.00 C ATOM 448 C ASN A 30 1.776 -17.796 7.991 1.00 0.00 C ATOM 449 O ASN A 30 0.746 -17.850 7.297 1.00 0.00 O ATOM 450 CB ASN A 30 1.770 -20.154 7.487 1.00 0.00 C ATOM 451 CG ASN A 30 2.395 -21.533 7.509 1.00 0.00 C ATOM 452 OD1 ASN A 30 2.708 -22.070 8.588 1.00 0.00 O ATOM 453 ND2 ASN A 30 2.585 -22.119 6.320 1.00 0.00 N ATOM 0 H ASN A 30 4.411 -18.915 9.045 1.00 0.00 H new ATOM 0 HA ASN A 30 3.499 -18.933 7.077 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.933 -20.140 8.185 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.359 -19.974 6.494 1.00 0.00 H new ATOM 0 HD21 ASN A 30 3.004 -23.048 6.270 1.00 0.00 H new ATOM 0 HD22 ASN A 30 2.311 -21.637 5.464 1.00 0.00 H new ATOM 460 N LYS A 31 2.155 -16.863 8.834 1.00 0.00 N ATOM 461 CA LYS A 31 1.267 -15.720 8.989 1.00 0.00 C ATOM 462 C LYS A 31 2.247 -14.561 8.863 1.00 0.00 C ATOM 463 O LYS A 31 3.034 -14.432 9.810 1.00 0.00 O ATOM 464 CB LYS A 31 0.534 -15.751 10.296 1.00 0.00 C ATOM 465 CG LYS A 31 0.127 -14.299 10.658 1.00 0.00 C ATOM 466 CD LYS A 31 -1.086 -14.280 11.542 1.00 0.00 C ATOM 467 CE LYS A 31 -0.663 -14.346 12.992 1.00 0.00 C ATOM 468 NZ LYS A 31 -0.149 -13.085 13.580 1.00 0.00 N ATOM 0 H LYS A 31 3.010 -16.859 9.391 1.00 0.00 H new ATOM 0 HA LYS A 31 0.455 -15.672 8.264 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.349 -16.386 10.222 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.166 -16.174 11.076 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.955 -13.801 11.162 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.075 -13.737 9.746 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.664 -13.373 11.363 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.734 -15.123 11.304 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.516 -14.677 13.584 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.109 -15.110 13.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.110 -13.246 14.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.689 -12.771 13.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.885 -12.352 13.529 1.00 0.00 H new ATOM 482 N PHE A 32 2.132 -13.842 7.751 1.00 0.00 N ATOM 483 CA PHE A 32 3.088 -12.743 7.641 1.00 0.00 C ATOM 484 C PHE A 32 2.076 -11.630 8.061 1.00 0.00 C ATOM 485 O PHE A 32 0.916 -11.925 8.067 1.00 0.00 O ATOM 486 CB PHE A 32 3.660 -12.444 6.302 1.00 0.00 C ATOM 487 CG PHE A 32 4.437 -13.600 5.745 1.00 0.00 C ATOM 488 CD1 PHE A 32 4.194 -14.921 6.005 1.00 0.00 C ATOM 489 CD2 PHE A 32 5.505 -13.417 4.886 1.00 0.00 C ATOM 490 CE1 PHE A 32 4.966 -15.929 5.438 1.00 0.00 C ATOM 491 CE2 PHE A 32 6.230 -14.469 4.360 1.00 0.00 C ATOM 492 CZ PHE A 32 5.895 -15.767 4.693 1.00 0.00 C ATOM 0 H PHE A 32 1.466 -13.973 6.989 1.00 0.00 H new ATOM 0 HA PHE A 32 4.010 -12.905 8.200 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.855 -12.185 5.615 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.310 -11.572 6.373 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.383 -15.187 6.667 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.784 -12.410 4.615 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.708 -16.947 5.689 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.056 -14.277 3.691 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.448 -16.606 4.298 1.00 0.00 H new ATOM 502 N THR A 33 2.817 -10.562 8.319 1.00 0.00 N ATOM 503 CA THR A 33 1.991 -9.406 8.727 1.00 0.00 C ATOM 504 C THR A 33 2.630 -8.375 7.806 1.00 0.00 C ATOM 505 O THR A 33 3.692 -7.833 8.144 1.00 0.00 O ATOM 506 CB THR A 33 2.026 -9.214 10.193 1.00 0.00 C ATOM 507 OG1 THR A 33 0.878 -9.744 10.864 1.00 0.00 O ATOM 508 CG2 THR A 33 1.998 -7.743 10.578 1.00 0.00 C ATOM 0 H THR A 33 3.830 -10.456 8.270 1.00 0.00 H new ATOM 0 HA THR A 33 0.908 -9.433 8.608 1.00 0.00 H new ATOM 0 HB THR A 33 2.945 -9.722 10.486 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.961 -9.588 11.828 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.025 -7.650 11.664 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.864 -7.238 10.149 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.085 -7.285 10.198 1.00 0.00 H new ATOM 516 N VAL A 34 1.927 -8.197 6.721 1.00 0.00 N ATOM 517 CA VAL A 34 2.588 -7.176 5.857 1.00 0.00 C ATOM 518 C VAL A 34 2.282 -5.944 6.672 1.00 0.00 C ATOM 519 O VAL A 34 1.163 -5.647 7.043 1.00 0.00 O ATOM 520 CB VAL A 34 1.885 -7.449 4.554 1.00 0.00 C ATOM 521 CG1 VAL A 34 1.447 -6.260 3.731 1.00 0.00 C ATOM 522 CG2 VAL A 34 2.764 -8.268 3.585 1.00 0.00 C ATOM 0 H VAL A 34 1.056 -8.635 6.422 1.00 0.00 H new ATOM 0 HA VAL A 34 3.650 -7.129 5.615 1.00 0.00 H new ATOM 0 HB VAL A 34 0.999 -7.969 4.918 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.956 -6.608 2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.751 -5.653 4.310 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.318 -5.660 3.466 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.218 -8.442 2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.679 -7.716 3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.016 -9.224 4.043 1.00 0.00 H new ATOM 532 N LYS A 35 3.434 -5.249 6.919 1.00 0.00 N ATOM 533 CA LYS A 35 3.314 -4.047 7.700 1.00 0.00 C ATOM 534 C LYS A 35 2.763 -2.793 7.060 1.00 0.00 C ATOM 535 O LYS A 35 2.760 -1.702 7.589 1.00 0.00 O ATOM 536 CB LYS A 35 4.525 -3.812 8.656 1.00 0.00 C ATOM 537 CG LYS A 35 4.035 -3.148 9.957 1.00 0.00 C ATOM 538 CD LYS A 35 5.061 -2.590 10.929 1.00 0.00 C ATOM 539 CE LYS A 35 4.396 -1.774 12.053 1.00 0.00 C ATOM 540 NZ LYS A 35 5.407 -0.905 12.654 1.00 0.00 N ATOM 0 H LYS A 35 4.371 -5.499 6.604 1.00 0.00 H new ATOM 0 HA LYS A 35 2.451 -4.299 8.317 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.013 -4.760 8.881 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.267 -3.179 8.170 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.367 -2.333 9.679 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.436 -3.882 10.496 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.633 -3.409 11.364 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.767 -1.959 10.390 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.574 -1.180 11.654 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.973 -2.440 12.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.947 -0.064 13.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.905 -1.421 13.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.089 -0.611 11.926 1.00 0.00 H new ATOM 554 N GLU A 36 2.276 -3.052 5.824 1.00 0.00 N ATOM 555 CA GLU A 36 1.677 -2.047 4.977 1.00 0.00 C ATOM 556 C GLU A 36 0.682 -1.318 5.926 1.00 0.00 C ATOM 557 O GLU A 36 -0.363 -1.882 6.263 1.00 0.00 O ATOM 558 CB GLU A 36 0.739 -2.842 4.051 1.00 0.00 C ATOM 559 CG GLU A 36 1.250 -2.830 2.592 1.00 0.00 C ATOM 560 CD GLU A 36 0.087 -3.288 1.690 1.00 0.00 C ATOM 561 OE1 GLU A 36 -0.694 -2.427 1.280 1.00 0.00 O ATOM 562 OE2 GLU A 36 0.002 -4.483 1.427 1.00 0.00 O ATOM 0 H GLU A 36 2.298 -3.980 5.402 1.00 0.00 H new ATOM 0 HA GLU A 36 2.395 -1.406 4.465 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.662 -3.871 4.403 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.263 -2.415 4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.583 -1.831 2.311 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.107 -3.495 2.480 1.00 0.00 H new ATOM 569 N SER A 37 1.116 -0.106 6.274 1.00 0.00 N ATOM 570 CA SER A 37 0.244 0.662 7.169 1.00 0.00 C ATOM 571 C SER A 37 0.249 2.094 6.656 1.00 0.00 C ATOM 572 O SER A 37 1.304 2.511 6.155 1.00 0.00 O ATOM 573 CB SER A 37 0.756 0.449 8.592 1.00 0.00 C ATOM 574 OG SER A 37 1.918 1.222 8.805 1.00 0.00 O ATOM 0 H SER A 37 1.987 0.338 5.983 1.00 0.00 H new ATOM 0 HA SER A 37 -0.800 0.350 7.187 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.014 0.729 9.311 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.976 -0.606 8.755 1.00 0.00 H new ATOM 0 HG SER A 37 2.241 1.082 9.720 1.00 0.00 H new ATOM 580 N SER A 38 -0.889 2.812 6.779 1.00 0.00 N ATOM 581 CA SER A 38 -0.846 4.182 6.272 1.00 0.00 C ATOM 582 C SER A 38 -1.583 5.147 7.164 1.00 0.00 C ATOM 583 O SER A 38 -2.055 4.758 8.225 1.00 0.00 O ATOM 584 CB SER A 38 -1.541 4.110 4.893 1.00 0.00 C ATOM 585 OG SER A 38 -2.898 3.716 4.943 1.00 0.00 O ATOM 0 H SER A 38 -1.769 2.496 7.187 1.00 0.00 H new ATOM 0 HA SER A 38 0.180 4.546 6.222 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.477 5.088 4.416 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.995 3.410 4.261 1.00 0.00 H new ATOM 0 HG SER A 38 -3.073 3.056 4.240 1.00 0.00 H new ATOM 591 N ASN A 39 -1.635 6.384 6.656 1.00 0.00 N ATOM 592 CA ASN A 39 -2.322 7.411 7.416 1.00 0.00 C ATOM 593 C ASN A 39 -3.824 7.103 7.238 1.00 0.00 C ATOM 594 O ASN A 39 -4.690 7.580 7.950 1.00 0.00 O ATOM 595 CB ASN A 39 -2.019 8.771 6.824 1.00 0.00 C ATOM 596 CG ASN A 39 -1.318 9.591 7.892 1.00 0.00 C ATOM 597 OD1 ASN A 39 -1.972 10.168 8.758 1.00 0.00 O ATOM 598 ND2 ASN A 39 0.026 9.605 7.763 1.00 0.00 N ATOM 0 H ASN A 39 -1.230 6.680 5.768 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.018 7.420 8.463 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.387 8.672 5.941 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.938 9.263 6.505 1.00 0.00 H new ATOM 0 HD21 ASN A 39 0.596 10.132 8.425 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.471 9.089 7.004 1.00 0.00 H new ATOM 605 N PHE A 40 -3.959 6.261 6.203 1.00 0.00 N ATOM 606 CA PHE A 40 -5.322 5.897 5.942 1.00 0.00 C ATOM 607 C PHE A 40 -5.615 4.532 6.613 1.00 0.00 C ATOM 608 O PHE A 40 -5.656 4.579 7.832 1.00 0.00 O ATOM 609 CB PHE A 40 -5.698 5.879 4.443 1.00 0.00 C ATOM 610 CG PHE A 40 -6.126 7.177 3.882 1.00 0.00 C ATOM 611 CD1 PHE A 40 -5.267 8.234 3.844 1.00 0.00 C ATOM 612 CD2 PHE A 40 -7.379 7.420 3.366 1.00 0.00 C ATOM 613 CE1 PHE A 40 -5.666 9.444 3.319 1.00 0.00 C ATOM 614 CE2 PHE A 40 -7.713 8.659 2.855 1.00 0.00 C ATOM 615 CZ PHE A 40 -6.933 9.583 2.834 1.00 0.00 C ATOM 0 H PHE A 40 -3.229 5.869 5.608 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.952 6.675 6.374 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.839 5.522 3.875 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.500 5.156 4.296 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.264 8.122 4.229 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.113 6.628 3.361 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.979 10.277 3.292 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -8.707 8.808 2.460 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.245 10.533 2.425 1.00 0.00 H new ATOM 625 N ARG A 41 -5.787 3.492 5.809 1.00 0.00 N ATOM 626 CA ARG A 41 -6.083 2.203 6.401 1.00 0.00 C ATOM 627 C ARG A 41 -5.357 1.008 5.869 1.00 0.00 C ATOM 628 O ARG A 41 -5.957 -0.060 5.637 1.00 0.00 O ATOM 629 CB ARG A 41 -7.615 2.001 6.304 1.00 0.00 C ATOM 630 CG ARG A 41 -8.308 1.813 7.651 1.00 0.00 C ATOM 631 CD ARG A 41 -8.024 2.959 8.673 1.00 0.00 C ATOM 632 NE ARG A 41 -9.283 3.170 9.398 1.00 0.00 N ATOM 633 CZ ARG A 41 -9.328 3.294 10.730 1.00 0.00 C ATOM 634 NH1 ARG A 41 -8.275 3.246 11.533 1.00 0.00 N ATOM 635 NH2 ARG A 41 -10.521 3.481 11.274 1.00 0.00 N ATOM 0 H ARG A 41 -5.730 3.513 4.791 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.712 2.252 7.425 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.053 2.863 5.800 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.817 1.131 5.680 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -9.384 1.742 7.489 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.988 0.865 8.084 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.221 2.683 9.356 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.710 3.869 8.162 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.153 3.224 8.869 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.343 3.105 11.144 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.397 3.350 12.540 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.350 3.524 10.682 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.610 3.582 12.285 1.00 0.00 H new ATOM 649 N ASN A 42 -4.029 1.073 5.649 1.00 0.00 N ATOM 650 CA ASN A 42 -3.413 -0.172 5.170 1.00 0.00 C ATOM 651 C ASN A 42 -3.443 -1.042 6.455 1.00 0.00 C ATOM 652 O ASN A 42 -3.649 -2.232 6.358 1.00 0.00 O ATOM 653 CB ASN A 42 -2.024 0.093 4.639 1.00 0.00 C ATOM 654 CG ASN A 42 -2.065 0.603 3.179 1.00 0.00 C ATOM 655 OD1 ASN A 42 -2.881 1.400 2.766 1.00 0.00 O ATOM 656 ND2 ASN A 42 -1.076 0.039 2.459 1.00 0.00 N ATOM 0 H ASN A 42 -3.420 1.881 5.778 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.915 -0.655 4.332 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.526 0.830 5.269 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.433 -0.821 4.690 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.965 0.274 1.473 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.438 -0.623 2.900 1.00 0.00 H new ATOM 663 N ILE A 43 -3.229 -0.231 7.471 1.00 0.00 N ATOM 664 CA ILE A 43 -3.222 -0.690 8.857 1.00 0.00 C ATOM 665 C ILE A 43 -3.195 -2.170 8.953 1.00 0.00 C ATOM 666 O ILE A 43 -4.019 -2.876 9.490 1.00 0.00 O ATOM 667 CB ILE A 43 -4.540 -0.079 9.390 1.00 0.00 C ATOM 668 CG1 ILE A 43 -4.685 -0.212 10.879 1.00 0.00 C ATOM 669 CG2 ILE A 43 -5.724 -0.834 8.768 1.00 0.00 C ATOM 670 CD1 ILE A 43 -6.089 0.214 11.390 1.00 0.00 C ATOM 0 H ILE A 43 -3.054 0.768 7.365 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.342 -0.387 9.424 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.523 0.979 9.128 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.498 -1.247 11.166 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.925 0.397 11.369 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.659 -0.412 9.137 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.686 -0.739 7.683 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.668 -1.887 9.043 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.133 0.096 12.473 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.269 1.257 11.131 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.851 -0.412 10.925 1.00 0.00 H new ATOM 682 N ASP A 44 -2.094 -2.690 8.374 1.00 0.00 N ATOM 683 CA ASP A 44 -1.802 -4.088 8.318 1.00 0.00 C ATOM 684 C ASP A 44 -2.799 -4.824 7.466 1.00 0.00 C ATOM 685 O ASP A 44 -4.000 -4.643 7.479 1.00 0.00 O ATOM 686 CB ASP A 44 -1.908 -4.717 9.735 1.00 0.00 C ATOM 687 CG ASP A 44 -1.451 -3.777 10.825 1.00 0.00 C ATOM 688 OD1 ASP A 44 -0.520 -2.983 10.703 1.00 0.00 O ATOM 689 OD2 ASP A 44 -2.058 -3.820 11.906 1.00 0.00 O ATOM 0 H ASP A 44 -1.381 -2.112 7.928 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.797 -4.178 7.905 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.941 -5.009 9.922 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.308 -5.627 9.770 1.00 0.00 H new ATOM 694 N VAL A 45 -2.156 -5.703 6.703 1.00 0.00 N ATOM 695 CA VAL A 45 -3.014 -6.499 5.816 1.00 0.00 C ATOM 696 C VAL A 45 -2.430 -7.908 6.050 1.00 0.00 C ATOM 697 O VAL A 45 -2.144 -8.571 5.088 1.00 0.00 O ATOM 698 CB VAL A 45 -3.065 -6.042 4.388 1.00 0.00 C ATOM 699 CG1 VAL A 45 -4.493 -6.223 3.799 1.00 0.00 C ATOM 700 CG2 VAL A 45 -2.919 -4.518 4.244 1.00 0.00 C ATOM 0 H VAL A 45 -1.152 -5.878 6.671 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.078 -6.423 6.041 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.272 -6.615 3.906 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.505 -5.885 2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.773 -7.276 3.840 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.204 -5.636 4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.963 -4.246 3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.728 -4.023 4.781 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.962 -4.203 4.660 1.00 0.00 H new ATOM 710 N VAL A 46 -2.318 -8.211 7.340 1.00 0.00 N ATOM 711 CA VAL A 46 -1.770 -9.527 7.640 1.00 0.00 C ATOM 712 C VAL A 46 -2.613 -10.643 7.102 1.00 0.00 C ATOM 713 O VAL A 46 -3.741 -10.358 6.706 1.00 0.00 O ATOM 714 CB VAL A 46 -1.820 -9.558 9.182 1.00 0.00 C ATOM 715 CG1 VAL A 46 -3.155 -9.195 9.843 1.00 0.00 C ATOM 716 CG2 VAL A 46 -1.566 -10.945 9.827 1.00 0.00 C ATOM 0 H VAL A 46 -2.574 -7.622 8.132 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.783 -9.668 7.199 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.038 -8.819 9.358 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.053 -9.256 10.926 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.436 -8.180 9.562 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.926 -9.890 9.511 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.623 -10.858 10.912 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.320 -11.651 9.480 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.576 -11.302 9.543 1.00 0.00 H new ATOM 726 N PHE A 47 -2.004 -11.839 7.124 1.00 0.00 N ATOM 727 CA PHE A 47 -2.786 -12.934 6.603 1.00 0.00 C ATOM 728 C PHE A 47 -2.165 -14.269 6.967 1.00 0.00 C ATOM 729 O PHE A 47 -1.421 -14.244 7.959 1.00 0.00 O ATOM 730 CB PHE A 47 -2.846 -12.821 5.064 1.00 0.00 C ATOM 731 CG PHE A 47 -1.522 -12.290 4.545 1.00 0.00 C ATOM 732 CD1 PHE A 47 -0.335 -12.955 4.634 1.00 0.00 C ATOM 733 CD2 PHE A 47 -1.545 -11.047 3.945 1.00 0.00 C ATOM 734 CE1 PHE A 47 0.798 -12.356 4.124 1.00 0.00 C ATOM 735 CE2 PHE A 47 -0.364 -10.507 3.445 1.00 0.00 C ATOM 736 CZ PHE A 47 0.768 -11.266 3.596 1.00 0.00 C ATOM 0 H PHE A 47 -1.066 -12.049 7.464 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.785 -12.881 7.036 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.057 -13.796 4.625 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.658 -12.156 4.769 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.283 -13.931 5.094 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.472 -10.498 3.864 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.742 -12.875 4.198 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.340 -9.541 2.963 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.697 -10.865 3.218 1.00 0.00 H new ATOM 746 N GLU A 48 -2.460 -15.355 6.206 1.00 0.00 N ATOM 747 CA GLU A 48 -1.838 -16.599 6.607 1.00 0.00 C ATOM 748 C GLU A 48 -1.305 -17.462 5.442 1.00 0.00 C ATOM 749 O GLU A 48 -1.630 -18.638 5.340 1.00 0.00 O ATOM 750 CB GLU A 48 -2.960 -17.324 7.358 1.00 0.00 C ATOM 751 CG GLU A 48 -2.704 -17.318 8.861 1.00 0.00 C ATOM 752 CD GLU A 48 -3.155 -18.569 9.589 1.00 0.00 C ATOM 753 OE1 GLU A 48 -3.993 -19.289 9.025 1.00 0.00 O ATOM 754 OE2 GLU A 48 -2.760 -18.934 10.689 1.00 0.00 O ATOM 0 H GLU A 48 -3.069 -15.382 5.389 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.943 -16.410 7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.915 -16.842 7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.036 -18.352 7.002 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.637 -17.180 9.033 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.211 -16.458 9.298 1.00 0.00 H new ATOM 761 N LEU A 49 -0.501 -16.788 4.636 1.00 0.00 N ATOM 762 CA LEU A 49 0.180 -17.266 3.475 1.00 0.00 C ATOM 763 C LEU A 49 -0.322 -18.545 2.851 1.00 0.00 C ATOM 764 O LEU A 49 -0.310 -19.683 3.282 1.00 0.00 O ATOM 765 CB LEU A 49 1.656 -17.478 3.914 1.00 0.00 C ATOM 766 CG LEU A 49 2.572 -17.782 2.762 1.00 0.00 C ATOM 767 CD1 LEU A 49 2.237 -17.127 1.402 1.00 0.00 C ATOM 768 CD2 LEU A 49 4.042 -17.287 2.925 1.00 0.00 C ATOM 0 H LEU A 49 -0.300 -15.803 4.806 1.00 0.00 H new ATOM 0 HA LEU A 49 0.020 -16.522 2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.009 -16.583 4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.702 -18.296 4.633 1.00 0.00 H new ATOM 0 HG LEU A 49 2.439 -18.864 2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.976 -17.430 0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.246 -17.447 1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.252 -16.042 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.617 -17.557 2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.050 -16.204 3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.488 -17.754 3.803 1.00 0.00 H new ATOM 780 N GLY A 50 -0.843 -18.359 1.628 1.00 0.00 N ATOM 781 CA GLY A 50 -1.373 -19.469 0.855 1.00 0.00 C ATOM 782 C GLY A 50 -2.714 -19.784 1.555 1.00 0.00 C ATOM 783 O GLY A 50 -2.885 -20.938 1.862 1.00 0.00 O ATOM 0 H GLY A 50 -0.904 -17.453 1.164 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.519 -19.197 -0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.701 -20.327 0.870 1.00 0.00 H new ATOM 787 N VAL A 51 -3.429 -18.672 1.678 1.00 0.00 N ATOM 788 CA VAL A 51 -4.737 -18.598 2.287 1.00 0.00 C ATOM 789 C VAL A 51 -5.581 -17.406 1.864 1.00 0.00 C ATOM 790 O VAL A 51 -5.146 -16.283 2.055 1.00 0.00 O ATOM 791 CB VAL A 51 -4.703 -18.689 3.829 1.00 0.00 C ATOM 792 CG1 VAL A 51 -5.277 -17.528 4.619 1.00 0.00 C ATOM 793 CG2 VAL A 51 -5.582 -19.854 4.327 1.00 0.00 C ATOM 0 H VAL A 51 -3.095 -17.769 1.342 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.229 -19.488 1.893 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.629 -18.765 4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.184 -17.732 5.686 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.731 -16.617 4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.329 -17.399 4.364 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.543 -19.900 5.415 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.612 -19.695 4.007 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.213 -20.792 3.911 1.00 0.00 H new ATOM 803 N ASP A 52 -6.740 -17.838 1.322 1.00 0.00 N ATOM 804 CA ASP A 52 -7.632 -16.749 0.880 1.00 0.00 C ATOM 805 C ASP A 52 -8.555 -16.328 2.022 1.00 0.00 C ATOM 806 O ASP A 52 -8.719 -17.077 2.958 1.00 0.00 O ATOM 807 CB ASP A 52 -8.415 -17.172 -0.342 1.00 0.00 C ATOM 808 CG ASP A 52 -9.852 -17.569 0.083 1.00 0.00 C ATOM 809 OD1 ASP A 52 -10.024 -18.624 0.705 1.00 0.00 O ATOM 810 OD2 ASP A 52 -10.796 -16.844 -0.207 1.00 0.00 O ATOM 0 H ASP A 52 -7.052 -18.800 1.191 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.029 -15.885 0.602 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.449 -16.358 -1.066 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.923 -18.013 -0.831 1.00 0.00 H new ATOM 815 N PHE A 53 -9.100 -15.098 1.814 1.00 0.00 N ATOM 816 CA PHE A 53 -9.977 -14.613 2.822 1.00 0.00 C ATOM 817 C PHE A 53 -10.615 -13.267 2.508 1.00 0.00 C ATOM 818 O PHE A 53 -10.205 -12.612 1.553 1.00 0.00 O ATOM 819 CB PHE A 53 -9.228 -14.367 4.161 1.00 0.00 C ATOM 820 CG PHE A 53 -7.919 -13.678 3.869 1.00 0.00 C ATOM 821 CD1 PHE A 53 -6.754 -14.320 3.532 1.00 0.00 C ATOM 822 CD2 PHE A 53 -7.850 -12.291 3.935 1.00 0.00 C ATOM 823 CE1 PHE A 53 -5.617 -13.605 3.279 1.00 0.00 C ATOM 824 CE2 PHE A 53 -6.634 -11.654 3.662 1.00 0.00 C ATOM 825 CZ PHE A 53 -5.604 -12.213 3.362 1.00 0.00 C ATOM 0 H PHE A 53 -8.942 -14.491 1.009 1.00 0.00 H new ATOM 0 HA PHE A 53 -10.735 -15.394 2.882 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.836 -13.754 4.826 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.050 -15.313 4.673 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.735 -15.398 3.466 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.724 -11.712 4.194 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.711 -14.128 3.010 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.614 -10.576 3.724 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.703 -11.652 3.165 1.00 0.00 H new ATOM 835 N ALA A 54 -11.600 -12.862 3.300 1.00 0.00 N ATOM 836 CA ALA A 54 -12.292 -11.586 3.108 1.00 0.00 C ATOM 837 C ALA A 54 -11.931 -10.845 4.423 1.00 0.00 C ATOM 838 O ALA A 54 -11.995 -11.506 5.453 1.00 0.00 O ATOM 839 CB ALA A 54 -13.790 -11.708 2.922 1.00 0.00 C ATOM 0 H ALA A 54 -11.944 -13.404 4.092 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.988 -11.078 2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.222 -10.716 2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.999 -12.318 2.043 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -14.229 -12.178 3.802 1.00 0.00 H new ATOM 845 N TYR A 55 -11.591 -9.579 4.270 1.00 0.00 N ATOM 846 CA TYR A 55 -11.253 -8.887 5.516 1.00 0.00 C ATOM 847 C TYR A 55 -11.755 -7.455 5.566 1.00 0.00 C ATOM 848 O TYR A 55 -11.185 -6.545 4.984 1.00 0.00 O ATOM 849 CB TYR A 55 -9.750 -9.034 5.770 1.00 0.00 C ATOM 850 CG TYR A 55 -9.296 -8.878 7.200 1.00 0.00 C ATOM 851 CD1 TYR A 55 -10.005 -9.401 8.252 1.00 0.00 C ATOM 852 CD2 TYR A 55 -8.143 -8.201 7.570 1.00 0.00 C ATOM 853 CE1 TYR A 55 -9.567 -9.243 9.563 1.00 0.00 C ATOM 854 CE2 TYR A 55 -7.797 -8.099 8.904 1.00 0.00 C ATOM 855 CZ TYR A 55 -8.571 -8.657 9.882 1.00 0.00 C ATOM 856 OH TYR A 55 -8.216 -8.545 11.208 1.00 0.00 O ATOM 0 H TYR A 55 -11.540 -9.048 3.401 1.00 0.00 H new ATOM 0 HA TYR A 55 -11.785 -9.361 6.341 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.438 -10.017 5.417 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.226 -8.296 5.162 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -10.918 -9.944 8.059 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.515 -7.753 6.814 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -10.166 -9.679 10.349 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -6.898 -7.568 9.179 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.380 -8.039 11.281 1.00 0.00 H new ATOM 866 N SER A 56 -12.873 -7.314 6.307 1.00 0.00 N ATOM 867 CA SER A 56 -13.361 -5.939 6.360 1.00 0.00 C ATOM 868 C SER A 56 -12.286 -5.224 7.225 1.00 0.00 C ATOM 869 O SER A 56 -11.640 -5.958 7.989 1.00 0.00 O ATOM 870 CB SER A 56 -14.708 -6.059 7.052 1.00 0.00 C ATOM 871 OG SER A 56 -15.192 -4.787 7.452 1.00 0.00 O ATOM 0 H SER A 56 -13.391 -8.033 6.812 1.00 0.00 H new ATOM 0 HA SER A 56 -13.495 -5.400 5.422 1.00 0.00 H new ATOM 0 HB2 SER A 56 -15.425 -6.529 6.379 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.616 -6.707 7.924 1.00 0.00 H new ATOM 0 HG SER A 56 -16.061 -4.892 7.893 1.00 0.00 H new ATOM 877 N LEU A 57 -12.190 -3.922 7.039 1.00 0.00 N ATOM 878 CA LEU A 57 -11.209 -3.165 7.804 1.00 0.00 C ATOM 879 C LEU A 57 -11.721 -1.758 8.097 1.00 0.00 C ATOM 880 O LEU A 57 -12.413 -1.565 9.114 1.00 0.00 O ATOM 881 CB LEU A 57 -9.891 -3.258 7.043 1.00 0.00 C ATOM 882 CG LEU A 57 -8.717 -2.619 7.793 1.00 0.00 C ATOM 883 CD1 LEU A 57 -8.038 -3.672 8.646 1.00 0.00 C ATOM 884 CD2 LEU A 57 -7.603 -2.193 6.843 1.00 0.00 C ATOM 0 H LEU A 57 -12.757 -3.378 6.389 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.036 -3.573 8.800 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.663 -4.306 6.850 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.003 -2.772 6.074 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.134 -1.779 8.348 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.202 -3.223 9.182 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.753 -4.076 9.363 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.670 -4.475 8.008 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.790 -1.745 7.414 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.231 -3.065 6.304 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.991 -1.465 6.131 1.00 0.00 H new ATOM 896 N ALA A 58 -11.417 -0.770 7.263 1.00 0.00 N ATOM 897 CA ALA A 58 -11.845 0.584 7.456 1.00 0.00 C ATOM 898 C ALA A 58 -13.366 0.811 7.498 1.00 0.00 C ATOM 899 O ALA A 58 -13.674 1.987 7.775 1.00 0.00 O ATOM 900 CB ALA A 58 -11.352 1.398 6.254 1.00 0.00 C ATOM 0 H ALA A 58 -10.855 -0.905 6.422 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.444 0.874 8.427 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.661 2.437 6.367 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.265 1.346 6.201 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.780 0.990 5.338 1.00 0.00 H new ATOM 906 N ASP A 59 -14.156 -0.239 7.242 1.00 0.00 N ATOM 907 CA ASP A 59 -15.606 -0.192 7.243 1.00 0.00 C ATOM 908 C ASP A 59 -16.149 -0.251 5.816 1.00 0.00 C ATOM 909 O ASP A 59 -17.317 -0.509 5.588 1.00 0.00 O ATOM 910 CB ASP A 59 -16.204 1.022 7.939 1.00 0.00 C ATOM 911 CG ASP A 59 -17.666 0.832 8.277 1.00 0.00 C ATOM 912 OD1 ASP A 59 -18.047 -0.216 8.786 1.00 0.00 O ATOM 913 OD2 ASP A 59 -18.423 1.741 8.019 1.00 0.00 O ATOM 0 H ASP A 59 -13.786 -1.164 7.024 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.908 -1.067 7.818 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.646 1.225 8.853 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -16.093 1.896 7.298 1.00 0.00 H new ATOM 918 N GLY A 60 -15.215 0.004 4.854 1.00 0.00 N ATOM 919 CA GLY A 60 -15.587 -0.021 3.468 1.00 0.00 C ATOM 920 C GLY A 60 -14.702 -1.147 2.855 1.00 0.00 C ATOM 921 O GLY A 60 -15.247 -2.066 2.259 1.00 0.00 O ATOM 0 H GLY A 60 -14.235 0.220 5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.648 -0.237 3.344 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -15.399 0.939 2.988 1.00 0.00 H new ATOM 925 N THR A 61 -13.393 -0.942 3.076 1.00 0.00 N ATOM 926 CA THR A 61 -12.344 -1.808 2.630 1.00 0.00 C ATOM 927 C THR A 61 -12.765 -3.276 2.785 1.00 0.00 C ATOM 928 O THR A 61 -13.356 -3.655 3.788 1.00 0.00 O ATOM 929 CB THR A 61 -11.002 -1.588 3.384 1.00 0.00 C ATOM 930 OG1 THR A 61 -11.253 -1.495 4.758 1.00 0.00 O ATOM 931 CG2 THR A 61 -10.246 -0.344 2.930 1.00 0.00 C ATOM 0 H THR A 61 -13.047 -0.132 3.591 1.00 0.00 H new ATOM 0 HA THR A 61 -12.176 -1.563 1.581 1.00 0.00 H new ATOM 0 HB THR A 61 -10.369 -2.445 3.154 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.773 -2.273 5.049 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.320 -0.253 3.498 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.014 -0.427 1.868 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.863 0.539 3.099 1.00 0.00 H new ATOM 939 N GLU A 62 -12.462 -4.116 1.785 1.00 0.00 N ATOM 940 CA GLU A 62 -12.882 -5.485 2.001 1.00 0.00 C ATOM 941 C GLU A 62 -11.983 -6.423 1.172 1.00 0.00 C ATOM 942 O GLU A 62 -12.478 -7.398 0.632 1.00 0.00 O ATOM 943 CB GLU A 62 -14.315 -5.623 1.547 1.00 0.00 C ATOM 944 CG GLU A 62 -15.218 -6.519 2.414 1.00 0.00 C ATOM 945 CD GLU A 62 -16.384 -6.967 1.536 1.00 0.00 C ATOM 946 OE1 GLU A 62 -17.322 -6.176 1.434 1.00 0.00 O ATOM 947 OE2 GLU A 62 -16.319 -8.070 1.005 1.00 0.00 O ATOM 0 H GLU A 62 -11.980 -3.898 0.913 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.801 -5.747 3.056 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.758 -4.628 1.504 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.316 -6.016 0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.663 -7.380 2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.580 -5.973 3.285 1.00 0.00 H new ATOM 954 N LEU A 63 -10.703 -5.971 1.180 1.00 0.00 N ATOM 955 CA LEU A 63 -9.688 -6.680 0.474 1.00 0.00 C ATOM 956 C LEU A 63 -9.809 -8.182 0.650 1.00 0.00 C ATOM 957 O LEU A 63 -9.410 -8.835 1.588 1.00 0.00 O ATOM 958 CB LEU A 63 -8.316 -6.265 1.077 1.00 0.00 C ATOM 959 CG LEU A 63 -7.741 -4.940 0.612 1.00 0.00 C ATOM 960 CD1 LEU A 63 -8.638 -3.733 0.901 1.00 0.00 C ATOM 961 CD2 LEU A 63 -6.467 -4.581 1.372 1.00 0.00 C ATOM 0 H LEU A 63 -10.386 -5.133 1.667 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.784 -6.441 -0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.417 -6.230 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.593 -7.048 0.849 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.601 -5.102 -0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.155 -2.826 0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.595 -3.862 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.803 -3.651 1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.085 -3.626 1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.688 -4.505 2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.717 -5.356 1.212 1.00 0.00 H new ATOM 973 N THR A 64 -10.442 -8.751 -0.386 1.00 0.00 N ATOM 974 CA THR A 64 -10.720 -10.148 -0.529 1.00 0.00 C ATOM 975 C THR A 64 -9.561 -10.739 -1.343 1.00 0.00 C ATOM 976 O THR A 64 -9.539 -10.629 -2.560 1.00 0.00 O ATOM 977 CB THR A 64 -12.028 -10.348 -1.309 1.00 0.00 C ATOM 978 OG1 THR A 64 -13.088 -9.674 -0.653 1.00 0.00 O ATOM 979 CG2 THR A 64 -12.423 -11.794 -1.411 1.00 0.00 C ATOM 0 H THR A 64 -10.783 -8.203 -1.176 1.00 0.00 H new ATOM 0 HA THR A 64 -10.822 -10.626 0.445 1.00 0.00 H new ATOM 0 HB THR A 64 -11.851 -9.953 -2.309 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.825 -8.747 -0.473 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.354 -11.878 -1.972 1.00 0.00 H new ATOM 0 HG22 THR A 64 -11.639 -12.350 -1.924 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.563 -12.204 -0.411 1.00 0.00 H new ATOM 987 N GLY A 65 -8.643 -11.349 -0.581 1.00 0.00 N ATOM 988 CA GLY A 65 -7.560 -11.894 -1.381 1.00 0.00 C ATOM 989 C GLY A 65 -6.801 -12.921 -0.538 1.00 0.00 C ATOM 990 O GLY A 65 -7.199 -13.201 0.560 1.00 0.00 O ATOM 0 H GLY A 65 -8.621 -11.466 0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.954 -12.362 -2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.889 -11.098 -1.702 1.00 0.00 H new ATOM 994 N THR A 66 -5.755 -13.342 -1.253 1.00 0.00 N ATOM 995 CA THR A 66 -4.814 -14.317 -0.759 1.00 0.00 C ATOM 996 C THR A 66 -3.406 -13.985 -1.154 1.00 0.00 C ATOM 997 O THR A 66 -3.197 -13.478 -2.268 1.00 0.00 O ATOM 998 CB THR A 66 -5.232 -15.652 -1.437 1.00 0.00 C ATOM 999 OG1 THR A 66 -4.454 -16.663 -0.860 1.00 0.00 O ATOM 1000 CG2 THR A 66 -4.951 -15.526 -2.943 1.00 0.00 C ATOM 0 H THR A 66 -5.547 -13.007 -2.194 1.00 0.00 H new ATOM 0 HA THR A 66 -4.832 -14.357 0.330 1.00 0.00 H new ATOM 0 HB THR A 66 -6.289 -15.881 -1.299 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.689 -17.526 -1.261 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.236 -16.451 -3.445 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.529 -14.698 -3.353 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.889 -15.340 -3.101 1.00 0.00 H new ATOM 1008 N TRP A 67 -2.407 -14.245 -0.297 1.00 0.00 N ATOM 1009 CA TRP A 67 -1.021 -13.926 -0.683 1.00 0.00 C ATOM 1010 C TRP A 67 -0.325 -15.297 -0.507 1.00 0.00 C ATOM 1011 O TRP A 67 -0.215 -15.694 0.624 1.00 0.00 O ATOM 1012 CB TRP A 67 -0.343 -12.880 0.158 1.00 0.00 C ATOM 1013 CG TRP A 67 -0.864 -11.550 -0.424 1.00 0.00 C ATOM 1014 CD1 TRP A 67 -1.461 -10.578 0.361 1.00 0.00 C ATOM 1015 CD2 TRP A 67 -0.833 -11.104 -1.810 1.00 0.00 C ATOM 1016 NE1 TRP A 67 -1.750 -9.655 -0.502 1.00 0.00 N ATOM 1017 CE2 TRP A 67 -1.432 -9.851 -1.820 1.00 0.00 C ATOM 1018 CE3 TRP A 67 -0.383 -11.632 -2.960 1.00 0.00 C ATOM 1019 CZ2 TRP A 67 -1.549 -9.192 -3.003 1.00 0.00 C ATOM 1020 CZ3 TRP A 67 -0.500 -10.954 -4.133 1.00 0.00 C ATOM 1021 CH2 TRP A 67 -1.089 -9.713 -4.171 1.00 0.00 C ATOM 0 H TRP A 67 -2.521 -14.657 0.629 1.00 0.00 H new ATOM 0 HA TRP A 67 -0.978 -13.492 -1.682 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.601 -12.984 1.212 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.742 -12.951 0.087 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -1.641 -10.587 1.426 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.208 -8.794 -0.204 1.00 0.00 H new ATOM 0 HE3 TRP A 67 0.078 -12.609 -2.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -2.023 -8.222 -3.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -0.126 -11.396 -5.045 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -1.183 -9.169 -5.099 1.00 0.00 H new ATOM 1032 N THR A 68 0.018 -15.749 -1.705 1.00 0.00 N ATOM 1033 CA THR A 68 0.690 -16.992 -1.924 1.00 0.00 C ATOM 1034 C THR A 68 2.217 -16.841 -2.153 1.00 0.00 C ATOM 1035 O THR A 68 2.719 -17.526 -3.028 1.00 0.00 O ATOM 1036 CB THR A 68 0.104 -17.766 -3.085 1.00 0.00 C ATOM 1037 OG1 THR A 68 0.424 -17.147 -4.318 1.00 0.00 O ATOM 1038 CG2 THR A 68 -1.403 -17.992 -2.979 1.00 0.00 C ATOM 0 H THR A 68 -0.175 -15.236 -2.565 1.00 0.00 H new ATOM 0 HA THR A 68 0.535 -17.546 -0.998 1.00 0.00 H new ATOM 0 HB THR A 68 0.564 -18.753 -3.043 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.035 -16.283 -4.379 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.749 -18.553 -3.847 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.624 -18.555 -2.072 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.914 -17.030 -2.942 1.00 0.00 H new ATOM 1046 N MET A 69 2.680 -15.952 -1.298 1.00 0.00 N ATOM 1047 CA MET A 69 4.076 -15.548 -1.217 1.00 0.00 C ATOM 1048 C MET A 69 4.937 -16.783 -1.463 1.00 0.00 C ATOM 1049 O MET A 69 5.036 -17.662 -0.631 1.00 0.00 O ATOM 1050 CB MET A 69 4.319 -15.083 0.237 1.00 0.00 C ATOM 1051 CG MET A 69 5.325 -13.939 0.322 1.00 0.00 C ATOM 1052 SD MET A 69 6.974 -14.537 -0.037 1.00 0.00 S ATOM 1053 CE MET A 69 7.378 -15.449 1.445 1.00 0.00 C ATOM 0 H MET A 69 2.083 -15.476 -0.621 1.00 0.00 H new ATOM 0 HA MET A 69 4.312 -14.765 -1.938 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.374 -14.765 0.677 1.00 0.00 H new ATOM 0 HB3 MET A 69 4.679 -15.924 0.829 1.00 0.00 H new ATOM 0 HG2 MET A 69 5.054 -13.153 -0.383 1.00 0.00 H new ATOM 0 HG3 MET A 69 5.300 -13.496 1.318 1.00 0.00 H new ATOM 0 HE1 MET A 69 7.953 -16.336 1.181 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.968 -14.819 2.110 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.459 -15.749 1.949 1.00 0.00 H new ATOM 1063 N GLU A 70 5.504 -16.700 -2.679 1.00 0.00 N ATOM 1064 CA GLU A 70 6.384 -17.789 -3.120 1.00 0.00 C ATOM 1065 C GLU A 70 7.774 -17.553 -2.541 1.00 0.00 C ATOM 1066 O GLU A 70 8.128 -18.242 -1.619 1.00 0.00 O ATOM 1067 CB GLU A 70 6.531 -17.846 -4.648 1.00 0.00 C ATOM 1068 CG GLU A 70 7.750 -18.512 -5.236 1.00 0.00 C ATOM 1069 CD GLU A 70 7.419 -18.946 -6.667 1.00 0.00 C ATOM 1070 OE1 GLU A 70 6.947 -18.085 -7.410 1.00 0.00 O ATOM 1071 OE2 GLU A 70 7.606 -20.105 -7.077 1.00 0.00 O ATOM 0 H GLU A 70 5.378 -15.934 -3.341 1.00 0.00 H new ATOM 0 HA GLU A 70 5.940 -18.724 -2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.653 -18.355 -5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.502 -16.822 -5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.596 -17.825 -5.234 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.038 -19.374 -4.635 1.00 0.00 H new ATOM 1078 N GLY A 71 8.427 -16.577 -3.166 1.00 0.00 N ATOM 1079 CA GLY A 71 9.748 -16.297 -2.668 1.00 0.00 C ATOM 1080 C GLY A 71 9.920 -14.776 -2.612 1.00 0.00 C ATOM 1081 O GLY A 71 9.794 -14.202 -1.524 1.00 0.00 O ATOM 0 H GLY A 71 8.093 -16.016 -3.949 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.882 -16.732 -1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.502 -16.742 -3.317 1.00 0.00 H new ATOM 1085 N ASN A 72 10.206 -14.234 -3.800 1.00 0.00 N ATOM 1086 CA ASN A 72 10.392 -12.794 -3.854 1.00 0.00 C ATOM 1087 C ASN A 72 9.317 -12.189 -4.765 1.00 0.00 C ATOM 1088 O ASN A 72 9.679 -11.338 -5.574 1.00 0.00 O ATOM 1089 CB ASN A 72 11.817 -12.575 -4.357 1.00 0.00 C ATOM 1090 CG ASN A 72 12.679 -13.656 -3.696 1.00 0.00 C ATOM 1091 OD1 ASN A 72 12.777 -14.785 -4.173 1.00 0.00 O ATOM 1092 ND2 ASN A 72 13.281 -13.251 -2.595 1.00 0.00 N ATOM 0 H ASN A 72 10.307 -14.737 -4.681 1.00 0.00 H new ATOM 0 HA ASN A 72 10.279 -12.301 -2.889 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.862 -12.653 -5.443 1.00 0.00 H new ATOM 0 HB3 ASN A 72 12.173 -11.579 -4.094 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.879 -13.893 -2.075 1.00 0.00 H new ATOM 0 HD22 ASN A 72 13.149 -12.296 -2.263 1.00 0.00 H new ATOM 1099 N LYS A 73 8.077 -12.694 -4.551 1.00 0.00 N ATOM 1100 CA LYS A 73 7.000 -12.164 -5.385 1.00 0.00 C ATOM 1101 C LYS A 73 5.699 -11.977 -4.608 1.00 0.00 C ATOM 1102 O LYS A 73 5.679 -12.294 -3.419 1.00 0.00 O ATOM 1103 CB LYS A 73 6.828 -12.940 -6.669 1.00 0.00 C ATOM 1104 CG LYS A 73 7.847 -12.641 -7.762 1.00 0.00 C ATOM 1105 CD LYS A 73 8.913 -13.724 -7.835 1.00 0.00 C ATOM 1106 CE LYS A 73 10.250 -13.056 -8.215 1.00 0.00 C ATOM 1107 NZ LYS A 73 11.063 -13.848 -9.113 1.00 0.00 N ATOM 0 H LYS A 73 7.821 -13.406 -3.867 1.00 0.00 H new ATOM 0 HA LYS A 73 7.304 -11.163 -5.689 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.872 -14.004 -6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.831 -12.740 -7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.340 -12.562 -8.723 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.318 -11.677 -7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.002 -14.236 -6.877 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.640 -14.477 -8.574 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.045 -12.092 -8.680 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.817 -12.857 -7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.944 -13.338 -9.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.289 -14.759 -8.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.541 -14.017 -9.996 1.00 0.00 H new ATOM 1121 N LEU A 74 4.696 -11.475 -5.306 1.00 0.00 N ATOM 1122 CA LEU A 74 3.423 -11.268 -4.625 1.00 0.00 C ATOM 1123 C LEU A 74 2.269 -11.453 -5.586 1.00 0.00 C ATOM 1124 O LEU A 74 1.865 -10.505 -6.243 1.00 0.00 O ATOM 1125 CB LEU A 74 3.476 -9.903 -3.939 1.00 0.00 C ATOM 1126 CG LEU A 74 3.695 -10.095 -2.410 1.00 0.00 C ATOM 1127 CD1 LEU A 74 3.834 -8.814 -1.636 1.00 0.00 C ATOM 1128 CD2 LEU A 74 2.642 -10.981 -1.724 1.00 0.00 C ATOM 0 H LEU A 74 4.726 -11.214 -6.292 1.00 0.00 H new ATOM 0 HA LEU A 74 3.251 -12.014 -3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.284 -9.304 -4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.549 -9.358 -4.118 1.00 0.00 H new ATOM 0 HG LEU A 74 4.652 -10.616 -2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.983 -9.041 -0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.690 -8.253 -2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.929 -8.217 -1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.871 -11.061 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.655 -10.537 -1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.653 -11.974 -2.174 1.00 0.00 H new ATOM 1140 N VAL A 75 1.818 -12.721 -5.586 1.00 0.00 N ATOM 1141 CA VAL A 75 0.733 -13.088 -6.447 1.00 0.00 C ATOM 1142 C VAL A 75 -0.517 -13.632 -5.798 1.00 0.00 C ATOM 1143 O VAL A 75 -0.568 -14.634 -5.115 1.00 0.00 O ATOM 1144 CB VAL A 75 1.357 -14.125 -7.407 1.00 0.00 C ATOM 1145 CG1 VAL A 75 0.392 -14.679 -8.439 1.00 0.00 C ATOM 1146 CG2 VAL A 75 2.408 -13.453 -8.299 1.00 0.00 C ATOM 0 H VAL A 75 2.191 -13.474 -5.008 1.00 0.00 H new ATOM 0 HA VAL A 75 0.346 -12.187 -6.923 1.00 0.00 H new ATOM 0 HB VAL A 75 1.727 -14.902 -6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.910 -15.399 -9.072 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.438 -15.172 -7.933 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.010 -13.864 -9.054 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.841 -14.193 -8.972 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.937 -12.663 -8.884 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.193 -13.025 -7.676 1.00 0.00 H new ATOM 1156 N GLY A 76 -1.525 -12.828 -6.108 1.00 0.00 N ATOM 1157 CA GLY A 76 -2.851 -13.156 -5.586 1.00 0.00 C ATOM 1158 C GLY A 76 -3.730 -11.947 -6.021 1.00 0.00 C ATOM 1159 O GLY A 76 -3.479 -11.512 -7.127 1.00 0.00 O ATOM 0 H GLY A 76 -1.464 -11.989 -6.685 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.224 -14.092 -6.001 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.837 -13.271 -4.502 1.00 0.00 H new ATOM 1163 N LYS A 77 -4.643 -11.567 -5.080 1.00 0.00 N ATOM 1164 CA LYS A 77 -5.469 -10.450 -5.460 1.00 0.00 C ATOM 1165 C LYS A 77 -6.446 -10.028 -4.404 1.00 0.00 C ATOM 1166 O LYS A 77 -7.156 -10.828 -3.852 1.00 0.00 O ATOM 1167 CB LYS A 77 -6.222 -10.927 -6.718 1.00 0.00 C ATOM 1168 CG LYS A 77 -7.654 -10.491 -6.760 1.00 0.00 C ATOM 1169 CD LYS A 77 -8.579 -11.513 -7.423 1.00 0.00 C ATOM 1170 CE LYS A 77 -9.885 -10.902 -7.935 1.00 0.00 C ATOM 1171 NZ LYS A 77 -9.729 -9.556 -8.526 1.00 0.00 N ATOM 0 H LYS A 77 -4.797 -11.981 -4.160 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.848 -9.570 -5.627 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.710 -10.550 -7.603 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.181 -12.015 -6.766 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.000 -10.305 -5.743 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.723 -9.546 -7.299 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.054 -11.982 -8.255 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.811 -12.302 -6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.317 -11.568 -8.682 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.595 -10.845 -7.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.588 -9.308 -9.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.577 -8.860 -7.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.912 -9.552 -9.169 1.00 0.00 H new ATOM 1185 N PHE A 78 -6.402 -8.701 -4.218 1.00 0.00 N ATOM 1186 CA PHE A 78 -7.326 -8.121 -3.218 1.00 0.00 C ATOM 1187 C PHE A 78 -8.009 -7.045 -4.022 1.00 0.00 C ATOM 1188 O PHE A 78 -7.693 -6.631 -5.108 1.00 0.00 O ATOM 1189 CB PHE A 78 -6.530 -7.743 -1.999 1.00 0.00 C ATOM 1190 CG PHE A 78 -5.746 -8.862 -1.412 1.00 0.00 C ATOM 1191 CD1 PHE A 78 -4.812 -9.608 -2.072 1.00 0.00 C ATOM 1192 CD2 PHE A 78 -5.926 -9.232 -0.074 1.00 0.00 C ATOM 1193 CE1 PHE A 78 -4.168 -10.614 -1.400 1.00 0.00 C ATOM 1194 CE2 PHE A 78 -5.226 -10.252 0.495 1.00 0.00 C ATOM 1195 CZ PHE A 78 -4.313 -10.940 -0.255 1.00 0.00 C ATOM 0 H PHE A 78 -5.788 -8.046 -4.703 1.00 0.00 H new ATOM 0 HA PHE A 78 -8.098 -8.753 -2.778 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.848 -6.934 -2.261 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.210 -7.354 -1.241 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.584 -9.408 -3.109 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.643 -8.691 0.526 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.445 -11.180 -1.969 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.391 -10.515 1.529 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.741 -11.751 0.170 1.00 0.00 H new ATOM 1205 N LYS A 79 -9.065 -6.623 -3.294 1.00 0.00 N ATOM 1206 CA LYS A 79 -9.899 -5.595 -3.826 1.00 0.00 C ATOM 1207 C LYS A 79 -10.904 -5.046 -2.844 1.00 0.00 C ATOM 1208 O LYS A 79 -11.424 -5.807 -2.045 1.00 0.00 O ATOM 1209 CB LYS A 79 -10.666 -6.333 -4.970 1.00 0.00 C ATOM 1210 CG LYS A 79 -11.531 -5.364 -5.758 1.00 0.00 C ATOM 1211 CD LYS A 79 -13.010 -5.799 -5.988 1.00 0.00 C ATOM 1212 CE LYS A 79 -13.055 -7.225 -6.547 1.00 0.00 C ATOM 1213 NZ LYS A 79 -14.272 -7.622 -7.237 1.00 0.00 N ATOM 0 H LYS A 79 -9.330 -6.979 -2.376 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.304 -4.733 -4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.953 -6.816 -5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.289 -7.120 -4.546 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.532 -4.405 -5.240 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.066 -5.201 -6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.563 -5.750 -5.050 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.496 -5.112 -6.681 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.219 -7.346 -7.236 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.891 -7.918 -5.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.038 -8.299 -7.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.925 -8.068 -6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.724 -6.783 -7.653 1.00 0.00 H new ATOM 1227 N ARG A 80 -11.162 -3.732 -2.939 1.00 0.00 N ATOM 1228 CA ARG A 80 -12.140 -3.147 -2.034 1.00 0.00 C ATOM 1229 C ARG A 80 -13.424 -2.859 -2.868 1.00 0.00 C ATOM 1230 O ARG A 80 -13.727 -1.707 -3.109 1.00 0.00 O ATOM 1231 CB ARG A 80 -11.652 -1.938 -1.247 1.00 0.00 C ATOM 1232 CG ARG A 80 -10.345 -1.371 -1.790 1.00 0.00 C ATOM 1233 CD ARG A 80 -9.649 -0.399 -0.828 1.00 0.00 C ATOM 1234 NE ARG A 80 -8.915 0.560 -1.619 1.00 0.00 N ATOM 1235 CZ ARG A 80 -8.602 1.770 -1.167 1.00 0.00 C ATOM 1236 NH1 ARG A 80 -8.915 2.250 0.037 1.00 0.00 N ATOM 1237 NH2 ARG A 80 -7.912 2.542 -2.022 1.00 0.00 N ATOM 0 H ARG A 80 -10.728 -3.089 -3.601 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.349 -3.863 -1.239 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.417 -1.162 -1.270 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -11.515 -2.220 -0.203 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.667 -2.195 -2.014 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -10.545 -0.857 -2.730 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -10.382 0.106 -0.200 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -8.976 -0.938 -0.161 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.625 0.299 -2.561 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -9.437 1.673 0.696 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -8.632 3.194 0.299 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -7.665 2.186 -2.945 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -7.635 3.485 -1.748 1.00 0.00 H new ATOM 1251 N VAL A 81 -14.000 -4.000 -3.207 1.00 0.00 N ATOM 1252 CA VAL A 81 -15.196 -4.163 -3.976 1.00 0.00 C ATOM 1253 C VAL A 81 -16.239 -3.049 -3.818 1.00 0.00 C ATOM 1254 O VAL A 81 -16.794 -2.714 -4.862 1.00 0.00 O ATOM 1255 CB VAL A 81 -15.804 -5.498 -3.537 1.00 0.00 C ATOM 1256 CG1 VAL A 81 -16.782 -5.347 -2.357 1.00 0.00 C ATOM 1257 CG2 VAL A 81 -16.606 -6.288 -4.577 1.00 0.00 C ATOM 0 H VAL A 81 -13.604 -4.897 -2.924 1.00 0.00 H new ATOM 0 HA VAL A 81 -14.922 -4.127 -5.030 1.00 0.00 H new ATOM 0 HB VAL A 81 -14.891 -6.043 -3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.182 -6.325 -2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -16.257 -4.922 -1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -17.600 -4.687 -2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -16.976 -7.210 -4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -17.449 -5.687 -4.920 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -15.964 -6.530 -5.424 1.00 0.00 H new ATOM 1267 N ASP A 82 -16.386 -2.615 -2.582 1.00 0.00 N ATOM 1268 CA ASP A 82 -17.331 -1.574 -2.260 1.00 0.00 C ATOM 1269 C ASP A 82 -17.091 -0.304 -3.055 1.00 0.00 C ATOM 1270 O ASP A 82 -18.099 0.381 -3.264 1.00 0.00 O ATOM 1271 CB ASP A 82 -17.229 -1.293 -0.738 1.00 0.00 C ATOM 1272 CG ASP A 82 -15.860 -0.718 -0.423 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -14.854 -1.362 -0.685 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -15.835 0.400 0.090 1.00 0.00 O ATOM 0 H ASP A 82 -15.859 -2.971 -1.784 1.00 0.00 H new ATOM 0 HA ASP A 82 -18.332 -1.912 -2.527 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.008 -0.595 -0.433 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -17.388 -2.213 -0.176 1.00 0.00 H new ATOM 1279 N ASN A 83 -15.809 -0.074 -3.439 1.00 0.00 N ATOM 1280 CA ASN A 83 -15.559 1.118 -4.181 1.00 0.00 C ATOM 1281 C ASN A 83 -14.097 1.449 -4.438 1.00 0.00 C ATOM 1282 O ASN A 83 -13.831 2.396 -5.206 1.00 0.00 O ATOM 1283 CB ASN A 83 -16.061 2.306 -3.309 1.00 0.00 C ATOM 1284 CG ASN A 83 -14.832 2.982 -2.670 1.00 0.00 C ATOM 1285 OD1 ASN A 83 -14.348 4.025 -3.059 1.00 0.00 O ATOM 1286 ND2 ASN A 83 -14.327 2.311 -1.614 1.00 0.00 N ATOM 0 H ASN A 83 -15.004 -0.671 -3.249 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.048 0.965 -5.143 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -16.614 3.020 -3.920 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -16.744 1.950 -2.538 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -13.515 2.678 -1.118 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -14.757 1.437 -1.312 1.00 0.00 H new ATOM 1293 N GLY A 84 -13.142 0.727 -3.852 1.00 0.00 N ATOM 1294 CA GLY A 84 -11.771 1.139 -4.152 1.00 0.00 C ATOM 1295 C GLY A 84 -11.348 0.218 -5.315 1.00 0.00 C ATOM 1296 O GLY A 84 -10.600 0.684 -6.165 1.00 0.00 O ATOM 0 H GLY A 84 -13.267 -0.069 -3.227 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.724 2.190 -4.438 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.119 1.015 -3.287 1.00 0.00 H new ATOM 1300 N LYS A 85 -11.907 -0.991 -5.175 1.00 0.00 N ATOM 1301 CA LYS A 85 -11.625 -1.992 -6.165 1.00 0.00 C ATOM 1302 C LYS A 85 -10.284 -2.695 -6.080 1.00 0.00 C ATOM 1303 O LYS A 85 -9.673 -2.445 -5.043 1.00 0.00 O ATOM 1304 CB LYS A 85 -11.766 -1.343 -7.545 1.00 0.00 C ATOM 1305 CG LYS A 85 -12.453 -2.365 -8.447 1.00 0.00 C ATOM 1306 CD LYS A 85 -13.850 -1.825 -8.760 1.00 0.00 C ATOM 1307 CE LYS A 85 -14.940 -1.946 -7.702 1.00 0.00 C ATOM 1308 NZ LYS A 85 -16.231 -1.941 -8.414 1.00 0.00 N ATOM 0 H LYS A 85 -12.527 -1.275 -4.416 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.346 -2.787 -5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.353 -0.427 -7.483 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.790 -1.070 -7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.883 -2.513 -9.364 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.517 -3.334 -7.952 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -13.747 -0.769 -9.008 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -14.205 -2.330 -9.658 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -14.820 -2.864 -7.127 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -14.886 -1.118 -6.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -17.007 -2.022 -7.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -16.331 -1.053 -8.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -16.267 -2.745 -9.073 1.00 0.00 H new ATOM 1322 N GLU A 86 -10.001 -3.476 -7.124 1.00 0.00 N ATOM 1323 CA GLU A 86 -8.759 -4.187 -7.065 1.00 0.00 C ATOM 1324 C GLU A 86 -7.568 -3.303 -6.683 1.00 0.00 C ATOM 1325 O GLU A 86 -7.677 -2.144 -7.051 1.00 0.00 O ATOM 1326 CB GLU A 86 -8.405 -4.979 -8.323 1.00 0.00 C ATOM 1327 CG GLU A 86 -9.381 -6.081 -8.746 1.00 0.00 C ATOM 1328 CD GLU A 86 -9.062 -6.627 -10.137 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -8.598 -5.959 -11.059 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -9.282 -7.809 -10.349 1.00 0.00 O ATOM 0 H GLU A 86 -10.576 -3.617 -7.954 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.943 -4.907 -6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.308 -4.276 -9.150 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.425 -5.433 -8.174 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.346 -6.894 -8.021 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.398 -5.688 -8.735 1.00 0.00 H new ATOM 1337 N LEU A 87 -6.661 -3.993 -6.031 1.00 0.00 N ATOM 1338 CA LEU A 87 -5.386 -3.461 -5.542 1.00 0.00 C ATOM 1339 C LEU A 87 -4.408 -4.605 -5.340 1.00 0.00 C ATOM 1340 O LEU A 87 -3.645 -4.550 -4.421 1.00 0.00 O ATOM 1341 CB LEU A 87 -5.504 -2.481 -4.379 1.00 0.00 C ATOM 1342 CG LEU A 87 -5.798 -3.179 -3.026 1.00 0.00 C ATOM 1343 CD1 LEU A 87 -6.487 -2.127 -2.133 1.00 0.00 C ATOM 1344 CD2 LEU A 87 -6.633 -4.443 -3.060 1.00 0.00 C ATOM 0 H LEU A 87 -6.785 -4.981 -5.812 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.970 -2.811 -6.312 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.578 -1.913 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.298 -1.766 -4.593 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.838 -3.533 -2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.717 -2.568 -1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.822 -1.275 -1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.410 -1.794 -2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.759 -4.823 -2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.610 -4.222 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.131 -5.195 -3.669 1.00 0.00 H new ATOM 1356 N ILE A 88 -4.618 -5.499 -6.274 1.00 0.00 N ATOM 1357 CA ILE A 88 -3.822 -6.736 -6.341 1.00 0.00 C ATOM 1358 C ILE A 88 -2.407 -6.161 -6.260 1.00 0.00 C ATOM 1359 O ILE A 88 -2.151 -5.295 -7.047 1.00 0.00 O ATOM 1360 CB ILE A 88 -4.130 -7.334 -7.699 1.00 0.00 C ATOM 1361 CG1 ILE A 88 -5.587 -7.787 -7.827 1.00 0.00 C ATOM 1362 CG2 ILE A 88 -3.271 -8.517 -8.136 1.00 0.00 C ATOM 1363 CD1 ILE A 88 -5.918 -8.485 -9.148 1.00 0.00 C ATOM 0 H ILE A 88 -5.326 -5.410 -7.003 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.992 -7.508 -5.591 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.900 -6.493 -8.353 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.818 -8.464 -7.005 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.236 -6.918 -7.717 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.590 -8.853 -9.123 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.225 -8.212 -8.177 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.383 -9.332 -7.421 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.969 -8.772 -9.154 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.723 -7.805 -9.978 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.298 -9.375 -9.254 1.00 0.00 H new ATOM 1375 N ALA A 89 -1.707 -6.741 -5.305 1.00 0.00 N ATOM 1376 CA ALA A 89 -0.343 -6.343 -5.039 1.00 0.00 C ATOM 1377 C ALA A 89 0.616 -7.110 -5.897 1.00 0.00 C ATOM 1378 O ALA A 89 1.345 -7.911 -5.368 1.00 0.00 O ATOM 1379 CB ALA A 89 0.027 -6.502 -3.532 1.00 0.00 C ATOM 0 H ALA A 89 -2.060 -7.486 -4.704 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.264 -5.285 -5.288 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.060 -6.192 -3.376 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.633 -5.880 -2.928 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.087 -7.545 -3.237 1.00 0.00 H new ATOM 1385 N VAL A 90 0.525 -6.777 -7.197 1.00 0.00 N ATOM 1386 CA VAL A 90 1.455 -7.525 -8.001 1.00 0.00 C ATOM 1387 C VAL A 90 2.833 -6.992 -7.521 1.00 0.00 C ATOM 1388 O VAL A 90 3.148 -5.837 -7.848 1.00 0.00 O ATOM 1389 CB VAL A 90 1.366 -7.268 -9.496 1.00 0.00 C ATOM 1390 CG1 VAL A 90 2.653 -7.734 -10.199 1.00 0.00 C ATOM 1391 CG2 VAL A 90 0.317 -8.062 -10.252 1.00 0.00 C ATOM 0 H VAL A 90 -0.089 -6.098 -7.647 1.00 0.00 H new ATOM 0 HA VAL A 90 1.267 -8.592 -7.881 1.00 0.00 H new ATOM 0 HB VAL A 90 1.148 -6.201 -9.527 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.573 -7.543 -11.269 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.506 -7.188 -9.796 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.793 -8.802 -10.031 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.349 -7.794 -11.308 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.518 -9.128 -10.142 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.670 -7.836 -9.850 1.00 0.00 H new ATOM 1401 N ARG A 91 3.533 -7.874 -6.784 1.00 0.00 N ATOM 1402 CA ARG A 91 4.801 -7.365 -6.341 1.00 0.00 C ATOM 1403 C ARG A 91 5.888 -8.410 -6.442 1.00 0.00 C ATOM 1404 O ARG A 91 5.611 -9.553 -6.655 1.00 0.00 O ATOM 1405 CB ARG A 91 4.785 -6.998 -4.845 1.00 0.00 C ATOM 1406 CG ARG A 91 5.438 -5.672 -4.535 1.00 0.00 C ATOM 1407 CD ARG A 91 5.144 -5.141 -3.144 1.00 0.00 C ATOM 1408 NE ARG A 91 3.743 -4.790 -2.989 1.00 0.00 N ATOM 1409 CZ ARG A 91 3.148 -4.772 -1.803 1.00 0.00 C ATOM 1410 NH1 ARG A 91 3.824 -5.087 -0.699 1.00 0.00 N ATOM 1411 NH2 ARG A 91 1.867 -4.444 -1.635 1.00 0.00 N ATOM 0 H ARG A 91 3.271 -8.823 -6.518 1.00 0.00 H new ATOM 0 HA ARG A 91 4.987 -6.501 -6.979 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.752 -6.974 -4.498 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.292 -7.782 -4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.517 -5.776 -4.651 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.108 -4.937 -5.269 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.415 -5.893 -2.403 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.763 -4.265 -2.951 1.00 0.00 H new ATOM 0 HE ARG A 91 3.199 -4.550 -3.818 1.00 0.00 H new ATOM 0 HH11 ARG A 91 4.809 -5.345 -0.760 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.357 -5.070 0.207 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.295 -4.191 -2.441 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.458 -4.446 -0.700 1.00 0.00 H new ATOM 1425 N GLU A 92 7.077 -7.772 -6.248 1.00 0.00 N ATOM 1426 CA GLU A 92 8.255 -8.615 -6.304 1.00 0.00 C ATOM 1427 C GLU A 92 9.479 -7.759 -5.971 1.00 0.00 C ATOM 1428 O GLU A 92 9.959 -7.166 -6.935 1.00 0.00 O ATOM 1429 CB GLU A 92 8.259 -9.146 -7.727 1.00 0.00 C ATOM 1430 CG GLU A 92 7.614 -8.171 -8.759 1.00 0.00 C ATOM 1431 CD GLU A 92 8.143 -8.563 -10.133 1.00 0.00 C ATOM 1432 OE1 GLU A 92 9.279 -8.225 -10.468 1.00 0.00 O ATOM 1433 OE2 GLU A 92 7.385 -9.208 -10.838 1.00 0.00 O ATOM 0 H GLU A 92 7.220 -6.778 -6.070 1.00 0.00 H new ATOM 0 HA GLU A 92 8.266 -9.441 -5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.287 -9.351 -8.027 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.724 -10.095 -7.753 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.527 -8.242 -8.730 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.872 -7.138 -8.527 1.00 0.00 H new ATOM 1440 N ILE A 93 9.799 -7.816 -4.678 1.00 0.00 N ATOM 1441 CA ILE A 93 10.928 -7.085 -4.112 1.00 0.00 C ATOM 1442 C ILE A 93 12.024 -6.859 -5.125 1.00 0.00 C ATOM 1443 O ILE A 93 12.760 -7.804 -5.458 1.00 0.00 O ATOM 1444 CB ILE A 93 11.496 -7.733 -2.833 1.00 0.00 C ATOM 1445 CG1 ILE A 93 12.929 -7.200 -2.562 1.00 0.00 C ATOM 1446 CG2 ILE A 93 11.689 -9.216 -2.959 1.00 0.00 C ATOM 1447 CD1 ILE A 93 12.926 -5.703 -2.322 1.00 0.00 C ATOM 0 H ILE A 93 9.282 -8.370 -3.996 1.00 0.00 H new ATOM 0 HA ILE A 93 10.525 -6.115 -3.823 1.00 0.00 H new ATOM 0 HB ILE A 93 10.774 -7.495 -2.052 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.350 -7.708 -1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.572 -7.433 -3.411 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.091 -9.611 -2.026 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.731 -9.691 -3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 93 12.385 -9.425 -3.771 1.00 0.00 H new ATOM 0 HD11 ILE A 93 13.944 -5.362 -2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 93 12.528 -5.194 -3.200 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.303 -5.474 -1.457 1.00 0.00 H new ATOM 1459 N SER A 94 12.036 -5.603 -5.544 1.00 0.00 N ATOM 1460 CA SER A 94 13.049 -5.285 -6.516 1.00 0.00 C ATOM 1461 C SER A 94 14.321 -4.712 -5.904 1.00 0.00 C ATOM 1462 O SER A 94 14.249 -3.785 -5.094 1.00 0.00 O ATOM 1463 CB SER A 94 12.415 -4.337 -7.554 1.00 0.00 C ATOM 1464 OG SER A 94 11.524 -5.013 -8.375 1.00 0.00 O ATOM 0 H SER A 94 11.412 -4.850 -5.254 1.00 0.00 H new ATOM 0 HA SER A 94 13.383 -6.204 -6.998 1.00 0.00 H new ATOM 0 HB2 SER A 94 11.897 -3.526 -7.041 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.198 -3.882 -8.160 1.00 0.00 H new ATOM 0 HG SER A 94 11.017 -5.662 -7.844 1.00 0.00 H new ATOM 1470 N GLY A 95 15.441 -5.288 -6.320 1.00 0.00 N ATOM 1471 CA GLY A 95 16.713 -4.799 -5.782 1.00 0.00 C ATOM 1472 C GLY A 95 16.605 -5.282 -4.302 1.00 0.00 C ATOM 1473 O GLY A 95 16.558 -6.467 -4.049 1.00 0.00 O ATOM 0 H GLY A 95 15.503 -6.053 -6.991 1.00 0.00 H new ATOM 0 HA2 GLY A 95 17.573 -5.229 -6.296 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.805 -3.716 -5.858 1.00 0.00 H new ATOM 1477 N ASN A 96 16.578 -4.221 -3.466 1.00 0.00 N ATOM 1478 CA ASN A 96 16.475 -4.465 -2.054 1.00 0.00 C ATOM 1479 C ASN A 96 15.700 -3.289 -1.422 1.00 0.00 C ATOM 1480 O ASN A 96 16.239 -2.632 -0.511 1.00 0.00 O ATOM 1481 CB ASN A 96 17.894 -4.541 -1.496 1.00 0.00 C ATOM 1482 CG ASN A 96 17.799 -5.184 -0.115 1.00 0.00 C ATOM 1483 OD1 ASN A 96 18.130 -4.589 0.876 1.00 0.00 O ATOM 1484 ND2 ASN A 96 17.311 -6.439 -0.238 1.00 0.00 N ATOM 0 H ASN A 96 16.625 -3.242 -3.747 1.00 0.00 H new ATOM 0 HA ASN A 96 15.949 -5.394 -1.835 1.00 0.00 H new ATOM 0 HB2 ASN A 96 18.535 -5.130 -2.152 1.00 0.00 H new ATOM 0 HB3 ASN A 96 18.335 -3.547 -1.428 1.00 0.00 H new ATOM 0 HD21 ASN A 96 17.180 -7.019 0.591 1.00 0.00 H new ATOM 0 HD22 ASN A 96 17.074 -6.806 -1.160 1.00 0.00 H new ATOM 1491 N GLU A 97 14.506 -3.167 -1.986 1.00 0.00 N ATOM 1492 CA GLU A 97 13.500 -2.191 -1.648 1.00 0.00 C ATOM 1493 C GLU A 97 12.305 -2.392 -2.638 1.00 0.00 C ATOM 1494 O GLU A 97 12.471 -2.196 -3.813 1.00 0.00 O ATOM 1495 CB GLU A 97 13.922 -0.765 -1.494 1.00 0.00 C ATOM 1496 CG GLU A 97 15.133 -0.365 -2.340 1.00 0.00 C ATOM 1497 CD GLU A 97 15.083 -0.872 -3.759 1.00 0.00 C ATOM 1498 OE1 GLU A 97 14.327 -0.288 -4.539 1.00 0.00 O ATOM 1499 OE2 GLU A 97 15.785 -1.822 -4.086 1.00 0.00 O ATOM 0 H GLU A 97 14.204 -3.788 -2.736 1.00 0.00 H new ATOM 0 HA GLU A 97 13.208 -2.391 -0.617 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.083 -0.121 -1.757 1.00 0.00 H new ATOM 0 HB3 GLU A 97 14.151 -0.579 -0.445 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.209 0.722 -2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 97 16.038 -0.741 -1.862 1.00 0.00 H new ATOM 1506 N LEU A 98 11.246 -2.781 -1.908 1.00 0.00 N ATOM 1507 CA LEU A 98 9.984 -3.058 -2.487 1.00 0.00 C ATOM 1508 C LEU A 98 9.342 -1.780 -3.108 1.00 0.00 C ATOM 1509 O LEU A 98 9.525 -0.671 -2.659 1.00 0.00 O ATOM 1510 CB LEU A 98 9.061 -3.596 -1.372 1.00 0.00 C ATOM 1511 CG LEU A 98 8.154 -4.715 -1.863 1.00 0.00 C ATOM 1512 CD1 LEU A 98 8.894 -6.038 -1.863 1.00 0.00 C ATOM 1513 CD2 LEU A 98 7.126 -4.897 -0.713 1.00 0.00 C ATOM 0 H LEU A 98 11.274 -2.904 -0.896 1.00 0.00 H new ATOM 0 HA LEU A 98 10.113 -3.787 -3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.669 -3.961 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.451 -2.781 -0.984 1.00 0.00 H new ATOM 0 HG LEU A 98 7.761 -4.478 -2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.230 -6.826 -2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.760 -5.970 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.225 -6.270 -0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.423 -5.688 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.650 -5.166 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.582 -3.965 -0.560 1.00 0.00 H new ATOM 1525 N ILE A 99 8.619 -2.210 -4.155 1.00 0.00 N ATOM 1526 CA ILE A 99 7.849 -1.406 -5.015 1.00 0.00 C ATOM 1527 C ILE A 99 6.475 -2.153 -5.040 1.00 0.00 C ATOM 1528 O ILE A 99 6.676 -3.331 -5.303 1.00 0.00 O ATOM 1529 CB ILE A 99 8.437 -1.518 -6.460 1.00 0.00 C ATOM 1530 CG1 ILE A 99 9.707 -0.669 -6.515 1.00 0.00 C ATOM 1531 CG2 ILE A 99 7.389 -0.879 -7.373 1.00 0.00 C ATOM 1532 CD1 ILE A 99 10.112 -0.173 -7.876 1.00 0.00 C ATOM 0 H ILE A 99 8.578 -3.197 -4.408 1.00 0.00 H new ATOM 0 HA ILE A 99 7.807 -0.361 -4.709 1.00 0.00 H new ATOM 0 HB ILE A 99 8.663 -2.545 -6.746 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.572 0.193 -5.862 1.00 0.00 H new ATOM 0 HG13 ILE A 99 10.529 -1.255 -6.104 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.733 -0.921 -8.407 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.448 -1.421 -7.282 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.239 0.161 -7.082 1.00 0.00 H new ATOM 0 HD11 ILE A 99 11.025 0.417 -7.792 1.00 0.00 H new ATOM 0 HD12 ILE A 99 10.289 -1.023 -8.535 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.316 0.447 -8.289 1.00 0.00 H new ATOM 1544 N GLN A 100 5.404 -1.410 -4.790 1.00 0.00 N ATOM 1545 CA GLN A 100 4.093 -2.057 -4.803 1.00 0.00 C ATOM 1546 C GLN A 100 3.372 -1.283 -5.916 1.00 0.00 C ATOM 1547 O GLN A 100 3.329 -0.074 -5.937 1.00 0.00 O ATOM 1548 CB GLN A 100 3.432 -1.889 -3.441 1.00 0.00 C ATOM 1549 CG GLN A 100 4.342 -1.752 -2.226 1.00 0.00 C ATOM 1550 CD GLN A 100 3.616 -0.940 -1.124 1.00 0.00 C ATOM 1551 OE1 GLN A 100 2.906 -1.762 -0.313 1.00 0.00 O flip ATOM 1552 NE2 GLN A 100 3.675 0.263 -1.012 1.00 0.00 N flip ATOM 0 H GLN A 100 5.408 -0.411 -4.586 1.00 0.00 H new ATOM 0 HA GLN A 100 4.100 -3.132 -4.984 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.794 -1.006 -3.484 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.779 -2.746 -3.277 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.612 -2.738 -1.848 1.00 0.00 H new ATOM 0 HG3 GLN A 100 5.270 -1.254 -2.508 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.234 0.809 -1.667 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.165 0.731 -0.263 1.00 0.00 H new ATOM 1561 N THR A 101 2.858 -2.204 -6.755 1.00 0.00 N ATOM 1562 CA THR A 101 2.132 -1.776 -7.885 1.00 0.00 C ATOM 1563 C THR A 101 0.678 -1.422 -7.658 1.00 0.00 C ATOM 1564 O THR A 101 0.180 -0.435 -8.143 1.00 0.00 O ATOM 1565 CB THR A 101 2.111 -2.745 -9.079 1.00 0.00 C ATOM 1566 OG1 THR A 101 1.455 -3.932 -8.750 1.00 0.00 O ATOM 1567 CG2 THR A 101 3.452 -3.061 -9.725 1.00 0.00 C ATOM 0 H THR A 101 2.948 -3.214 -6.646 1.00 0.00 H new ATOM 0 HA THR A 101 2.717 -0.884 -8.108 1.00 0.00 H new ATOM 0 HB THR A 101 1.561 -2.191 -9.840 1.00 0.00 H new ATOM 0 HG1 THR A 101 2.116 -4.619 -8.523 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.303 -3.754 -10.553 1.00 0.00 H new ATOM 0 HG22 THR A 101 3.902 -2.141 -10.098 1.00 0.00 H new ATOM 0 HG23 THR A 101 4.113 -3.515 -8.987 1.00 0.00 H new ATOM 1575 N TYR A 102 0.126 -2.350 -6.882 1.00 0.00 N ATOM 1576 CA TYR A 102 -1.281 -2.185 -6.554 1.00 0.00 C ATOM 1577 C TYR A 102 -2.001 -2.196 -7.927 1.00 0.00 C ATOM 1578 O TYR A 102 -2.619 -1.215 -8.254 1.00 0.00 O ATOM 1579 CB TYR A 102 -1.603 -0.885 -5.851 1.00 0.00 C ATOM 1580 CG TYR A 102 -1.101 -0.664 -4.459 1.00 0.00 C ATOM 1581 CD1 TYR A 102 -1.874 -1.168 -3.426 1.00 0.00 C ATOM 1582 CD2 TYR A 102 0.028 -0.030 -4.049 1.00 0.00 C ATOM 1583 CE1 TYR A 102 -1.512 -1.030 -2.107 1.00 0.00 C ATOM 1584 CE2 TYR A 102 0.335 0.084 -2.716 1.00 0.00 C ATOM 1585 CZ TYR A 102 -0.509 -0.462 -1.745 1.00 0.00 C ATOM 1586 OH TYR A 102 -0.182 -0.341 -0.423 1.00 0.00 O ATOM 0 H TYR A 102 0.593 -3.169 -6.493 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.590 -2.972 -5.866 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.221 -0.074 -6.470 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -2.688 -0.784 -5.828 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -2.791 -1.686 -3.665 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.696 0.392 -4.785 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -2.160 -1.452 -1.353 1.00 0.00 H new ATOM 0 HE2 TYR A 102 1.235 0.599 -2.415 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.521 -1.117 0.070 1.00 0.00 H new ATOM 1596 N THR A 103 -1.831 -3.347 -8.608 1.00 0.00 N ATOM 1597 CA THR A 103 -2.434 -3.564 -9.941 1.00 0.00 C ATOM 1598 C THR A 103 -3.914 -3.281 -9.618 1.00 0.00 C ATOM 1599 O THR A 103 -4.689 -4.041 -9.066 1.00 0.00 O ATOM 1600 CB THR A 103 -2.119 -4.934 -10.473 1.00 0.00 C ATOM 1601 OG1 THR A 103 -0.728 -5.119 -10.729 1.00 0.00 O ATOM 1602 CG2 THR A 103 -2.820 -5.286 -11.779 1.00 0.00 C ATOM 0 H THR A 103 -1.286 -4.136 -8.261 1.00 0.00 H new ATOM 0 HA THR A 103 -2.065 -2.939 -10.755 1.00 0.00 H new ATOM 0 HB THR A 103 -2.477 -5.580 -9.672 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.205 -4.608 -10.077 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.533 -6.292 -12.086 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.900 -5.245 -11.635 1.00 0.00 H new ATOM 0 HG23 THR A 103 -2.529 -4.574 -12.551 1.00 0.00 H new ATOM 1610 N TYR A 104 -4.233 -2.039 -10.049 1.00 0.00 N ATOM 1611 CA TYR A 104 -5.574 -1.497 -9.872 1.00 0.00 C ATOM 1612 C TYR A 104 -6.209 -1.196 -11.217 1.00 0.00 C ATOM 1613 O TYR A 104 -5.732 -0.289 -11.918 1.00 0.00 O ATOM 1614 CB TYR A 104 -5.368 -0.303 -8.932 1.00 0.00 C ATOM 1615 CG TYR A 104 -6.398 0.771 -8.931 1.00 0.00 C ATOM 1616 CD1 TYR A 104 -7.675 0.710 -9.442 1.00 0.00 C ATOM 1617 CD2 TYR A 104 -6.030 1.974 -8.348 1.00 0.00 C ATOM 1618 CE1 TYR A 104 -8.494 1.807 -9.354 1.00 0.00 C ATOM 1619 CE2 TYR A 104 -6.923 3.027 -8.300 1.00 0.00 C ATOM 1620 CZ TYR A 104 -8.027 2.964 -8.747 1.00 0.00 C ATOM 1621 OH TYR A 104 -8.862 4.039 -8.668 1.00 0.00 O ATOM 0 H TYR A 104 -3.579 -1.410 -10.515 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.294 -2.182 -9.425 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.286 -0.688 -7.916 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -4.409 0.154 -9.178 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.030 -0.197 -9.910 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -5.041 2.088 -7.930 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -9.496 1.770 -9.755 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -6.607 3.950 -7.836 1.00 0.00 H new ATOM 0 HH TYR A 104 -8.402 4.778 -8.217 1.00 0.00 H new ATOM 1631 N GLU A 105 -7.254 -1.944 -11.550 1.00 0.00 N ATOM 1632 CA GLU A 105 -8.028 -1.865 -12.752 1.00 0.00 C ATOM 1633 C GLU A 105 -7.713 -0.760 -13.725 1.00 0.00 C ATOM 1634 O GLU A 105 -8.200 0.362 -13.501 1.00 0.00 O ATOM 1635 CB GLU A 105 -9.507 -1.676 -12.297 1.00 0.00 C ATOM 1636 CG GLU A 105 -10.033 -3.066 -11.924 1.00 0.00 C ATOM 1637 CD GLU A 105 -10.782 -3.730 -13.061 1.00 0.00 C ATOM 1638 OE1 GLU A 105 -11.689 -3.054 -13.592 1.00 0.00 O ATOM 1639 OE2 GLU A 105 -10.457 -4.887 -13.374 1.00 0.00 O ATOM 0 H GLU A 105 -7.597 -2.675 -10.927 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.801 -2.777 -13.305 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.566 -0.998 -11.445 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -10.105 -1.237 -13.096 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.197 -3.699 -11.626 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.692 -2.981 -11.060 1.00 0.00 H new ATOM 1646 N GLY A 106 -6.914 -1.103 -14.764 1.00 0.00 N ATOM 1647 CA GLY A 106 -6.605 -0.068 -15.705 1.00 0.00 C ATOM 1648 C GLY A 106 -5.285 0.623 -15.399 1.00 0.00 C ATOM 1649 O GLY A 106 -4.826 1.486 -16.139 1.00 0.00 O ATOM 0 H GLY A 106 -6.511 -2.023 -14.943 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -6.565 -0.493 -16.708 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.407 0.671 -15.704 1.00 0.00 H new ATOM 1653 N VAL A 107 -4.626 0.248 -14.272 1.00 0.00 N ATOM 1654 CA VAL A 107 -3.367 0.885 -13.949 1.00 0.00 C ATOM 1655 C VAL A 107 -2.514 0.156 -12.946 1.00 0.00 C ATOM 1656 O VAL A 107 -3.059 -0.578 -12.146 1.00 0.00 O ATOM 1657 CB VAL A 107 -3.771 2.219 -13.269 1.00 0.00 C ATOM 1658 CG1 VAL A 107 -2.827 2.618 -12.154 1.00 0.00 C ATOM 1659 CG2 VAL A 107 -3.749 3.365 -14.249 1.00 0.00 C ATOM 0 H VAL A 107 -4.944 -0.462 -13.612 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.781 0.952 -14.866 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.772 2.037 -12.877 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.159 3.559 -11.715 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.820 1.843 -11.388 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.821 2.740 -12.555 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.037 4.285 -13.740 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.744 3.476 -14.657 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.450 3.164 -15.059 1.00 0.00 H new ATOM 1669 N GLU A 108 -1.200 0.425 -13.069 1.00 0.00 N ATOM 1670 CA GLU A 108 -0.201 -0.185 -12.186 1.00 0.00 C ATOM 1671 C GLU A 108 0.429 1.046 -11.501 1.00 0.00 C ATOM 1672 O GLU A 108 1.064 1.848 -12.149 1.00 0.00 O ATOM 1673 CB GLU A 108 0.806 -1.061 -12.901 1.00 0.00 C ATOM 1674 CG GLU A 108 0.047 -2.172 -13.658 1.00 0.00 C ATOM 1675 CD GLU A 108 0.431 -2.180 -15.122 1.00 0.00 C ATOM 1676 OE1 GLU A 108 1.608 -2.097 -15.436 1.00 0.00 O ATOM 1677 OE2 GLU A 108 -0.513 -2.274 -15.912 1.00 0.00 O ATOM 0 H GLU A 108 -0.812 1.058 -13.769 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.638 -0.894 -11.483 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.398 -0.466 -13.597 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.501 -1.499 -12.185 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.272 -3.141 -13.213 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.027 -2.017 -13.560 1.00 0.00 H new ATOM 1684 N ALA A 109 0.194 1.119 -10.166 1.00 0.00 N ATOM 1685 CA ALA A 109 0.748 2.229 -9.493 1.00 0.00 C ATOM 1686 C ALA A 109 2.011 1.910 -8.683 1.00 0.00 C ATOM 1687 O ALA A 109 1.924 1.717 -7.486 1.00 0.00 O ATOM 1688 CB ALA A 109 -0.295 2.525 -8.372 1.00 0.00 C ATOM 0 H ALA A 109 -0.340 0.456 -9.604 1.00 0.00 H new ATOM 0 HA ALA A 109 0.976 2.999 -10.230 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.038 3.378 -7.781 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.261 2.751 -8.824 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -0.392 1.652 -7.726 1.00 0.00 H new ATOM 1694 N LYS A 110 3.072 1.891 -9.472 1.00 0.00 N ATOM 1695 CA LYS A 110 4.315 1.604 -8.814 1.00 0.00 C ATOM 1696 C LYS A 110 4.723 2.818 -7.976 1.00 0.00 C ATOM 1697 O LYS A 110 4.363 3.931 -8.343 1.00 0.00 O ATOM 1698 CB LYS A 110 5.506 1.363 -9.756 1.00 0.00 C ATOM 1699 CG LYS A 110 5.179 0.175 -10.671 1.00 0.00 C ATOM 1700 CD LYS A 110 6.404 -0.741 -10.854 1.00 0.00 C ATOM 1701 CE LYS A 110 7.132 -0.668 -12.198 1.00 0.00 C ATOM 1702 NZ LYS A 110 6.919 -1.882 -12.990 1.00 0.00 N ATOM 0 H LYS A 110 3.098 2.056 -10.478 1.00 0.00 H new ATOM 0 HA LYS A 110 4.124 0.694 -8.245 1.00 0.00 H new ATOM 0 HB2 LYS A 110 5.703 2.255 -10.351 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.408 1.158 -9.179 1.00 0.00 H new ATOM 0 HG2 LYS A 110 4.354 -0.397 -10.247 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.847 0.541 -11.642 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.121 -0.508 -10.067 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.083 -1.771 -10.698 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.780 0.199 -12.757 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.199 -0.526 -12.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.426 -1.800 -13.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.277 -2.706 -12.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.902 -2.003 -13.173 1.00 0.00 H new ATOM 1716 N ARG A 111 5.436 2.428 -6.926 1.00 0.00 N ATOM 1717 CA ARG A 111 5.901 3.484 -6.029 1.00 0.00 C ATOM 1718 C ARG A 111 7.383 3.151 -5.834 1.00 0.00 C ATOM 1719 O ARG A 111 7.944 2.375 -6.598 1.00 0.00 O ATOM 1720 CB ARG A 111 5.133 3.462 -4.711 1.00 0.00 C ATOM 1721 CG ARG A 111 3.634 3.712 -4.897 1.00 0.00 C ATOM 1722 CD ARG A 111 3.077 4.831 -3.996 1.00 0.00 C ATOM 1723 NE ARG A 111 3.723 6.029 -4.462 1.00 0.00 N ATOM 1724 CZ ARG A 111 3.363 7.253 -4.060 1.00 0.00 C ATOM 1725 NH1 ARG A 111 2.365 7.416 -3.194 1.00 0.00 N ATOM 1726 NH2 ARG A 111 4.004 8.319 -4.527 1.00 0.00 N ATOM 0 H ARG A 111 5.691 1.470 -6.684 1.00 0.00 H new ATOM 0 HA ARG A 111 5.747 4.487 -6.426 1.00 0.00 H new ATOM 0 HB2 ARG A 111 5.279 2.497 -4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 111 5.543 4.219 -4.043 1.00 0.00 H new ATOM 0 HG2 ARG A 111 3.444 3.968 -5.939 1.00 0.00 H new ATOM 0 HG3 ARG A 111 3.092 2.789 -4.692 1.00 0.00 H new ATOM 0 HD2 ARG A 111 1.993 4.906 -4.082 1.00 0.00 H new ATOM 0 HD3 ARG A 111 3.301 4.643 -2.946 1.00 0.00 H new ATOM 0 HE ARG A 111 4.490 5.941 -5.129 1.00 0.00 H new ATOM 0 HH11 ARG A 111 1.867 6.603 -2.831 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.098 8.354 -2.894 1.00 0.00 H new ATOM 0 HH21 ARG A 111 4.769 8.203 -5.191 1.00 0.00 H new ATOM 0 HH22 ARG A 111 3.731 9.253 -4.221 1.00 0.00 H new ATOM 1740 N ILE A 112 7.968 3.779 -4.779 1.00 0.00 N ATOM 1741 CA ILE A 112 9.364 3.418 -4.656 1.00 0.00 C ATOM 1742 C ILE A 112 9.873 3.765 -3.238 1.00 0.00 C ATOM 1743 O ILE A 112 10.515 4.804 -3.102 1.00 0.00 O ATOM 1744 CB ILE A 112 10.302 3.990 -5.701 1.00 0.00 C ATOM 1745 CG1 ILE A 112 9.674 5.194 -6.449 1.00 0.00 C ATOM 1746 CG2 ILE A 112 10.691 3.042 -6.818 1.00 0.00 C ATOM 1747 CD1 ILE A 112 10.718 6.177 -6.946 1.00 0.00 C ATOM 0 H ILE A 112 7.560 4.432 -4.110 1.00 0.00 H new ATOM 0 HA ILE A 112 9.385 2.343 -4.837 1.00 0.00 H new ATOM 0 HB ILE A 112 11.173 4.247 -5.099 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.092 4.829 -7.295 1.00 0.00 H new ATOM 0 HG13 ILE A 112 8.981 5.710 -5.784 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.363 3.551 -7.509 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.194 2.171 -6.398 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.796 2.721 -7.351 1.00 0.00 H new ATOM 0 HD11 ILE A 112 10.225 7.001 -7.462 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.284 6.566 -6.099 1.00 0.00 H new ATOM 0 HD13 ILE A 112 11.396 5.671 -7.634 1.00 0.00 H new ATOM 1759 N PHE A 113 9.524 2.851 -2.354 1.00 0.00 N ATOM 1760 CA PHE A 113 9.939 3.061 -0.987 1.00 0.00 C ATOM 1761 C PHE A 113 11.180 2.169 -0.786 1.00 0.00 C ATOM 1762 O PHE A 113 11.883 2.076 -1.785 1.00 0.00 O ATOM 1763 CB PHE A 113 8.912 2.772 0.072 1.00 0.00 C ATOM 1764 CG PHE A 113 7.563 3.365 -0.095 1.00 0.00 C ATOM 1765 CD1 PHE A 113 7.241 4.670 0.198 1.00 0.00 C ATOM 1766 CD2 PHE A 113 6.505 2.586 -0.574 1.00 0.00 C ATOM 1767 CE1 PHE A 113 5.967 5.175 0.025 1.00 0.00 C ATOM 1768 CE2 PHE A 113 5.284 3.219 -0.697 1.00 0.00 C ATOM 1769 CZ PHE A 113 5.048 4.529 -0.385 1.00 0.00 C ATOM 0 H PHE A 113 8.986 2.005 -2.542 1.00 0.00 H new ATOM 0 HA PHE A 113 10.131 4.126 -0.857 1.00 0.00 H new ATOM 0 HB2 PHE A 113 8.797 1.690 0.141 1.00 0.00 H new ATOM 0 HB3 PHE A 113 9.311 3.111 1.028 1.00 0.00 H new ATOM 0 HD1 PHE A 113 8.013 5.324 0.577 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.636 1.546 -0.834 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.791 6.211 0.274 1.00 0.00 H new ATOM 0 HE2 PHE A 113 4.454 2.636 -1.067 1.00 0.00 H new ATOM 0 HZ PHE A 113 4.067 4.965 -0.505 1.00 0.00 H new ATOM 1779 N LYS A 114 11.286 1.646 0.416 1.00 0.00 N ATOM 1780 CA LYS A 114 12.428 0.796 0.689 1.00 0.00 C ATOM 1781 C LYS A 114 12.252 0.022 2.011 1.00 0.00 C ATOM 1782 O LYS A 114 11.178 -0.249 2.464 1.00 0.00 O ATOM 1783 CB LYS A 114 13.710 1.579 0.558 1.00 0.00 C ATOM 1784 CG LYS A 114 13.975 2.639 1.627 1.00 0.00 C ATOM 1785 CD LYS A 114 12.736 2.928 2.516 1.00 0.00 C ATOM 1786 CE LYS A 114 12.908 4.200 3.401 1.00 0.00 C ATOM 1787 NZ LYS A 114 13.308 5.342 2.627 1.00 0.00 N ATOM 0 H LYS A 114 10.632 1.783 1.187 1.00 0.00 H new ATOM 0 HA LYS A 114 12.495 0.013 -0.066 1.00 0.00 H new ATOM 0 HB2 LYS A 114 14.542 0.875 0.563 1.00 0.00 H new ATOM 0 HB3 LYS A 114 13.713 2.069 -0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 114 14.800 2.311 2.259 1.00 0.00 H new ATOM 0 HG3 LYS A 114 14.292 3.563 1.144 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.859 3.050 1.880 1.00 0.00 H new ATOM 0 HD3 LYS A 114 12.547 2.068 3.158 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.969 4.418 3.910 1.00 0.00 H new ATOM 0 HE3 LYS A 114 13.652 4.007 4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 13.089 6.212 3.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 14.331 5.296 2.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 12.794 5.346 1.723 1.00 0.00 H new ATOM 1801 N LYS A 115 13.416 -0.308 2.547 1.00 0.00 N ATOM 1802 CA LYS A 115 13.600 -1.040 3.792 1.00 0.00 C ATOM 1803 C LYS A 115 14.274 -0.197 4.834 1.00 0.00 C ATOM 1804 O LYS A 115 14.010 0.994 4.959 1.00 0.00 O ATOM 1805 CB LYS A 115 14.358 -2.309 3.393 1.00 0.00 C ATOM 1806 CG LYS A 115 14.043 -3.452 4.394 1.00 0.00 C ATOM 1807 CD LYS A 115 15.308 -4.303 4.554 1.00 0.00 C ATOM 1808 CE LYS A 115 15.147 -5.502 5.487 1.00 0.00 C ATOM 1809 NZ LYS A 115 16.327 -6.310 5.663 1.00 0.00 N ATOM 0 H LYS A 115 14.302 -0.061 2.105 1.00 0.00 H new ATOM 0 HA LYS A 115 12.661 -1.311 4.275 1.00 0.00 H new ATOM 0 HB2 LYS A 115 14.075 -2.610 2.384 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.430 -2.113 3.378 1.00 0.00 H new ATOM 0 HG2 LYS A 115 13.735 -3.042 5.356 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.217 -4.062 4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.617 -4.661 3.572 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.112 -3.670 4.930 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.826 -5.140 6.464 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.347 -6.135 5.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.116 -7.096 6.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.627 -6.691 4.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 17.090 -5.727 6.062 1.00 0.00 H new ATOM 1823 N GLU A 116 15.158 -0.862 5.594 1.00 0.00 N ATOM 1824 CA GLU A 116 15.859 -0.158 6.635 1.00 0.00 C ATOM 1825 C GLU A 116 16.983 -1.030 7.199 1.00 0.00 C ATOM 1826 O GLU A 116 17.563 -1.842 6.471 1.00 0.00 O ATOM 1827 CB GLU A 116 14.784 0.054 7.731 1.00 0.00 C ATOM 1828 CG GLU A 116 15.137 1.018 8.827 1.00 0.00 C ATOM 1829 CD GLU A 116 14.650 2.441 8.422 1.00 0.00 C ATOM 1830 OE1 GLU A 116 15.290 2.970 7.511 1.00 0.00 O ATOM 1831 OE2 GLU A 116 13.702 2.934 9.006 1.00 0.00 O ATOM 1832 OXT GLU A 116 17.296 -0.913 8.372 1.00 0.00 O ATOM 0 H GLU A 116 15.387 -1.851 5.500 1.00 0.00 H new ATOM 0 HA GLU A 116 16.308 0.770 6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 116 13.869 0.401 7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 116 14.560 -0.912 8.183 1.00 0.00 H new ATOM 0 HG2 GLU A 116 14.670 0.712 9.763 1.00 0.00 H new ATOM 0 HG3 GLU A 116 16.214 1.021 8.994 1.00 0.00 H new