USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 249 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 46 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 47 THR OG1 : rot 86:sc= 0.0436 USER MOD Set 2.1: A 5 GLN : amide:sc= 0.478 K(o=1.4,f=-0.13) USER MOD Set 2.2: A 37 ASN : amide:sc= 0.915 K(o=1.4,f=-0.13) USER MOD Set 3.1: A 18 SER OG : rot -170:sc= 0.0302 USER MOD Set 3.2: A 63 LYS NZ :NH3+ -165:sc= 0.0328 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 33:sc= 0.0279 USER MOD Single : A 13 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00444) USER MOD Single : A 15 LYS NZ :NH3+ -179:sc= -2.03! (180deg=-2.05!) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 179:sc= 0.199 USER MOD Single : A 23 TYR OH : rot -17:sc= -2.45! USER MOD Single : A 25 ASN :FLIP amide:sc= -0.0825 F(o=-0.64,f=-0.083) USER MOD Single : A 32 HIS : no HD1:sc= 1.02 K(o=1,f=-4.1!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot -26:sc= 0.874 USER MOD Single : A 42 LYS NZ :NH3+ 137:sc= -1.17 (180deg=-1.33) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -132:sc= -0.815 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.325 USER MOD Single : A 56 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00242) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN :FLIP amide:sc= -2.44! C(o=-3.4!,f=-2.4!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HE2:sc= 0.162 K(o=0.16,f=-0.72) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.285 F(o=-1.2,f=-0.28) USER MOD Single : A 66 THR OG1 : rot -158:sc= 1.39 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN :FLIP amide:sc= -0.483 F(o=-4.4!,f=-0.48) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc=-0.00434 X(o=-0.0043,f=-0.29) USER MOD Single : A 72 ASN : amide:sc= -4.5 X(o=-4.5,f=-4.4!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN :FLIP amide:sc= -1.13 F(o=-2,f=-1.1) USER MOD Single : A 85 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.31) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -157:sc= -0.0523 (180deg=-1.1) USER MOD Single : A 93 ASN : amide:sc= -1.47 X(o=-1.5,f=-1.8) USER MOD Single : A 94 THR OG1 : rot 180:sc= -2.53! USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 176:sc= -0.663 (180deg=-0.746) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -171:sc= -0.0272 (180deg=-0.148) USER MOD Single : A 108 HIS : no HD1:sc= -0.32 X(o=-0.32,f=-0.4) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.352 -17.873 -4.472 1.00 0.00 N ATOM 2 CA GLY A 1 -1.094 -16.484 -4.916 1.00 0.00 C ATOM 3 C GLY A 1 0.155 -16.277 -5.802 1.00 0.00 C ATOM 4 O GLY A 1 1.228 -16.819 -5.540 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.211 -17.896 -3.886 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.483 -18.484 -5.303 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.543 -18.215 -3.915 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.967 -16.131 -5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.997 -15.853 -4.032 1.00 0.00 H new ATOM 8 N SER A 2 -0.064 -15.558 -6.901 1.00 0.00 N ATOM 9 CA SER A 2 0.979 -15.116 -7.854 1.00 0.00 C ATOM 10 C SER A 2 1.854 -13.976 -7.302 1.00 0.00 C ATOM 11 O SER A 2 1.466 -13.264 -6.375 1.00 0.00 O ATOM 12 CB SER A 2 0.309 -14.626 -9.144 1.00 0.00 C ATOM 13 OG SER A 2 -0.554 -15.640 -9.667 1.00 0.00 O ATOM 0 H SER A 2 -0.999 -15.252 -7.171 1.00 0.00 H new ATOM 0 HA SER A 2 1.625 -15.975 -8.036 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.262 -13.719 -8.944 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.069 -14.368 -9.882 1.00 0.00 H new ATOM 0 HG SER A 2 -0.978 -15.317 -10.489 1.00 0.00 H new ATOM 16 N MET A 3 2.974 -13.738 -7.980 1.00 0.00 N ATOM 17 CA MET A 3 3.880 -12.611 -7.675 1.00 0.00 C ATOM 18 C MET A 3 3.709 -11.522 -8.745 1.00 0.00 C ATOM 19 O MET A 3 3.990 -11.761 -9.917 1.00 0.00 O ATOM 20 CB MET A 3 5.349 -13.050 -7.650 1.00 0.00 C ATOM 21 CG MET A 3 5.655 -14.128 -6.608 1.00 0.00 C ATOM 22 SD MET A 3 7.427 -14.583 -6.601 1.00 0.00 S ATOM 23 CE MET A 3 7.300 -16.317 -6.227 1.00 0.00 C ATOM 0 H MET A 3 3.288 -14.316 -8.759 1.00 0.00 H new ATOM 0 HA MET A 3 3.620 -12.232 -6.687 1.00 0.00 H new ATOM 0 HB2 MET A 3 5.623 -13.423 -8.637 1.00 0.00 H new ATOM 0 HB3 MET A 3 5.975 -12.180 -7.453 1.00 0.00 H new ATOM 0 HG2 MET A 3 5.368 -13.770 -5.619 1.00 0.00 H new ATOM 0 HG3 MET A 3 5.053 -15.013 -6.813 1.00 0.00 H new ATOM 0 HE1 MET A 3 8.298 -16.754 -6.185 1.00 0.00 H new ATOM 0 HE2 MET A 3 6.806 -16.446 -5.264 1.00 0.00 H new ATOM 0 HE3 MET A 3 6.718 -16.815 -7.003 1.00 0.00 H new ATOM 25 N GLU A 4 3.029 -10.447 -8.344 1.00 0.00 N ATOM 26 CA GLU A 4 2.792 -9.234 -9.167 1.00 0.00 C ATOM 27 C GLU A 4 1.944 -9.452 -10.433 1.00 0.00 C ATOM 28 O GLU A 4 2.416 -9.902 -11.476 1.00 0.00 O ATOM 29 CB GLU A 4 4.118 -8.537 -9.502 1.00 0.00 C ATOM 30 CG GLU A 4 4.654 -7.798 -8.277 1.00 0.00 C ATOM 31 CD GLU A 4 6.166 -7.576 -8.339 1.00 0.00 C ATOM 32 OE1 GLU A 4 6.579 -6.570 -8.954 1.00 0.00 O ATOM 33 OE2 GLU A 4 6.862 -8.341 -7.635 1.00 0.00 O ATOM 0 H GLU A 4 2.612 -10.382 -7.415 1.00 0.00 H new ATOM 0 HA GLU A 4 2.183 -8.583 -8.540 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.848 -9.273 -9.839 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.970 -7.835 -10.323 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.152 -6.834 -8.190 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.410 -8.366 -7.379 1.00 0.00 H new ATOM 35 N GLN A 5 0.671 -9.097 -10.288 1.00 0.00 N ATOM 36 CA GLN A 5 -0.373 -9.229 -11.327 1.00 0.00 C ATOM 37 C GLN A 5 -1.594 -8.433 -10.835 1.00 0.00 C ATOM 38 O GLN A 5 -2.151 -8.762 -9.789 1.00 0.00 O ATOM 39 CB GLN A 5 -0.767 -10.705 -11.483 1.00 0.00 C ATOM 40 CG GLN A 5 -1.527 -11.002 -12.784 1.00 0.00 C ATOM 41 CD GLN A 5 -0.630 -11.465 -13.942 1.00 0.00 C ATOM 42 OE1 GLN A 5 -0.731 -11.012 -15.075 1.00 0.00 O ATOM 43 NE2 GLN A 5 0.245 -12.417 -13.694 1.00 0.00 N ATOM 0 H GLN A 5 0.315 -8.696 -9.420 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.014 -8.859 -12.287 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.133 -11.319 -11.449 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.385 -10.999 -10.635 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.275 -11.770 -12.588 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.065 -10.105 -13.091 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.332 -12.797 -12.751 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.836 -12.775 -14.445 1.00 0.00 H new ATOM 47 N PHE A 6 -1.798 -7.267 -11.447 1.00 0.00 N ATOM 48 CA PHE A 6 -2.884 -6.315 -11.106 1.00 0.00 C ATOM 49 C PHE A 6 -2.930 -5.918 -9.617 1.00 0.00 C ATOM 50 O PHE A 6 -3.667 -6.475 -8.803 1.00 0.00 O ATOM 51 CB PHE A 6 -4.252 -6.847 -11.560 1.00 0.00 C ATOM 52 CG PHE A 6 -4.840 -6.057 -12.731 1.00 0.00 C ATOM 53 CD1 PHE A 6 -5.462 -4.834 -12.501 1.00 0.00 C ATOM 54 CD2 PHE A 6 -4.792 -6.580 -14.018 1.00 0.00 C ATOM 55 CE1 PHE A 6 -6.040 -4.139 -13.556 1.00 0.00 C ATOM 56 CE2 PHE A 6 -5.366 -5.882 -15.075 1.00 0.00 C ATOM 57 CZ PHE A 6 -5.993 -4.663 -14.842 1.00 0.00 C ATOM 0 H PHE A 6 -1.207 -6.940 -12.211 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.649 -5.404 -11.656 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.152 -7.893 -11.848 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.946 -6.813 -10.720 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -5.496 -4.425 -11.502 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -4.309 -7.529 -14.197 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -6.526 -3.191 -13.377 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -5.325 -6.286 -16.076 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.444 -4.123 -15.661 1.00 0.00 H new ATOM 64 N GLU A 7 -2.175 -4.878 -9.282 1.00 0.00 N ATOM 65 CA GLU A 7 -2.130 -4.381 -7.892 1.00 0.00 C ATOM 66 C GLU A 7 -2.758 -2.987 -7.768 1.00 0.00 C ATOM 67 O GLU A 7 -2.096 -1.965 -7.926 1.00 0.00 O ATOM 68 CB GLU A 7 -0.696 -4.439 -7.358 1.00 0.00 C ATOM 69 CG GLU A 7 -0.489 -5.588 -6.365 1.00 0.00 C ATOM 70 CD GLU A 7 -0.676 -6.998 -6.942 1.00 0.00 C ATOM 71 OE1 GLU A 7 -0.062 -7.288 -7.999 1.00 0.00 O ATOM 72 OE2 GLU A 7 -1.260 -7.818 -6.204 1.00 0.00 O ATOM 0 H GLU A 7 -1.589 -4.361 -9.937 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.737 -5.035 -7.266 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.005 -4.555 -8.193 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.454 -3.494 -6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.517 -5.513 -5.953 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -1.184 -5.458 -5.535 1.00 0.00 H new ATOM 74 N LEU A 8 -4.056 -2.997 -7.484 1.00 0.00 N ATOM 75 CA LEU A 8 -4.877 -1.773 -7.453 1.00 0.00 C ATOM 76 C LEU A 8 -5.324 -1.451 -6.017 1.00 0.00 C ATOM 77 O LEU A 8 -6.089 -2.189 -5.397 1.00 0.00 O ATOM 78 CB LEU A 8 -6.078 -1.968 -8.388 1.00 0.00 C ATOM 79 CG LEU A 8 -6.473 -0.698 -9.155 1.00 0.00 C ATOM 80 CD1 LEU A 8 -7.408 -1.083 -10.302 1.00 0.00 C ATOM 81 CD2 LEU A 8 -7.164 0.339 -8.261 1.00 0.00 C ATOM 0 H LEU A 8 -4.576 -3.848 -7.268 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.290 -0.922 -7.798 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.846 -2.757 -9.103 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.932 -2.309 -7.803 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.559 -0.240 -9.533 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.695 -0.188 -10.854 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.896 -1.774 -10.972 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.300 -1.562 -9.899 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.422 1.217 -8.854 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.071 -0.092 -7.838 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.491 0.631 -7.455 1.00 0.00 H new ATOM 83 N PHE A 9 -4.761 -0.365 -5.503 1.00 0.00 N ATOM 84 CA PHE A 9 -5.000 0.085 -4.114 1.00 0.00 C ATOM 85 C PHE A 9 -5.606 1.500 -4.047 1.00 0.00 C ATOM 86 O PHE A 9 -5.279 2.372 -4.850 1.00 0.00 O ATOM 87 CB PHE A 9 -3.677 0.024 -3.336 1.00 0.00 C ATOM 88 CG PHE A 9 -3.012 -1.361 -3.349 1.00 0.00 C ATOM 89 CD1 PHE A 9 -3.406 -2.328 -2.432 1.00 0.00 C ATOM 90 CD2 PHE A 9 -1.888 -1.584 -4.136 1.00 0.00 C ATOM 91 CE1 PHE A 9 -2.645 -3.476 -2.248 1.00 0.00 C ATOM 92 CE2 PHE A 9 -1.145 -2.747 -3.972 1.00 0.00 C ATOM 93 CZ PHE A 9 -1.509 -3.687 -3.018 1.00 0.00 C ATOM 0 H PHE A 9 -4.125 0.236 -6.026 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.733 -0.583 -3.662 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.985 0.753 -3.758 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.860 0.319 -2.303 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.310 -2.186 -1.858 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.592 -0.854 -4.875 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.937 -4.204 -1.506 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.278 -2.921 -4.592 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.913 -4.576 -2.876 1.00 0.00 H new ATOM 100 N SER A 10 -6.533 1.701 -3.111 1.00 0.00 N ATOM 101 CA SER A 10 -7.181 3.015 -2.876 1.00 0.00 C ATOM 102 C SER A 10 -7.071 3.494 -1.421 1.00 0.00 C ATOM 103 O SER A 10 -7.389 2.746 -0.497 1.00 0.00 O ATOM 104 CB SER A 10 -8.658 2.988 -3.306 1.00 0.00 C ATOM 105 OG SER A 10 -9.424 1.966 -2.648 1.00 0.00 O ATOM 0 H SER A 10 -6.864 0.965 -2.488 1.00 0.00 H new ATOM 0 HA SER A 10 -6.635 3.730 -3.492 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.107 3.959 -3.098 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.712 2.836 -4.384 1.00 0.00 H new ATOM 0 HG SER A 10 -9.077 1.829 -1.742 1.00 0.00 H new ATOM 108 N ILE A 11 -6.540 4.703 -1.222 1.00 0.00 N ATOM 109 CA ILE A 11 -6.480 5.308 0.130 1.00 0.00 C ATOM 110 C ILE A 11 -7.840 5.886 0.556 1.00 0.00 C ATOM 111 O ILE A 11 -8.458 6.638 -0.191 1.00 0.00 O ATOM 112 CB ILE A 11 -5.339 6.344 0.282 1.00 0.00 C ATOM 113 CG1 ILE A 11 -4.899 6.529 1.739 1.00 0.00 C ATOM 114 CG2 ILE A 11 -5.605 7.717 -0.340 1.00 0.00 C ATOM 115 CD1 ILE A 11 -3.992 5.392 2.221 1.00 0.00 C ATOM 0 H ILE A 11 -6.148 5.284 -1.963 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.240 4.495 0.815 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.532 5.893 -0.295 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.373 7.478 1.840 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.780 6.584 2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.743 8.364 -0.176 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.776 7.605 -1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.486 8.162 0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.707 5.569 3.258 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.526 4.445 2.148 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.097 5.353 1.601 1.00 0.00 H new ATOM 117 N ASP A 12 -8.053 5.783 1.863 1.00 0.00 N ATOM 118 CA ASP A 12 -9.239 6.303 2.574 1.00 0.00 C ATOM 119 C ASP A 12 -9.502 7.820 2.472 1.00 0.00 C ATOM 120 O ASP A 12 -10.570 8.278 2.859 1.00 0.00 O ATOM 121 CB ASP A 12 -9.109 5.892 4.043 1.00 0.00 C ATOM 122 CG ASP A 12 -10.445 5.571 4.726 1.00 0.00 C ATOM 123 OD1 ASP A 12 -11.440 5.328 4.014 1.00 0.00 O ATOM 124 OD2 ASP A 12 -10.401 5.544 5.976 1.00 0.00 O ATOM 0 H ASP A 12 -7.390 5.322 2.486 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.105 5.865 2.077 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.461 5.018 4.108 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.617 6.695 4.591 1.00 0.00 H new ATOM 126 N LYS A 13 -8.469 8.571 2.083 1.00 0.00 N ATOM 127 CA LYS A 13 -8.350 10.047 2.206 1.00 0.00 C ATOM 128 C LYS A 13 -8.618 10.627 3.614 1.00 0.00 C ATOM 129 O LYS A 13 -8.522 11.833 3.819 1.00 0.00 O ATOM 130 CB LYS A 13 -9.223 10.781 1.184 1.00 0.00 C ATOM 131 CG LYS A 13 -8.450 11.957 0.579 1.00 0.00 C ATOM 132 CD LYS A 13 -9.362 12.921 -0.183 1.00 0.00 C ATOM 133 CE LYS A 13 -8.582 13.872 -1.098 1.00 0.00 C ATOM 134 NZ LYS A 13 -7.608 14.707 -0.377 1.00 0.00 N ATOM 0 H LYS A 13 -7.644 8.156 1.650 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.295 10.225 2.000 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.530 10.093 0.396 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.133 11.142 1.664 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.936 12.498 1.373 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.683 11.576 -0.095 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.071 12.348 -0.780 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.944 13.505 0.530 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.059 13.288 -1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.286 14.518 -1.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.139 15.350 -1.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.100 15.264 0.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.896 14.098 0.075 1.00 0.00 H new ATOM 139 N PHE A 14 -8.624 9.730 4.596 1.00 0.00 N ATOM 140 CA PHE A 14 -8.830 10.017 6.030 1.00 0.00 C ATOM 141 C PHE A 14 -7.760 10.941 6.652 1.00 0.00 C ATOM 142 O PHE A 14 -8.014 11.595 7.656 1.00 0.00 O ATOM 143 CB PHE A 14 -8.852 8.669 6.757 1.00 0.00 C ATOM 144 CG PHE A 14 -9.512 8.758 8.132 1.00 0.00 C ATOM 145 CD1 PHE A 14 -8.753 9.057 9.259 1.00 0.00 C ATOM 146 CD2 PHE A 14 -10.893 8.641 8.232 1.00 0.00 C ATOM 147 CE1 PHE A 14 -9.382 9.252 10.482 1.00 0.00 C ATOM 148 CE2 PHE A 14 -11.520 8.839 9.454 1.00 0.00 C ATOM 149 CZ PHE A 14 -10.764 9.146 10.581 1.00 0.00 C ATOM 0 H PHE A 14 -8.480 8.736 4.416 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.767 10.563 6.137 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.386 7.940 6.148 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.831 8.304 6.870 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.679 9.137 9.183 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -11.479 8.396 7.358 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.796 9.487 11.358 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -12.594 8.755 9.530 1.00 0.00 H new ATOM 0 HZ PHE A 14 -11.251 9.302 11.532 1.00 0.00 H new ATOM 156 N LYS A 15 -6.622 11.035 5.961 1.00 0.00 N ATOM 157 CA LYS A 15 -5.365 11.666 6.417 1.00 0.00 C ATOM 158 C LYS A 15 -4.926 11.082 7.771 1.00 0.00 C ATOM 159 O LYS A 15 -5.331 11.517 8.846 1.00 0.00 O ATOM 160 CB LYS A 15 -5.500 13.201 6.430 1.00 0.00 C ATOM 161 CG LYS A 15 -4.170 13.954 6.254 1.00 0.00 C ATOM 162 CD LYS A 15 -3.171 13.797 7.409 1.00 0.00 C ATOM 163 CE LYS A 15 -3.646 14.485 8.692 1.00 0.00 C ATOM 164 NZ LYS A 15 -2.904 13.982 9.854 1.00 0.00 N ATOM 0 H LYS A 15 -6.540 10.655 5.018 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.569 11.434 5.709 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.182 13.501 5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.955 13.506 7.372 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.695 13.610 5.335 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.386 15.014 6.123 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.012 12.737 7.606 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.209 14.214 7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.509 15.563 8.605 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.713 14.310 8.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.252 14.448 10.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.042 12.954 9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.891 14.187 9.734 1.00 0.00 H new ATOM 169 N CYS A 16 -4.097 10.046 7.665 1.00 0.00 N ATOM 170 CA CYS A 16 -3.563 9.314 8.834 1.00 0.00 C ATOM 171 C CYS A 16 -2.770 10.210 9.809 1.00 0.00 C ATOM 172 O CYS A 16 -3.225 10.429 10.927 1.00 0.00 O ATOM 173 CB CYS A 16 -2.730 8.120 8.365 1.00 0.00 C ATOM 174 SG CYS A 16 -3.609 6.757 7.512 1.00 0.00 S ATOM 0 H CYS A 16 -3.770 9.682 6.770 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.418 8.952 9.405 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.956 8.493 7.694 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.223 7.701 9.235 1.00 0.00 H new ATOM 176 N ASN A 17 -1.594 10.687 9.380 1.00 0.00 N ATOM 177 CA ASN A 17 -0.707 11.601 10.146 1.00 0.00 C ATOM 178 C ASN A 17 0.554 11.944 9.320 1.00 0.00 C ATOM 179 O ASN A 17 0.439 12.650 8.325 1.00 0.00 O ATOM 180 CB ASN A 17 -0.348 11.042 11.537 1.00 0.00 C ATOM 181 CG ASN A 17 -0.180 12.125 12.606 1.00 0.00 C ATOM 182 OD1 ASN A 17 -0.999 12.290 13.495 1.00 0.00 O ATOM 183 ND2 ASN A 17 0.920 12.847 12.605 1.00 0.00 N ATOM 0 H ASN A 17 -1.214 10.446 8.465 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.259 12.524 10.326 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.127 10.348 11.853 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.577 10.470 11.462 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.080 13.534 13.342 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.613 12.719 11.868 1.00 0.00 H new ATOM 187 N SER A 18 1.690 11.296 9.606 1.00 0.00 N ATOM 188 CA SER A 18 2.985 11.521 8.914 1.00 0.00 C ATOM 189 C SER A 18 2.958 11.219 7.402 1.00 0.00 C ATOM 190 O SER A 18 3.550 11.938 6.600 1.00 0.00 O ATOM 191 CB SER A 18 4.084 10.700 9.605 1.00 0.00 C ATOM 192 OG SER A 18 5.343 10.780 8.929 1.00 0.00 O ATOM 0 H SER A 18 1.746 10.586 10.336 1.00 0.00 H new ATOM 0 HA SER A 18 3.195 12.588 8.992 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.204 11.052 10.630 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.772 9.657 9.660 1.00 0.00 H new ATOM 0 HG SER A 18 5.962 10.123 9.311 1.00 0.00 H new ATOM 195 N GLU A 19 2.286 10.128 7.035 1.00 0.00 N ATOM 196 CA GLU A 19 2.113 9.746 5.620 1.00 0.00 C ATOM 197 C GLU A 19 1.270 10.778 4.852 1.00 0.00 C ATOM 198 O GLU A 19 0.145 11.091 5.239 1.00 0.00 O ATOM 199 CB GLU A 19 1.556 8.318 5.503 1.00 0.00 C ATOM 200 CG GLU A 19 0.068 8.108 5.820 1.00 0.00 C ATOM 201 CD GLU A 19 -0.924 8.484 4.708 1.00 0.00 C ATOM 202 OE1 GLU A 19 -0.518 8.482 3.523 1.00 0.00 O ATOM 203 OE2 GLU A 19 -2.093 8.737 5.081 1.00 0.00 O ATOM 0 H GLU A 19 1.848 9.486 7.696 1.00 0.00 H new ATOM 0 HA GLU A 19 3.094 9.745 5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.735 7.969 4.486 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.135 7.676 6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.083 7.059 6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.178 8.689 6.709 1.00 0.00 H new ATOM 205 N ALA A 20 1.890 11.285 3.792 1.00 0.00 N ATOM 206 CA ALA A 20 1.324 12.271 2.847 1.00 0.00 C ATOM 207 C ALA A 20 2.302 12.485 1.678 1.00 0.00 C ATOM 208 O ALA A 20 2.254 11.712 0.727 1.00 0.00 O ATOM 209 CB ALA A 20 0.953 13.601 3.531 1.00 0.00 C ATOM 0 H ALA A 20 2.843 11.015 3.548 1.00 0.00 H new ATOM 0 HA ALA A 20 0.389 11.868 2.458 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.542 14.288 2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.210 13.416 4.307 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.844 14.041 3.979 1.00 0.00 H new ATOM 211 N LYS A 21 3.355 13.269 1.925 1.00 0.00 N ATOM 212 CA LYS A 21 4.386 13.663 0.937 1.00 0.00 C ATOM 213 C LYS A 21 5.090 12.462 0.272 1.00 0.00 C ATOM 214 O LYS A 21 4.647 11.983 -0.770 1.00 0.00 O ATOM 215 CB LYS A 21 5.394 14.596 1.628 1.00 0.00 C ATOM 216 CG LYS A 21 4.777 15.904 2.139 1.00 0.00 C ATOM 217 CD LYS A 21 5.750 16.647 3.061 1.00 0.00 C ATOM 218 CE LYS A 21 5.853 16.021 4.459 1.00 0.00 C ATOM 219 NZ LYS A 21 4.680 16.336 5.290 1.00 0.00 N ATOM 0 H LYS A 21 3.527 13.666 2.849 1.00 0.00 H new ATOM 0 HA LYS A 21 3.890 14.185 0.119 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.848 14.068 2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.195 14.832 0.928 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.513 16.540 1.294 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.853 15.689 2.677 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.738 16.660 2.602 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.430 17.684 3.157 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.952 14.939 4.366 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.755 16.382 4.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.789 15.895 6.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.600 17.367 5.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.821 15.969 4.832 1.00 0.00 H new ATOM 224 N TYR A 22 6.109 11.922 0.947 1.00 0.00 N ATOM 225 CA TYR A 22 6.855 10.724 0.510 1.00 0.00 C ATOM 226 C TYR A 22 5.936 9.536 0.170 1.00 0.00 C ATOM 227 O TYR A 22 6.031 8.976 -0.921 1.00 0.00 O ATOM 228 CB TYR A 22 7.890 10.369 1.589 1.00 0.00 C ATOM 229 CG TYR A 22 7.300 9.741 2.867 1.00 0.00 C ATOM 230 CD1 TYR A 22 6.419 10.427 3.692 1.00 0.00 C ATOM 231 CD2 TYR A 22 7.517 8.393 3.061 1.00 0.00 C ATOM 232 CE1 TYR A 22 5.730 9.753 4.692 1.00 0.00 C ATOM 233 CE2 TYR A 22 6.816 7.705 4.041 1.00 0.00 C ATOM 234 CZ TYR A 22 5.921 8.384 4.865 1.00 0.00 C ATOM 235 OH TYR A 22 5.275 7.747 5.866 1.00 0.00 O ATOM 0 H TYR A 22 6.449 12.307 1.828 1.00 0.00 H new ATOM 0 HA TYR A 22 7.369 10.954 -0.423 1.00 0.00 H new ATOM 0 HB2 TYR A 22 8.616 9.677 1.163 1.00 0.00 H new ATOM 0 HB3 TYR A 22 8.434 11.273 1.863 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.269 11.488 3.556 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.236 7.870 2.447 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.047 10.289 5.334 1.00 0.00 H new ATOM 0 HE2 TYR A 22 6.964 6.642 4.165 1.00 0.00 H new ATOM 0 HH TYR A 22 5.499 6.793 5.845 1.00 0.00 H new ATOM 242 N TYR A 23 4.900 9.355 0.995 1.00 0.00 N ATOM 243 CA TYR A 23 3.839 8.357 0.766 1.00 0.00 C ATOM 244 C TYR A 23 3.234 8.459 -0.644 1.00 0.00 C ATOM 245 O TYR A 23 3.623 7.678 -1.508 1.00 0.00 O ATOM 246 CB TYR A 23 2.780 8.395 1.869 1.00 0.00 C ATOM 247 CG TYR A 23 2.514 6.969 2.376 1.00 0.00 C ATOM 248 CD1 TYR A 23 3.414 6.383 3.252 1.00 0.00 C ATOM 249 CD2 TYR A 23 1.401 6.260 1.954 1.00 0.00 C ATOM 250 CE1 TYR A 23 3.219 5.091 3.716 1.00 0.00 C ATOM 251 CE2 TYR A 23 1.202 4.959 2.398 1.00 0.00 C ATOM 252 CZ TYR A 23 2.114 4.374 3.271 1.00 0.00 C ATOM 253 OH TYR A 23 2.010 3.055 3.538 1.00 0.00 O ATOM 0 H TYR A 23 4.769 9.899 1.848 1.00 0.00 H new ATOM 0 HA TYR A 23 4.308 7.374 0.818 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.118 9.027 2.690 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.858 8.834 1.487 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.280 6.941 3.578 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.690 6.718 1.282 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.915 4.648 4.413 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.339 4.401 2.065 1.00 0.00 H new ATOM 0 HH TYR A 23 2.886 2.705 3.802 1.00 0.00 H new ATOM 260 N LEU A 24 2.528 9.550 -0.940 1.00 0.00 N ATOM 261 CA LEU A 24 1.938 9.767 -2.274 1.00 0.00 C ATOM 262 C LEU A 24 2.978 9.783 -3.413 1.00 0.00 C ATOM 263 O LEU A 24 2.792 9.083 -4.399 1.00 0.00 O ATOM 264 CB LEU A 24 0.982 10.977 -2.241 1.00 0.00 C ATOM 265 CG LEU A 24 1.263 12.151 -3.189 1.00 0.00 C ATOM 266 CD1 LEU A 24 -0.044 12.888 -3.484 1.00 0.00 C ATOM 267 CD2 LEU A 24 2.251 13.139 -2.564 1.00 0.00 C ATOM 0 H LEU A 24 2.347 10.303 -0.276 1.00 0.00 H new ATOM 0 HA LEU A 24 1.329 8.899 -2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.023 10.612 -2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.973 11.366 -1.223 1.00 0.00 H new ATOM 0 HG LEU A 24 1.695 11.752 -4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.153 13.722 -4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.750 12.203 -3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.467 13.265 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.432 13.960 -3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.835 13.532 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.191 12.629 -2.353 1.00 0.00 H new ATOM 269 N ASN A 25 4.161 10.337 -3.146 1.00 0.00 N ATOM 270 CA ASN A 25 5.267 10.381 -4.125 1.00 0.00 C ATOM 271 C ASN A 25 5.765 9.012 -4.630 1.00 0.00 C ATOM 272 O ASN A 25 6.372 8.934 -5.696 1.00 0.00 O ATOM 273 CB ASN A 25 6.428 11.183 -3.529 1.00 0.00 C ATOM 274 CG ASN A 25 6.741 12.465 -4.309 1.00 0.00 C ATOM 275 OD1 ASN A 25 5.740 13.106 -4.876 1.00 0.00 O flip ATOM 276 ND2 ASN A 25 7.875 12.902 -4.409 1.00 0.00 N flip ATOM 0 H ASN A 25 4.387 10.769 -2.250 1.00 0.00 H new ATOM 0 HA ASN A 25 4.859 10.864 -5.013 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.190 11.442 -2.497 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.319 10.555 -3.502 1.00 0.00 H new ATOM 0 HD21 ASN A 25 8.652 12.408 -3.971 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.046 13.762 -4.931 1.00 0.00 H new ATOM 280 N ILE A 26 5.604 7.980 -3.803 1.00 0.00 N ATOM 281 CA ILE A 26 6.037 6.611 -4.149 1.00 0.00 C ATOM 282 C ILE A 26 4.864 5.607 -4.281 1.00 0.00 C ATOM 283 O ILE A 26 4.867 4.808 -5.211 1.00 0.00 O ATOM 284 CB ILE A 26 7.201 6.209 -3.209 1.00 0.00 C ATOM 285 CG1 ILE A 26 8.459 7.038 -3.485 1.00 0.00 C ATOM 286 CG2 ILE A 26 7.614 4.739 -3.245 1.00 0.00 C ATOM 287 CD1 ILE A 26 8.554 8.299 -2.623 1.00 0.00 C ATOM 0 H ILE A 26 5.175 8.059 -2.881 1.00 0.00 H new ATOM 0 HA ILE A 26 6.438 6.585 -5.162 1.00 0.00 H new ATOM 0 HB ILE A 26 6.786 6.406 -2.221 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.339 6.419 -3.310 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.474 7.323 -4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.436 4.575 -2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.766 4.116 -2.960 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.935 4.476 -4.253 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.468 8.840 -2.869 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.692 8.937 -2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.570 8.019 -1.570 1.00 0.00 H new ATOM 289 N ILE A 27 3.834 5.699 -3.436 1.00 0.00 N ATOM 290 CA ILE A 27 2.625 4.847 -3.565 1.00 0.00 C ATOM 291 C ILE A 27 1.639 5.314 -4.665 1.00 0.00 C ATOM 292 O ILE A 27 1.063 4.488 -5.372 1.00 0.00 O ATOM 293 CB ILE A 27 1.924 4.611 -2.207 1.00 0.00 C ATOM 294 CG1 ILE A 27 0.971 3.408 -2.323 1.00 0.00 C ATOM 295 CG2 ILE A 27 1.243 5.871 -1.645 1.00 0.00 C ATOM 296 CD1 ILE A 27 0.215 3.015 -1.048 1.00 0.00 C ATOM 0 H ILE A 27 3.803 6.351 -2.652 1.00 0.00 H new ATOM 0 HA ILE A 27 2.994 3.880 -3.906 1.00 0.00 H new ATOM 0 HB ILE A 27 2.689 4.372 -1.468 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.239 3.625 -3.101 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.547 2.546 -2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.771 5.635 -0.691 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.989 6.652 -1.497 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.486 6.220 -2.348 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.424 2.156 -1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.929 2.757 -0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.399 3.852 -0.716 1.00 0.00 H new ATOM 298 N GLU A 28 1.475 6.630 -4.810 1.00 0.00 N ATOM 299 CA GLU A 28 0.492 7.213 -5.742 1.00 0.00 C ATOM 300 C GLU A 28 1.110 7.346 -7.139 1.00 0.00 C ATOM 301 O GLU A 28 2.007 8.147 -7.386 1.00 0.00 O ATOM 302 CB GLU A 28 -0.072 8.540 -5.227 1.00 0.00 C ATOM 303 CG GLU A 28 -1.601 8.587 -5.338 1.00 0.00 C ATOM 304 CD GLU A 28 -2.201 8.836 -6.729 1.00 0.00 C ATOM 305 OE1 GLU A 28 -1.456 8.798 -7.734 1.00 0.00 O ATOM 306 OE2 GLU A 28 -3.414 9.145 -6.742 1.00 0.00 O ATOM 0 H GLU A 28 2.014 7.323 -4.291 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.359 6.536 -5.812 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.222 8.681 -4.187 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.360 9.364 -5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.995 7.641 -4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.963 9.368 -4.670 1.00 0.00 H new ATOM 308 N GLY A 29 0.690 6.368 -7.930 1.00 0.00 N ATOM 309 CA GLY A 29 1.189 6.124 -9.295 1.00 0.00 C ATOM 310 C GLY A 29 1.320 4.611 -9.528 1.00 0.00 C ATOM 311 O GLY A 29 0.864 3.804 -8.719 1.00 0.00 O ATOM 0 H GLY A 29 -0.025 5.700 -7.642 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.507 6.558 -10.026 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.155 6.609 -9.433 1.00 0.00 H new ATOM 313 N GLU A 30 2.005 4.289 -10.614 1.00 0.00 N ATOM 314 CA GLU A 30 2.098 2.901 -11.122 1.00 0.00 C ATOM 315 C GLU A 30 3.535 2.402 -11.319 1.00 0.00 C ATOM 316 O GLU A 30 4.354 3.004 -12.009 1.00 0.00 O ATOM 317 CB GLU A 30 1.231 2.717 -12.370 1.00 0.00 C ATOM 318 CG GLU A 30 1.513 3.713 -13.503 1.00 0.00 C ATOM 319 CD GLU A 30 0.271 3.997 -14.352 1.00 0.00 C ATOM 320 OE1 GLU A 30 -0.492 3.043 -14.635 1.00 0.00 O ATOM 321 OE2 GLU A 30 0.085 5.191 -14.663 1.00 0.00 O ATOM 0 H GLU A 30 2.516 4.969 -11.177 1.00 0.00 H new ATOM 0 HA GLU A 30 1.696 2.259 -10.338 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.376 1.706 -12.750 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.183 2.802 -12.083 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.881 4.647 -13.079 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.304 3.319 -14.141 1.00 0.00 H new ATOM 323 N TRP A 31 3.773 1.272 -10.676 1.00 0.00 N ATOM 324 CA TRP A 31 5.100 0.639 -10.582 1.00 0.00 C ATOM 325 C TRP A 31 5.427 -0.245 -11.786 1.00 0.00 C ATOM 326 O TRP A 31 4.779 -1.258 -12.040 1.00 0.00 O ATOM 327 CB TRP A 31 5.231 -0.117 -9.263 1.00 0.00 C ATOM 328 CG TRP A 31 5.200 0.853 -8.073 1.00 0.00 C ATOM 329 CD1 TRP A 31 4.215 1.672 -7.716 1.00 0.00 C ATOM 330 CD2 TRP A 31 6.174 0.935 -7.094 1.00 0.00 C ATOM 331 NE1 TRP A 31 4.492 2.238 -6.553 1.00 0.00 N ATOM 332 CE2 TRP A 31 5.681 1.815 -6.148 1.00 0.00 C ATOM 333 CE3 TRP A 31 7.473 0.447 -6.993 1.00 0.00 C ATOM 334 CZ2 TRP A 31 6.483 2.218 -5.095 1.00 0.00 C ATOM 335 CZ3 TRP A 31 8.284 0.869 -5.947 1.00 0.00 C ATOM 336 CH2 TRP A 31 7.792 1.773 -5.022 1.00 0.00 C ATOM 0 H TRP A 31 3.043 0.750 -10.192 1.00 0.00 H new ATOM 0 HA TRP A 31 5.844 1.436 -10.598 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.420 -0.839 -9.170 1.00 0.00 H new ATOM 0 HB3 TRP A 31 6.163 -0.682 -9.253 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.319 1.849 -8.292 1.00 0.00 H new ATOM 0 HE1 TRP A 31 3.891 2.891 -6.051 1.00 0.00 H new ATOM 0 HE3 TRP A 31 7.848 -0.255 -7.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 6.090 2.876 -4.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 9.293 0.494 -5.856 1.00 0.00 H new ATOM 0 HH2 TRP A 31 8.436 2.135 -4.235 1.00 0.00 H new ATOM 344 N HIS A 32 6.379 0.305 -12.535 1.00 0.00 N ATOM 345 CA HIS A 32 6.954 -0.202 -13.803 1.00 0.00 C ATOM 346 C HIS A 32 5.977 0.068 -14.966 1.00 0.00 C ATOM 347 O HIS A 32 4.847 -0.420 -14.927 1.00 0.00 O ATOM 348 CB HIS A 32 7.273 -1.709 -13.831 1.00 0.00 C ATOM 349 CG HIS A 32 7.949 -2.350 -12.617 1.00 0.00 C ATOM 350 ND1 HIS A 32 7.793 -3.626 -12.287 1.00 0.00 N ATOM 351 CD2 HIS A 32 8.756 -1.798 -11.714 1.00 0.00 C ATOM 352 CE1 HIS A 32 8.482 -3.867 -11.175 1.00 0.00 C ATOM 353 NE2 HIS A 32 9.079 -2.734 -10.827 1.00 0.00 N ATOM 0 H HIS A 32 6.811 1.187 -12.260 1.00 0.00 H new ATOM 0 HA HIS A 32 7.899 0.333 -13.900 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.337 -2.240 -14.004 1.00 0.00 H new ATOM 0 HB3 HIS A 32 7.909 -1.894 -14.697 1.00 0.00 H new ATOM 0 HD2 HIS A 32 9.090 -0.771 -11.704 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.544 -4.810 -10.652 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.684 -2.603 -10.016 1.00 0.00 H new ATOM 356 N PRO A 33 6.458 0.677 -16.062 1.00 0.00 N ATOM 357 CA PRO A 33 5.601 1.060 -17.204 1.00 0.00 C ATOM 358 C PRO A 33 4.832 -0.121 -17.827 1.00 0.00 C ATOM 359 O PRO A 33 3.618 -0.034 -18.007 1.00 0.00 O ATOM 360 CB PRO A 33 6.542 1.753 -18.193 1.00 0.00 C ATOM 361 CG PRO A 33 7.916 1.162 -17.872 1.00 0.00 C ATOM 362 CD PRO A 33 7.875 0.968 -16.356 1.00 0.00 C ATOM 0 HA PRO A 33 4.797 1.722 -16.883 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.253 1.554 -19.225 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.532 2.835 -18.062 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.079 0.219 -18.393 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.721 1.834 -18.169 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.522 0.149 -16.042 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.214 1.861 -15.832 1.00 0.00 H new ATOM 363 N GLN A 34 5.542 -1.216 -18.109 1.00 0.00 N ATOM 364 CA GLN A 34 4.920 -2.461 -18.609 1.00 0.00 C ATOM 365 C GLN A 34 5.815 -3.705 -18.421 1.00 0.00 C ATOM 366 O GLN A 34 6.004 -4.514 -19.326 1.00 0.00 O ATOM 367 CB GLN A 34 4.528 -2.252 -20.079 1.00 0.00 C ATOM 368 CG GLN A 34 3.238 -3.012 -20.386 1.00 0.00 C ATOM 369 CD GLN A 34 2.219 -2.119 -21.098 1.00 0.00 C ATOM 370 OE1 GLN A 34 1.916 -2.278 -22.270 1.00 0.00 O ATOM 371 NE2 GLN A 34 1.645 -1.178 -20.381 1.00 0.00 N ATOM 0 H GLN A 34 6.555 -1.273 -18.001 1.00 0.00 H new ATOM 0 HA GLN A 34 4.030 -2.667 -18.015 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.391 -1.190 -20.281 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.329 -2.600 -20.731 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.463 -3.877 -21.009 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.807 -3.390 -19.459 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.905 -1.053 -19.403 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.940 -0.574 -20.803 1.00 0.00 H new ATOM 375 N ASP A 35 6.230 -3.931 -17.174 1.00 0.00 N ATOM 376 CA ASP A 35 7.124 -5.067 -16.850 1.00 0.00 C ATOM 377 C ASP A 35 6.439 -6.218 -16.082 1.00 0.00 C ATOM 378 O ASP A 35 7.074 -7.229 -15.792 1.00 0.00 O ATOM 379 CB ASP A 35 8.341 -4.524 -16.088 1.00 0.00 C ATOM 380 CG ASP A 35 9.487 -5.534 -15.954 1.00 0.00 C ATOM 381 OD1 ASP A 35 10.167 -5.745 -16.981 1.00 0.00 O ATOM 382 OD2 ASP A 35 9.758 -5.937 -14.802 1.00 0.00 O ATOM 0 H ASP A 35 5.971 -3.355 -16.373 1.00 0.00 H new ATOM 0 HA ASP A 35 7.433 -5.522 -17.791 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.711 -3.635 -16.598 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.025 -4.212 -15.092 1.00 0.00 H new ATOM 384 N LEU A 36 5.122 -6.113 -15.914 1.00 0.00 N ATOM 385 CA LEU A 36 4.308 -7.081 -15.148 1.00 0.00 C ATOM 386 C LEU A 36 2.975 -7.335 -15.876 1.00 0.00 C ATOM 387 O LEU A 36 1.934 -6.796 -15.503 1.00 0.00 O ATOM 388 CB LEU A 36 4.034 -6.623 -13.695 1.00 0.00 C ATOM 389 CG LEU A 36 4.834 -5.435 -13.134 1.00 0.00 C ATOM 390 CD1 LEU A 36 4.312 -4.097 -13.670 1.00 0.00 C ATOM 391 CD2 LEU A 36 4.769 -5.436 -11.609 1.00 0.00 C ATOM 0 H LEU A 36 4.575 -5.347 -16.307 1.00 0.00 H new ATOM 0 HA LEU A 36 4.886 -8.003 -15.087 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.975 -6.374 -13.621 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.207 -7.477 -13.040 1.00 0.00 H new ATOM 0 HG LEU A 36 5.868 -5.549 -13.460 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.902 -3.282 -13.251 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.394 -4.083 -14.757 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.268 -3.973 -13.384 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.338 -4.592 -11.220 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.730 -5.352 -11.289 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.192 -6.365 -11.227 1.00 0.00 H new ATOM 393 N ASN A 37 3.094 -7.922 -17.070 1.00 0.00 N ATOM 394 CA ASN A 37 1.966 -8.257 -17.975 1.00 0.00 C ATOM 395 C ASN A 37 0.872 -7.162 -18.041 1.00 0.00 C ATOM 396 O ASN A 37 -0.252 -7.336 -17.575 1.00 0.00 O ATOM 397 CB ASN A 37 1.415 -9.630 -17.551 1.00 0.00 C ATOM 398 CG ASN A 37 0.358 -10.189 -18.508 1.00 0.00 C ATOM 399 OD1 ASN A 37 0.430 -10.064 -19.722 1.00 0.00 O ATOM 400 ND2 ASN A 37 -0.626 -10.859 -17.954 1.00 0.00 N ATOM 0 H ASN A 37 4.000 -8.189 -17.455 1.00 0.00 H new ATOM 0 HA ASN A 37 2.336 -8.306 -18.999 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.241 -10.338 -17.482 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.982 -9.546 -16.554 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.345 -11.285 -18.538 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.671 -10.954 -16.939 1.00 0.00 H new ATOM 404 N ASP A 38 1.313 -5.963 -18.430 1.00 0.00 N ATOM 405 CA ASP A 38 0.521 -4.706 -18.452 1.00 0.00 C ATOM 406 C ASP A 38 -0.354 -4.356 -17.221 1.00 0.00 C ATOM 407 O ASP A 38 -1.222 -3.493 -17.310 1.00 0.00 O ATOM 408 CB ASP A 38 -0.277 -4.592 -19.765 1.00 0.00 C ATOM 409 CG ASP A 38 -1.269 -5.735 -20.014 1.00 0.00 C ATOM 410 OD1 ASP A 38 -2.425 -5.602 -19.562 1.00 0.00 O ATOM 411 OD2 ASP A 38 -0.844 -6.702 -20.685 1.00 0.00 O ATOM 0 H ASP A 38 2.270 -5.823 -18.754 1.00 0.00 H new ATOM 0 HA ASP A 38 1.293 -3.939 -18.391 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.824 -3.649 -19.761 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.425 -4.550 -20.598 1.00 0.00 H new ATOM 413 N SER A 39 0.009 -4.881 -16.048 1.00 0.00 N ATOM 414 CA SER A 39 -0.784 -4.714 -14.809 1.00 0.00 C ATOM 415 C SER A 39 0.022 -4.239 -13.570 1.00 0.00 C ATOM 416 O SER A 39 0.184 -4.980 -12.594 1.00 0.00 O ATOM 417 CB SER A 39 -1.560 -6.015 -14.549 1.00 0.00 C ATOM 418 OG SER A 39 -0.707 -7.129 -14.255 1.00 0.00 O ATOM 0 H SER A 39 0.857 -5.434 -15.922 1.00 0.00 H new ATOM 0 HA SER A 39 -1.478 -3.890 -14.973 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.247 -5.861 -13.717 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.167 -6.250 -15.424 1.00 0.00 H new ATOM 0 HG SER A 39 0.170 -6.988 -14.669 1.00 0.00 H new ATOM 421 N PRO A 40 0.466 -2.970 -13.560 1.00 0.00 N ATOM 422 CA PRO A 40 1.299 -2.404 -12.478 1.00 0.00 C ATOM 423 C PRO A 40 0.635 -2.354 -11.094 1.00 0.00 C ATOM 424 O PRO A 40 -0.546 -2.649 -10.907 1.00 0.00 O ATOM 425 CB PRO A 40 1.635 -0.983 -12.935 1.00 0.00 C ATOM 426 CG PRO A 40 1.578 -1.076 -14.455 1.00 0.00 C ATOM 427 CD PRO A 40 0.386 -2.005 -14.677 1.00 0.00 C ATOM 0 HA PRO A 40 2.165 -3.049 -12.333 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.918 -0.257 -12.550 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.621 -0.672 -12.588 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.426 -0.101 -14.917 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.497 -1.486 -14.873 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.555 -1.456 -14.662 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.447 -2.507 -15.642 1.00 0.00 H new ATOM 428 N LEU A 41 1.508 -2.149 -10.112 1.00 0.00 N ATOM 429 CA LEU A 41 1.133 -1.700 -8.757 1.00 0.00 C ATOM 430 C LEU A 41 0.764 -0.207 -8.817 1.00 0.00 C ATOM 431 O LEU A 41 1.628 0.629 -9.055 1.00 0.00 O ATOM 432 CB LEU A 41 2.298 -2.040 -7.808 1.00 0.00 C ATOM 433 CG LEU A 41 2.579 -1.144 -6.587 1.00 0.00 C ATOM 434 CD1 LEU A 41 1.396 -0.989 -5.632 1.00 0.00 C ATOM 435 CD2 LEU A 41 3.774 -1.719 -5.823 1.00 0.00 C ATOM 0 H LEU A 41 2.512 -2.289 -10.227 1.00 0.00 H new ATOM 0 HA LEU A 41 0.252 -2.209 -8.367 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.130 -3.051 -7.437 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.208 -2.067 -8.407 1.00 0.00 H new ATOM 0 HG LEU A 41 2.784 -0.146 -6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.681 -0.343 -4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.554 -0.546 -6.164 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.108 -1.968 -5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.985 -1.095 -4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.542 -2.732 -5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.647 -1.740 -6.476 1.00 0.00 H new ATOM 437 N LYS A 42 -0.537 0.052 -8.873 1.00 0.00 N ATOM 438 CA LYS A 42 -1.069 1.426 -8.887 1.00 0.00 C ATOM 439 C LYS A 42 -2.042 1.670 -7.726 1.00 0.00 C ATOM 440 O LYS A 42 -2.917 0.863 -7.408 1.00 0.00 O ATOM 441 CB LYS A 42 -1.744 1.754 -10.224 1.00 0.00 C ATOM 442 CG LYS A 42 -1.903 3.276 -10.371 1.00 0.00 C ATOM 443 CD LYS A 42 -2.700 3.726 -11.599 1.00 0.00 C ATOM 444 CE LYS A 42 -4.184 3.335 -11.537 1.00 0.00 C ATOM 445 NZ LYS A 42 -4.844 3.854 -10.327 1.00 0.00 N ATOM 0 H LYS A 42 -1.255 -0.672 -8.910 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.217 2.094 -8.761 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.149 1.361 -11.048 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.720 1.271 -10.277 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.392 3.664 -9.477 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.912 3.728 -10.414 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.621 4.809 -11.698 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.254 3.290 -12.493 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.696 3.716 -12.420 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.274 2.249 -11.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.778 4.236 -10.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.959 3.084 -9.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.262 4.608 -9.910 1.00 0.00 H new ATOM 450 N PHE A 43 -1.801 2.803 -7.086 1.00 0.00 N ATOM 451 CA PHE A 43 -2.655 3.314 -6.003 1.00 0.00 C ATOM 452 C PHE A 43 -3.192 4.734 -6.266 1.00 0.00 C ATOM 453 O PHE A 43 -2.478 5.619 -6.740 1.00 0.00 O ATOM 454 CB PHE A 43 -1.853 3.175 -4.704 1.00 0.00 C ATOM 455 CG PHE A 43 -2.271 4.123 -3.582 1.00 0.00 C ATOM 456 CD1 PHE A 43 -1.740 5.402 -3.608 1.00 0.00 C ATOM 457 CD2 PHE A 43 -3.047 3.713 -2.511 1.00 0.00 C ATOM 458 CE1 PHE A 43 -1.951 6.280 -2.560 1.00 0.00 C ATOM 459 CE2 PHE A 43 -3.236 4.578 -1.444 1.00 0.00 C ATOM 460 CZ PHE A 43 -2.686 5.858 -1.467 1.00 0.00 C ATOM 0 H PHE A 43 -1.005 3.404 -7.298 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.571 2.728 -5.931 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.945 2.150 -4.346 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.799 3.342 -4.926 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.153 5.718 -4.458 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.499 2.732 -2.507 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.547 7.281 -2.595 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.813 4.258 -0.589 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.834 6.523 -0.629 1.00 0.00 H new ATOM 467 N ILE A 44 -4.421 4.919 -5.793 1.00 0.00 N ATOM 468 CA ILE A 44 -5.190 6.181 -5.880 1.00 0.00 C ATOM 469 C ILE A 44 -5.615 6.783 -4.522 1.00 0.00 C ATOM 470 O ILE A 44 -5.415 6.193 -3.458 1.00 0.00 O ATOM 471 CB ILE A 44 -6.414 6.044 -6.811 1.00 0.00 C ATOM 472 CG1 ILE A 44 -7.269 4.803 -6.504 1.00 0.00 C ATOM 473 CG2 ILE A 44 -5.965 6.159 -8.272 1.00 0.00 C ATOM 474 CD1 ILE A 44 -8.706 4.900 -7.031 1.00 0.00 C ATOM 0 H ILE A 44 -4.937 4.176 -5.321 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.484 6.891 -6.311 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.096 6.872 -6.617 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.790 3.926 -6.939 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.296 4.649 -5.425 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.831 6.062 -8.927 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.495 7.129 -8.433 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.250 5.368 -8.496 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.249 3.989 -6.777 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.203 5.757 -6.577 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.689 5.023 -8.114 1.00 0.00 H new ATOM 476 N LEU A 45 -6.408 7.848 -4.631 1.00 0.00 N ATOM 477 CA LEU A 45 -6.882 8.693 -3.518 1.00 0.00 C ATOM 478 C LEU A 45 -8.414 8.799 -3.514 1.00 0.00 C ATOM 479 O LEU A 45 -9.023 9.005 -4.566 1.00 0.00 O ATOM 480 CB LEU A 45 -6.268 10.089 -3.670 1.00 0.00 C ATOM 481 CG LEU A 45 -5.075 10.304 -2.734 1.00 0.00 C ATOM 482 CD1 LEU A 45 -3.870 10.853 -3.497 1.00 0.00 C ATOM 483 CD2 LEU A 45 -5.462 11.289 -1.630 1.00 0.00 C ATOM 0 H LEU A 45 -6.757 8.166 -5.535 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.576 8.241 -2.574 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.948 10.232 -4.702 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.029 10.842 -3.465 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.803 9.341 -2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.038 10.996 -2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.580 10.147 -4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.132 11.808 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.613 11.441 -0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.749 12.241 -2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.301 10.887 -1.062 1.00 0.00 H new ATOM 485 N SER A 46 -8.995 8.462 -2.360 1.00 0.00 N ATOM 486 CA SER A 46 -10.447 8.559 -2.073 1.00 0.00 C ATOM 487 C SER A 46 -11.305 7.828 -3.125 1.00 0.00 C ATOM 488 O SER A 46 -10.910 6.766 -3.615 1.00 0.00 O ATOM 489 CB SER A 46 -10.875 10.022 -1.835 1.00 0.00 C ATOM 490 OG SER A 46 -10.818 10.811 -3.029 1.00 0.00 O ATOM 0 H SER A 46 -8.461 8.102 -1.569 1.00 0.00 H new ATOM 0 HA SER A 46 -10.635 8.030 -1.139 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.890 10.040 -1.439 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.230 10.467 -1.078 1.00 0.00 H new ATOM 0 HG SER A 46 -11.099 11.728 -2.829 1.00 0.00 H new ATOM 493 N THR A 47 -12.457 8.407 -3.476 1.00 0.00 N ATOM 494 CA THR A 47 -13.371 7.934 -4.542 1.00 0.00 C ATOM 495 C THR A 47 -13.846 6.504 -4.193 1.00 0.00 C ATOM 496 O THR A 47 -13.989 6.204 -3.008 1.00 0.00 O ATOM 497 CB THR A 47 -12.649 8.080 -5.905 1.00 0.00 C ATOM 498 OG1 THR A 47 -11.958 9.337 -5.956 1.00 0.00 O ATOM 499 CG2 THR A 47 -13.624 8.067 -7.087 1.00 0.00 C ATOM 0 H THR A 47 -12.799 9.249 -3.014 1.00 0.00 H new ATOM 0 HA THR A 47 -14.279 8.532 -4.618 1.00 0.00 H new ATOM 0 HB THR A 47 -11.968 7.232 -5.985 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.070 9.239 -5.553 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.068 8.172 -8.019 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.172 7.125 -7.096 1.00 0.00 H new ATOM 0 HG23 THR A 47 -14.326 8.895 -6.988 1.00 0.00 H new ATOM 502 N SER A 48 -14.318 5.730 -5.171 1.00 0.00 N ATOM 503 CA SER A 48 -14.675 4.293 -5.032 1.00 0.00 C ATOM 504 C SER A 48 -15.463 3.952 -3.749 1.00 0.00 C ATOM 505 O SER A 48 -14.960 3.304 -2.831 1.00 0.00 O ATOM 506 CB SER A 48 -13.394 3.447 -5.136 1.00 0.00 C ATOM 507 OG SER A 48 -12.686 3.778 -6.336 1.00 0.00 O ATOM 0 H SER A 48 -14.472 6.084 -6.115 1.00 0.00 H new ATOM 0 HA SER A 48 -15.359 4.055 -5.847 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.759 3.625 -4.268 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.647 2.387 -5.134 1.00 0.00 H new ATOM 0 HG SER A 48 -11.871 3.237 -6.395 1.00 0.00 H new ATOM 510 N ASP A 49 -16.663 4.531 -3.658 1.00 0.00 N ATOM 511 CA ASP A 49 -17.578 4.423 -2.494 1.00 0.00 C ATOM 512 C ASP A 49 -16.938 4.722 -1.122 1.00 0.00 C ATOM 513 O ASP A 49 -16.990 3.920 -0.193 1.00 0.00 O ATOM 514 CB ASP A 49 -18.296 3.064 -2.505 1.00 0.00 C ATOM 515 CG ASP A 49 -19.725 3.207 -3.028 1.00 0.00 C ATOM 516 OD1 ASP A 49 -19.867 3.283 -4.269 1.00 0.00 O ATOM 517 OD2 ASP A 49 -20.629 3.354 -2.178 1.00 0.00 O ATOM 0 H ASP A 49 -17.046 5.107 -4.408 1.00 0.00 H new ATOM 0 HA ASP A 49 -18.308 5.222 -2.621 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.744 2.362 -3.130 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -18.313 2.649 -1.497 1.00 0.00 H new ATOM 519 N ASP A 50 -16.479 5.968 -0.977 1.00 0.00 N ATOM 520 CA ASP A 50 -15.748 6.463 0.215 1.00 0.00 C ATOM 521 C ASP A 50 -14.532 5.585 0.595 1.00 0.00 C ATOM 522 O ASP A 50 -14.139 5.517 1.758 1.00 0.00 O ATOM 523 CB ASP A 50 -16.725 6.674 1.390 1.00 0.00 C ATOM 524 CG ASP A 50 -16.104 7.338 2.628 1.00 0.00 C ATOM 525 OD1 ASP A 50 -15.227 8.211 2.435 1.00 0.00 O ATOM 526 OD2 ASP A 50 -16.588 7.028 3.737 1.00 0.00 O ATOM 0 H ASP A 50 -16.603 6.683 -1.694 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.317 7.431 -0.043 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.559 7.286 1.046 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -17.137 5.708 1.681 1.00 0.00 H new ATOM 528 N SER A 51 -13.813 5.164 -0.447 1.00 0.00 N ATOM 529 CA SER A 51 -12.613 4.293 -0.404 1.00 0.00 C ATOM 530 C SER A 51 -12.923 2.866 0.078 1.00 0.00 C ATOM 531 O SER A 51 -13.968 2.579 0.651 1.00 0.00 O ATOM 532 CB SER A 51 -11.491 4.861 0.474 1.00 0.00 C ATOM 533 OG SER A 51 -11.408 6.284 0.366 1.00 0.00 O ATOM 0 H SER A 51 -14.057 5.430 -1.401 1.00 0.00 H new ATOM 0 HA SER A 51 -12.276 4.257 -1.440 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.666 4.584 1.514 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.539 4.417 0.182 1.00 0.00 H new ATOM 0 HG SER A 51 -10.476 6.547 0.215 1.00 0.00 H new ATOM 536 N ASP A 52 -11.994 1.963 -0.231 1.00 0.00 N ATOM 537 CA ASP A 52 -12.094 0.542 0.177 1.00 0.00 C ATOM 538 C ASP A 52 -11.186 0.191 1.374 1.00 0.00 C ATOM 539 O ASP A 52 -11.463 -0.744 2.128 1.00 0.00 O ATOM 540 CB ASP A 52 -11.783 -0.373 -1.016 1.00 0.00 C ATOM 541 CG ASP A 52 -12.689 -0.130 -2.232 1.00 0.00 C ATOM 542 OD1 ASP A 52 -12.391 0.853 -2.953 1.00 0.00 O ATOM 543 OD2 ASP A 52 -13.497 -1.031 -2.539 1.00 0.00 O ATOM 0 H ASP A 52 -11.154 2.182 -0.766 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.120 0.380 0.507 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.744 -0.228 -1.313 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.882 -1.412 -0.702 1.00 0.00 H new ATOM 545 N TYR A 53 -10.060 0.896 1.483 1.00 0.00 N ATOM 546 CA TYR A 53 -9.100 0.760 2.594 1.00 0.00 C ATOM 547 C TYR A 53 -9.334 1.848 3.651 1.00 0.00 C ATOM 548 O TYR A 53 -9.436 3.025 3.313 1.00 0.00 O ATOM 549 CB TYR A 53 -7.688 0.940 2.030 1.00 0.00 C ATOM 550 CG TYR A 53 -6.847 -0.338 1.945 1.00 0.00 C ATOM 551 CD1 TYR A 53 -6.872 -1.279 2.962 1.00 0.00 C ATOM 552 CD2 TYR A 53 -6.083 -0.563 0.813 1.00 0.00 C ATOM 553 CE1 TYR A 53 -6.198 -2.481 2.818 1.00 0.00 C ATOM 554 CE2 TYR A 53 -5.375 -1.749 0.675 1.00 0.00 C ATOM 555 CZ TYR A 53 -5.482 -2.731 1.655 1.00 0.00 C ATOM 556 OH TYR A 53 -5.039 -3.983 1.409 1.00 0.00 O ATOM 0 H TYR A 53 -9.778 1.592 0.792 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.227 -0.219 3.056 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.766 1.371 1.032 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.157 1.664 2.649 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.419 -1.075 3.870 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.038 0.185 0.036 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.229 -3.219 3.606 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.745 -1.909 -0.188 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.556 -3.998 0.556 1.00 0.00 H new ATOM 563 N ILE A 54 -9.264 1.446 4.916 1.00 0.00 N ATOM 564 CA ILE A 54 -9.469 2.346 6.073 1.00 0.00 C ATOM 565 C ILE A 54 -8.146 2.483 6.846 1.00 0.00 C ATOM 566 O ILE A 54 -7.468 1.489 7.117 1.00 0.00 O ATOM 567 CB ILE A 54 -10.560 1.799 7.017 1.00 0.00 C ATOM 568 CG1 ILE A 54 -11.824 1.380 6.246 1.00 0.00 C ATOM 569 CG2 ILE A 54 -10.931 2.860 8.067 1.00 0.00 C ATOM 570 CD1 ILE A 54 -12.718 0.429 7.047 1.00 0.00 C ATOM 0 H ILE A 54 -9.063 0.482 5.181 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.793 3.318 5.703 1.00 0.00 H new ATOM 0 HB ILE A 54 -10.153 0.916 7.509 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -12.394 2.270 5.980 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.532 0.898 5.313 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.702 2.464 8.728 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.048 3.117 8.652 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.306 3.752 7.566 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -13.594 0.167 6.454 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.161 -0.476 7.290 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -13.036 0.918 7.968 1.00 0.00 H new ATOM 572 N CYS A 55 -7.871 3.720 7.262 1.00 0.00 N ATOM 573 CA CYS A 55 -6.652 4.053 8.025 1.00 0.00 C ATOM 574 C CYS A 55 -6.682 3.441 9.433 1.00 0.00 C ATOM 575 O CYS A 55 -7.612 3.683 10.200 1.00 0.00 O ATOM 576 CB CYS A 55 -6.410 5.568 8.115 1.00 0.00 C ATOM 577 SG CYS A 55 -4.814 5.936 8.939 1.00 0.00 S ATOM 0 H CYS A 55 -8.479 4.520 7.084 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.821 3.616 7.471 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -6.414 6.000 7.114 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -7.224 6.037 8.667 1.00 0.00 H new ATOM 579 N LYS A 56 -5.688 2.599 9.697 1.00 0.00 N ATOM 580 CA LYS A 56 -5.469 2.030 11.040 1.00 0.00 C ATOM 581 C LYS A 56 -4.565 2.954 11.873 1.00 0.00 C ATOM 582 O LYS A 56 -5.032 3.543 12.844 1.00 0.00 O ATOM 583 CB LYS A 56 -4.946 0.593 10.911 1.00 0.00 C ATOM 584 CG LYS A 56 -4.820 -0.130 12.253 1.00 0.00 C ATOM 585 CD LYS A 56 -4.534 -1.617 12.034 1.00 0.00 C ATOM 586 CE LYS A 56 -3.936 -2.303 13.267 1.00 0.00 C ATOM 587 NZ LYS A 56 -4.766 -2.178 14.475 1.00 0.00 N ATOM 0 H LYS A 56 -5.012 2.288 8.999 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.410 1.969 11.586 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.616 0.027 10.263 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.971 0.611 10.424 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.019 0.318 12.841 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.740 -0.011 12.825 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.460 -2.122 11.758 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.847 -1.729 11.195 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.787 -3.360 13.047 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.953 -1.878 13.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.309 -2.679 15.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.874 -1.173 14.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.703 -2.594 14.297 1.00 0.00 H new ATOM 592 N TYR A 57 -3.288 3.043 11.496 1.00 0.00 N ATOM 593 CA TYR A 57 -2.316 3.985 12.097 1.00 0.00 C ATOM 594 C TYR A 57 -1.014 4.062 11.282 1.00 0.00 C ATOM 595 O TYR A 57 -0.735 3.210 10.437 1.00 0.00 O ATOM 596 CB TYR A 57 -2.007 3.646 13.567 1.00 0.00 C ATOM 597 CG TYR A 57 -1.147 2.391 13.791 1.00 0.00 C ATOM 598 CD1 TYR A 57 -1.724 1.135 13.886 1.00 0.00 C ATOM 599 CD2 TYR A 57 0.229 2.528 13.858 1.00 0.00 C ATOM 600 CE1 TYR A 57 -0.921 0.007 14.011 1.00 0.00 C ATOM 601 CE2 TYR A 57 1.040 1.408 13.968 1.00 0.00 C ATOM 602 CZ TYR A 57 0.467 0.142 14.030 1.00 0.00 C ATOM 603 OH TYR A 57 1.258 -0.945 13.906 1.00 0.00 O ATOM 0 H TYR A 57 -2.887 2.462 10.760 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.791 4.966 12.074 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.500 4.498 14.019 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.950 3.518 14.098 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.799 1.032 13.863 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.673 3.512 13.824 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -1.371 -0.971 14.093 1.00 0.00 H new ATOM 0 HE2 TYR A 57 2.114 1.519 14.005 1.00 0.00 H new ATOM 0 HH TYR A 57 2.198 -0.671 13.939 1.00 0.00 H new ATOM 610 N ILE A 58 -0.250 5.120 11.533 1.00 0.00 N ATOM 611 CA ILE A 58 1.110 5.265 10.970 1.00 0.00 C ATOM 612 C ILE A 58 2.170 4.946 12.033 1.00 0.00 C ATOM 613 O ILE A 58 2.038 5.329 13.193 1.00 0.00 O ATOM 614 CB ILE A 58 1.385 6.651 10.350 1.00 0.00 C ATOM 615 CG1 ILE A 58 1.215 7.841 11.303 1.00 0.00 C ATOM 616 CG2 ILE A 58 0.544 6.850 9.095 1.00 0.00 C ATOM 617 CD1 ILE A 58 2.531 8.257 11.969 1.00 0.00 C ATOM 0 H ILE A 58 -0.541 5.899 12.124 1.00 0.00 H new ATOM 0 HA ILE A 58 1.172 4.545 10.154 1.00 0.00 H new ATOM 0 HB ILE A 58 2.446 6.641 10.098 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.808 8.688 10.751 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.488 7.584 12.073 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.750 7.833 8.671 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.792 6.080 8.365 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.513 6.780 9.351 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.352 9.103 12.632 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.927 7.421 12.546 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.252 8.543 11.203 1.00 0.00 H new ATOM 619 N ASN A 59 3.253 4.339 11.575 1.00 0.00 N ATOM 620 CA ASN A 59 4.403 4.056 12.446 1.00 0.00 C ATOM 621 C ASN A 59 5.669 4.754 11.937 1.00 0.00 C ATOM 622 O ASN A 59 6.243 4.412 10.899 1.00 0.00 O ATOM 623 CB ASN A 59 4.636 2.550 12.571 1.00 0.00 C ATOM 624 CG ASN A 59 5.198 2.212 13.954 1.00 0.00 C ATOM 625 OD1 ASN A 59 6.397 2.654 14.267 1.00 0.00 O flip ATOM 626 ND2 ASN A 59 4.565 1.561 14.765 1.00 0.00 N flip ATOM 0 H ASN A 59 3.368 4.030 10.610 1.00 0.00 H new ATOM 0 HA ASN A 59 4.173 4.452 13.435 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.699 2.016 12.411 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.329 2.217 11.798 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.635 1.216 14.528 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.965 1.361 15.682 1.00 0.00 H new ATOM 630 N THR A 60 6.189 5.577 12.840 1.00 0.00 N ATOM 631 CA THR A 60 7.414 6.376 12.616 1.00 0.00 C ATOM 632 C THR A 60 8.687 5.586 12.990 1.00 0.00 C ATOM 633 O THR A 60 9.479 5.970 13.845 1.00 0.00 O ATOM 634 CB THR A 60 7.280 7.756 13.297 1.00 0.00 C ATOM 635 OG1 THR A 60 8.398 8.576 12.950 1.00 0.00 O ATOM 636 CG2 THR A 60 7.077 7.703 14.819 1.00 0.00 C ATOM 0 H THR A 60 5.776 5.718 13.762 1.00 0.00 H new ATOM 0 HA THR A 60 7.529 6.578 11.551 1.00 0.00 H new ATOM 0 HB THR A 60 6.360 8.198 12.914 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.309 9.451 13.382 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.993 8.717 15.210 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.165 7.150 15.045 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.928 7.204 15.282 1.00 0.00 H new ATOM 639 N GLU A 61 8.794 4.414 12.363 1.00 0.00 N ATOM 640 CA GLU A 61 9.912 3.471 12.583 1.00 0.00 C ATOM 641 C GLU A 61 10.704 3.227 11.286 1.00 0.00 C ATOM 642 O GLU A 61 11.920 3.097 11.336 1.00 0.00 O ATOM 643 CB GLU A 61 9.384 2.142 13.138 1.00 0.00 C ATOM 644 CG GLU A 61 10.265 1.545 14.243 1.00 0.00 C ATOM 645 CD GLU A 61 11.694 1.226 13.791 1.00 0.00 C ATOM 646 OE1 GLU A 61 11.832 0.240 13.035 1.00 0.00 O ATOM 647 OE2 GLU A 61 12.601 1.968 14.220 1.00 0.00 O ATOM 0 H GLU A 61 8.109 4.083 11.684 1.00 0.00 H new ATOM 0 HA GLU A 61 10.589 3.919 13.311 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.378 2.295 13.530 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.302 1.424 12.322 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.306 2.243 15.079 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.799 0.632 14.613 1.00 0.00 H new ATOM 649 N HIS A 62 9.974 2.864 10.234 1.00 0.00 N ATOM 650 CA HIS A 62 10.495 2.841 8.852 1.00 0.00 C ATOM 651 C HIS A 62 9.529 3.555 7.882 1.00 0.00 C ATOM 652 O HIS A 62 9.019 2.940 6.955 1.00 0.00 O ATOM 653 CB HIS A 62 10.747 1.384 8.428 1.00 0.00 C ATOM 654 CG HIS A 62 12.052 0.793 8.966 1.00 0.00 C ATOM 655 ND1 HIS A 62 12.223 0.160 10.124 1.00 0.00 N ATOM 656 CD2 HIS A 62 13.176 0.667 8.268 1.00 0.00 C ATOM 657 CE1 HIS A 62 13.445 -0.361 10.135 1.00 0.00 C ATOM 658 NE2 HIS A 62 14.035 -0.051 8.984 1.00 0.00 N ATOM 0 H HIS A 62 8.999 2.575 10.307 1.00 0.00 H new ATOM 0 HA HIS A 62 11.439 3.385 8.815 1.00 0.00 H new ATOM 0 HB2 HIS A 62 9.914 0.769 8.769 1.00 0.00 H new ATOM 0 HB3 HIS A 62 10.758 1.331 7.339 1.00 0.00 H new ATOM 0 HD1 HIS A 62 11.535 0.087 10.873 1.00 0.00 H new ATOM 0 HD2 HIS A 62 13.360 1.078 7.286 1.00 0.00 H new ATOM 0 HE1 HIS A 62 13.883 -0.936 10.938 1.00 0.00 H new ATOM 661 N LYS A 63 9.101 4.768 8.252 1.00 0.00 N ATOM 662 CA LYS A 63 8.132 5.595 7.481 1.00 0.00 C ATOM 663 C LYS A 63 6.944 4.840 6.832 1.00 0.00 C ATOM 664 O LYS A 63 6.622 4.982 5.653 1.00 0.00 O ATOM 665 CB LYS A 63 8.892 6.430 6.436 1.00 0.00 C ATOM 666 CG LYS A 63 9.636 7.652 6.975 1.00 0.00 C ATOM 667 CD LYS A 63 8.663 8.690 7.536 1.00 0.00 C ATOM 668 CE LYS A 63 9.391 9.990 7.865 1.00 0.00 C ATOM 669 NZ LYS A 63 8.557 10.822 8.740 1.00 0.00 N ATOM 0 H LYS A 63 9.417 5.221 9.109 1.00 0.00 H new ATOM 0 HA LYS A 63 7.649 6.233 8.221 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.611 5.782 5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.182 6.765 5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.331 7.343 7.755 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.230 8.100 6.178 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.872 8.884 6.811 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.184 8.299 8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.341 9.772 8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.622 10.530 6.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.931 11.792 8.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.581 10.833 8.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.567 10.431 9.704 1.00 0.00 H new ATOM 674 N GLN A 64 6.243 4.054 7.645 1.00 0.00 N ATOM 675 CA GLN A 64 5.222 3.110 7.136 1.00 0.00 C ATOM 676 C GLN A 64 3.937 3.036 7.965 1.00 0.00 C ATOM 677 O GLN A 64 3.975 3.236 9.179 1.00 0.00 O ATOM 678 CB GLN A 64 5.834 1.718 6.901 1.00 0.00 C ATOM 679 CG GLN A 64 6.713 1.164 8.029 1.00 0.00 C ATOM 680 CD GLN A 64 5.990 0.197 8.961 1.00 0.00 C ATOM 681 OE1 GLN A 64 5.282 0.718 9.935 1.00 0.00 O flip ATOM 682 NE2 GLN A 64 6.074 -1.013 8.840 1.00 0.00 N flip ATOM 0 H GLN A 64 6.355 4.044 8.659 1.00 0.00 H new ATOM 0 HA GLN A 64 4.898 3.522 6.180 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.022 1.013 6.722 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.430 1.756 5.989 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.572 0.656 7.590 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.101 1.997 8.616 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.626 -1.413 8.081 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.592 -1.626 9.498 1.00 0.00 H new ATOM 686 N LEU A 65 2.833 2.718 7.292 1.00 0.00 N ATOM 687 CA LEU A 65 1.509 2.605 7.937 1.00 0.00 C ATOM 688 C LEU A 65 0.921 1.185 7.927 1.00 0.00 C ATOM 689 O LEU A 65 1.374 0.308 7.188 1.00 0.00 O ATOM 690 CB LEU A 65 0.488 3.610 7.364 1.00 0.00 C ATOM 691 CG LEU A 65 0.147 3.573 5.864 1.00 0.00 C ATOM 692 CD1 LEU A 65 -0.534 2.288 5.378 1.00 0.00 C ATOM 693 CD2 LEU A 65 -0.775 4.744 5.543 1.00 0.00 C ATOM 0 H LEU A 65 2.821 2.531 6.289 1.00 0.00 H new ATOM 0 HA LEU A 65 1.699 2.856 8.981 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.444 3.478 7.914 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.853 4.612 7.591 1.00 0.00 H new ATOM 0 HG LEU A 65 1.105 3.626 5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.732 2.363 4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.119 1.436 5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.474 2.150 5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.025 4.730 4.482 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.688 4.660 6.132 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.272 5.680 5.785 1.00 0.00 H new ATOM 695 N THR A 66 -0.139 1.053 8.716 1.00 0.00 N ATOM 696 CA THR A 66 -1.054 -0.106 8.711 1.00 0.00 C ATOM 697 C THR A 66 -2.459 0.379 8.308 1.00 0.00 C ATOM 698 O THR A 66 -2.906 1.454 8.714 1.00 0.00 O ATOM 699 CB THR A 66 -1.123 -0.766 10.098 1.00 0.00 C ATOM 700 OG1 THR A 66 -1.632 0.167 11.054 1.00 0.00 O ATOM 701 CG2 THR A 66 0.237 -1.288 10.568 1.00 0.00 C ATOM 0 H THR A 66 -0.402 1.763 9.399 1.00 0.00 H new ATOM 0 HA THR A 66 -0.682 -0.845 8.001 1.00 0.00 H new ATOM 0 HB THR A 66 -1.791 -1.623 10.013 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.353 -0.102 11.954 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.131 -1.744 11.552 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.605 -2.032 9.861 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.944 -0.461 10.626 1.00 0.00 H new ATOM 704 N LEU A 67 -3.071 -0.369 7.395 1.00 0.00 N ATOM 705 CA LEU A 67 -4.438 -0.111 6.890 1.00 0.00 C ATOM 706 C LEU A 67 -5.267 -1.398 6.772 1.00 0.00 C ATOM 707 O LEU A 67 -4.727 -2.446 6.426 1.00 0.00 O ATOM 708 CB LEU A 67 -4.357 0.553 5.510 1.00 0.00 C ATOM 709 CG LEU A 67 -4.918 1.979 5.501 1.00 0.00 C ATOM 710 CD1 LEU A 67 -3.980 2.983 6.169 1.00 0.00 C ATOM 711 CD2 LEU A 67 -5.214 2.418 4.072 1.00 0.00 C ATOM 0 H LEU A 67 -2.634 -1.187 6.971 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.931 0.544 7.608 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.317 0.575 5.183 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.905 -0.052 4.788 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.840 1.962 6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.427 3.977 6.135 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.817 2.694 7.207 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.026 2.996 5.642 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.612 3.433 4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.295 2.392 3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.947 1.744 3.629 1.00 0.00 H new ATOM 713 N TYR A 68 -6.576 -1.284 6.984 1.00 0.00 N ATOM 714 CA TYR A 68 -7.503 -2.428 6.842 1.00 0.00 C ATOM 715 C TYR A 68 -8.606 -2.228 5.798 1.00 0.00 C ATOM 716 O TYR A 68 -9.248 -1.183 5.728 1.00 0.00 O ATOM 717 CB TYR A 68 -8.107 -2.887 8.173 1.00 0.00 C ATOM 718 CG TYR A 68 -8.729 -1.759 9.003 1.00 0.00 C ATOM 719 CD1 TYR A 68 -7.908 -1.003 9.821 1.00 0.00 C ATOM 720 CD2 TYR A 68 -10.095 -1.534 8.980 1.00 0.00 C ATOM 721 CE1 TYR A 68 -8.449 0.000 10.611 1.00 0.00 C ATOM 722 CE2 TYR A 68 -10.644 -0.537 9.776 1.00 0.00 C ATOM 723 CZ TYR A 68 -9.817 0.242 10.579 1.00 0.00 C ATOM 724 OH TYR A 68 -10.322 1.252 11.320 1.00 0.00 O ATOM 0 H TYR A 68 -7.030 -0.412 7.256 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.860 -3.225 6.468 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.870 -3.639 7.973 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -7.330 -3.372 8.764 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.845 -1.194 9.844 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.732 -2.132 8.345 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.809 0.591 11.249 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.711 -0.367 9.772 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.293 1.298 11.193 1.00 0.00 H new ATOM 731 N ASN A 69 -8.684 -3.206 4.906 1.00 0.00 N ATOM 732 CA ASN A 69 -9.653 -3.231 3.792 1.00 0.00 C ATOM 733 C ASN A 69 -11.030 -3.699 4.290 1.00 0.00 C ATOM 734 O ASN A 69 -11.130 -4.718 4.975 1.00 0.00 O ATOM 735 CB ASN A 69 -9.124 -4.192 2.718 1.00 0.00 C ATOM 736 CG ASN A 69 -9.725 -4.067 1.311 1.00 0.00 C ATOM 737 OD1 ASN A 69 -10.743 -3.261 1.093 1.00 0.00 O flip ATOM 738 ND2 ASN A 69 -9.222 -4.623 0.349 1.00 0.00 N flip ATOM 0 H ASN A 69 -8.072 -4.022 4.926 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.768 -2.230 3.377 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.046 -4.051 2.639 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.287 -5.212 3.066 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.432 -5.254 0.480 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.592 -4.457 -0.587 1.00 0.00 H new ATOM 742 N LYS A 70 -12.055 -2.959 3.878 1.00 0.00 N ATOM 743 CA LYS A 70 -13.463 -3.333 4.135 1.00 0.00 C ATOM 744 C LYS A 70 -14.187 -4.012 2.950 1.00 0.00 C ATOM 745 O LYS A 70 -15.397 -4.217 2.992 1.00 0.00 O ATOM 746 CB LYS A 70 -14.246 -2.088 4.575 1.00 0.00 C ATOM 747 CG LYS A 70 -14.869 -2.247 5.968 1.00 0.00 C ATOM 748 CD LYS A 70 -15.849 -3.419 6.057 1.00 0.00 C ATOM 749 CE LYS A 70 -16.392 -3.599 7.474 1.00 0.00 C ATOM 750 NZ LYS A 70 -17.082 -4.892 7.568 1.00 0.00 N ATOM 0 H LYS A 70 -11.946 -2.087 3.359 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.431 -4.086 4.923 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.580 -1.225 4.575 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.033 -1.883 3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -14.075 -2.389 6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.388 -1.326 6.235 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -16.678 -3.253 5.369 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -15.350 -4.335 5.740 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.577 -3.555 8.197 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -17.079 -2.789 7.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.453 -5.018 8.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.869 -4.916 6.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.414 -5.659 7.351 1.00 0.00 H new ATOM 755 N ASN A 71 -13.416 -4.495 1.976 1.00 0.00 N ATOM 756 CA ASN A 71 -13.973 -5.239 0.822 1.00 0.00 C ATOM 757 C ASN A 71 -13.959 -6.773 0.939 1.00 0.00 C ATOM 758 O ASN A 71 -14.556 -7.478 0.130 1.00 0.00 O ATOM 759 CB ASN A 71 -13.258 -4.815 -0.458 1.00 0.00 C ATOM 760 CG ASN A 71 -14.200 -3.980 -1.323 1.00 0.00 C ATOM 761 OD1 ASN A 71 -14.714 -2.946 -0.926 1.00 0.00 O ATOM 762 ND2 ASN A 71 -14.428 -4.441 -2.531 1.00 0.00 N ATOM 0 H ASN A 71 -12.402 -4.390 1.954 1.00 0.00 H new ATOM 0 HA ASN A 71 -15.029 -4.970 0.802 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -12.366 -4.238 -0.213 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.927 -5.695 -1.009 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -15.047 -3.933 -3.162 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -13.986 -5.307 -2.838 1.00 0.00 H new ATOM 766 N ASN A 72 -13.123 -7.238 1.856 1.00 0.00 N ATOM 767 CA ASN A 72 -12.868 -8.662 2.144 1.00 0.00 C ATOM 768 C ASN A 72 -13.373 -9.019 3.562 1.00 0.00 C ATOM 769 O ASN A 72 -14.515 -8.711 3.894 1.00 0.00 O ATOM 770 CB ASN A 72 -11.365 -8.905 1.906 1.00 0.00 C ATOM 771 CG ASN A 72 -10.452 -7.816 2.505 1.00 0.00 C ATOM 772 OD1 ASN A 72 -9.492 -7.369 1.904 1.00 0.00 O ATOM 773 ND2 ASN A 72 -10.783 -7.300 3.666 1.00 0.00 N ATOM 0 H ASN A 72 -12.576 -6.616 2.451 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.421 -9.332 1.486 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.091 -9.870 2.333 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.183 -8.968 0.833 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.238 -6.532 4.057 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -11.586 -7.667 4.177 1.00 0.00 H new ATOM 777 N SER A 73 -12.530 -9.629 4.394 1.00 0.00 N ATOM 778 CA SER A 73 -12.873 -9.953 5.796 1.00 0.00 C ATOM 779 C SER A 73 -11.749 -9.615 6.787 1.00 0.00 C ATOM 780 O SER A 73 -10.998 -10.466 7.257 1.00 0.00 O ATOM 781 CB SER A 73 -13.310 -11.424 5.887 1.00 0.00 C ATOM 782 OG SER A 73 -12.422 -12.256 5.130 1.00 0.00 O ATOM 0 H SER A 73 -11.589 -9.916 4.125 1.00 0.00 H new ATOM 0 HA SER A 73 -13.707 -9.317 6.095 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.319 -11.744 6.929 1.00 0.00 H new ATOM 0 HB3 SER A 73 -14.328 -11.532 5.512 1.00 0.00 H new ATOM 0 HG SER A 73 -12.711 -13.190 5.198 1.00 0.00 H new ATOM 785 N SER A 74 -11.719 -8.335 7.157 1.00 0.00 N ATOM 786 CA SER A 74 -10.724 -7.751 8.090 1.00 0.00 C ATOM 787 C SER A 74 -9.235 -7.984 7.748 1.00 0.00 C ATOM 788 O SER A 74 -8.425 -8.365 8.596 1.00 0.00 O ATOM 789 CB SER A 74 -11.051 -8.189 9.525 1.00 0.00 C ATOM 790 OG SER A 74 -12.289 -7.608 9.942 1.00 0.00 O ATOM 0 H SER A 74 -12.395 -7.651 6.816 1.00 0.00 H new ATOM 0 HA SER A 74 -10.828 -6.672 7.980 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.114 -9.276 9.577 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.251 -7.883 10.199 1.00 0.00 H new ATOM 0 HG SER A 74 -12.492 -7.893 10.857 1.00 0.00 H new ATOM 793 N ILE A 75 -8.847 -7.444 6.593 1.00 0.00 N ATOM 794 CA ILE A 75 -7.455 -7.527 6.094 1.00 0.00 C ATOM 795 C ILE A 75 -6.687 -6.239 6.437 1.00 0.00 C ATOM 796 O ILE A 75 -6.924 -5.181 5.859 1.00 0.00 O ATOM 797 CB ILE A 75 -7.381 -7.919 4.596 1.00 0.00 C ATOM 798 CG1 ILE A 75 -7.847 -9.381 4.455 1.00 0.00 C ATOM 799 CG2 ILE A 75 -5.983 -7.709 3.982 1.00 0.00 C ATOM 800 CD1 ILE A 75 -7.866 -10.011 3.053 1.00 0.00 C ATOM 0 H ILE A 75 -9.478 -6.937 5.972 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.954 -8.344 6.613 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.039 -7.257 4.033 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.206 -9.996 5.086 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.856 -9.449 4.863 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.999 -8.002 2.932 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.705 -6.658 4.061 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.255 -8.318 4.518 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.217 -11.041 3.122 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -8.535 -9.442 2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -6.860 -9.998 2.635 1.00 0.00 H new ATOM 802 N VAL A 76 -5.664 -6.456 7.253 1.00 0.00 N ATOM 803 CA VAL A 76 -4.698 -5.434 7.705 1.00 0.00 C ATOM 804 C VAL A 76 -3.361 -5.602 6.975 1.00 0.00 C ATOM 805 O VAL A 76 -2.744 -6.665 6.984 1.00 0.00 O ATOM 806 CB VAL A 76 -4.457 -5.404 9.231 1.00 0.00 C ATOM 807 CG1 VAL A 76 -5.592 -4.661 9.930 1.00 0.00 C ATOM 808 CG2 VAL A 76 -4.283 -6.783 9.879 1.00 0.00 C ATOM 0 H VAL A 76 -5.467 -7.379 7.639 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.156 -4.477 7.454 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.508 -4.883 9.360 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.410 -4.647 11.005 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.641 -3.638 9.557 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.536 -5.167 9.728 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.119 -6.664 10.950 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.181 -7.379 9.714 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.425 -7.288 9.435 1.00 0.00 H new ATOM 810 N ILE A 77 -3.015 -4.549 6.252 1.00 0.00 N ATOM 811 CA ILE A 77 -1.766 -4.468 5.469 1.00 0.00 C ATOM 812 C ILE A 77 -0.824 -3.400 6.036 1.00 0.00 C ATOM 813 O ILE A 77 -1.255 -2.343 6.497 1.00 0.00 O ATOM 814 CB ILE A 77 -2.040 -4.227 3.972 1.00 0.00 C ATOM 815 CG1 ILE A 77 -2.836 -2.947 3.696 1.00 0.00 C ATOM 816 CG2 ILE A 77 -2.737 -5.440 3.354 1.00 0.00 C ATOM 817 CD1 ILE A 77 -1.966 -1.847 3.088 1.00 0.00 C ATOM 0 H ILE A 77 -3.592 -3.711 6.183 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.270 -5.435 5.555 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.068 -4.088 3.500 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.660 -3.172 3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.277 -2.587 4.626 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.923 -5.253 2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.101 -6.319 3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.685 -5.614 3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.573 -0.960 2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.157 -1.601 3.776 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.546 -2.195 2.144 1.00 0.00 H new ATOM 819 N GLU A 78 0.458 -3.734 5.990 1.00 0.00 N ATOM 820 CA GLU A 78 1.541 -2.867 6.502 1.00 0.00 C ATOM 821 C GLU A 78 2.521 -2.615 5.350 1.00 0.00 C ATOM 822 O GLU A 78 3.056 -3.566 4.777 1.00 0.00 O ATOM 823 CB GLU A 78 2.296 -3.530 7.660 1.00 0.00 C ATOM 824 CG GLU A 78 1.384 -4.114 8.746 1.00 0.00 C ATOM 825 CD GLU A 78 2.143 -4.895 9.824 1.00 0.00 C ATOM 826 OE1 GLU A 78 3.241 -4.448 10.222 1.00 0.00 O ATOM 827 OE2 GLU A 78 1.594 -5.941 10.235 1.00 0.00 O ATOM 0 H GLU A 78 0.790 -4.615 5.597 1.00 0.00 H new ATOM 0 HA GLU A 78 1.107 -1.939 6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.925 -4.326 7.262 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.961 -2.796 8.115 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.829 -3.303 9.218 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.651 -4.772 8.279 1.00 0.00 H new ATOM 829 N ILE A 79 2.528 -1.371 4.884 1.00 0.00 N ATOM 830 CA ILE A 79 3.331 -0.994 3.700 1.00 0.00 C ATOM 831 C ILE A 79 4.287 0.191 3.892 1.00 0.00 C ATOM 832 O ILE A 79 3.895 1.275 4.333 1.00 0.00 O ATOM 833 CB ILE A 79 2.469 -0.829 2.432 1.00 0.00 C ATOM 834 CG1 ILE A 79 1.282 0.126 2.627 1.00 0.00 C ATOM 835 CG2 ILE A 79 2.003 -2.207 1.960 1.00 0.00 C ATOM 836 CD1 ILE A 79 0.535 0.469 1.334 1.00 0.00 C ATOM 0 H ILE A 79 1.996 -0.604 5.295 1.00 0.00 H new ATOM 0 HA ILE A 79 3.989 -1.852 3.558 1.00 0.00 H new ATOM 0 HB ILE A 79 3.090 -0.366 1.665 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.581 -0.322 3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.643 1.049 3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.393 -2.097 1.063 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.871 -2.827 1.735 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.413 -2.680 2.745 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.288 1.147 1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.220 0.948 0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.141 -0.444 0.888 1.00 0.00 H new ATOM 838 N PHE A 80 5.522 -0.037 3.449 1.00 0.00 N ATOM 839 CA PHE A 80 6.570 1.000 3.464 1.00 0.00 C ATOM 840 C PHE A 80 6.820 1.550 2.062 1.00 0.00 C ATOM 841 O PHE A 80 7.167 0.822 1.135 1.00 0.00 O ATOM 842 CB PHE A 80 7.903 0.564 4.101 1.00 0.00 C ATOM 843 CG PHE A 80 8.957 1.688 4.222 1.00 0.00 C ATOM 844 CD1 PHE A 80 8.610 3.037 4.174 1.00 0.00 C ATOM 845 CD2 PHE A 80 10.300 1.360 4.381 1.00 0.00 C ATOM 846 CE1 PHE A 80 9.575 4.032 4.220 1.00 0.00 C ATOM 847 CE2 PHE A 80 11.266 2.355 4.483 1.00 0.00 C ATOM 848 CZ PHE A 80 10.909 3.695 4.395 1.00 0.00 C ATOM 0 H PHE A 80 5.829 -0.934 3.072 1.00 0.00 H new ATOM 0 HA PHE A 80 6.172 1.784 4.109 1.00 0.00 H new ATOM 0 HB2 PHE A 80 7.702 0.164 5.095 1.00 0.00 H new ATOM 0 HB3 PHE A 80 8.324 -0.249 3.510 1.00 0.00 H new ATOM 0 HD1 PHE A 80 7.569 3.313 4.099 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.595 0.322 4.426 1.00 0.00 H new ATOM 0 HE1 PHE A 80 9.288 5.068 4.120 1.00 0.00 H new ATOM 0 HE2 PHE A 80 12.301 2.084 4.632 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.662 4.466 4.462 1.00 0.00 H new ATOM 855 N ILE A 81 6.644 2.863 2.017 1.00 0.00 N ATOM 856 CA ILE A 81 6.860 3.735 0.853 1.00 0.00 C ATOM 857 C ILE A 81 8.078 4.631 1.188 1.00 0.00 C ATOM 858 O ILE A 81 7.926 5.562 1.979 1.00 0.00 O ATOM 859 CB ILE A 81 5.544 4.509 0.622 1.00 0.00 C ATOM 860 CG1 ILE A 81 4.465 3.654 -0.050 1.00 0.00 C ATOM 861 CG2 ILE A 81 5.723 5.761 -0.227 1.00 0.00 C ATOM 862 CD1 ILE A 81 3.753 2.648 0.855 1.00 0.00 C ATOM 0 H ILE A 81 6.329 3.386 2.834 1.00 0.00 H new ATOM 0 HA ILE A 81 7.090 3.209 -0.074 1.00 0.00 H new ATOM 0 HB ILE A 81 5.229 4.791 1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.717 4.320 -0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.922 3.110 -0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.761 6.257 -0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.420 6.439 0.266 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.117 5.484 -1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.011 2.099 0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.482 1.950 1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.258 3.178 1.669 1.00 0.00 H new ATOM 864 N PRO A 82 9.292 4.207 0.803 1.00 0.00 N ATOM 865 CA PRO A 82 10.519 5.000 0.997 1.00 0.00 C ATOM 866 C PRO A 82 10.665 6.032 -0.139 1.00 0.00 C ATOM 867 O PRO A 82 10.049 7.092 -0.087 1.00 0.00 O ATOM 868 CB PRO A 82 11.670 3.977 1.037 1.00 0.00 C ATOM 869 CG PRO A 82 11.007 2.600 1.056 1.00 0.00 C ATOM 870 CD PRO A 82 9.637 2.826 0.432 1.00 0.00 C ATOM 0 HA PRO A 82 10.509 5.583 1.918 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.319 4.086 0.168 1.00 0.00 H new ATOM 0 HB3 PRO A 82 12.292 4.123 1.920 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.587 1.873 0.487 1.00 0.00 H new ATOM 0 HG3 PRO A 82 10.921 2.215 2.072 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.667 2.701 -0.650 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.904 2.116 0.815 1.00 0.00 H new ATOM 871 N ASN A 83 11.414 5.632 -1.168 1.00 0.00 N ATOM 872 CA ASN A 83 11.784 6.317 -2.425 1.00 0.00 C ATOM 873 C ASN A 83 12.876 5.430 -3.062 1.00 0.00 C ATOM 874 O ASN A 83 12.861 4.222 -2.816 1.00 0.00 O ATOM 875 CB ASN A 83 12.291 7.749 -2.169 1.00 0.00 C ATOM 876 CG ASN A 83 11.979 8.736 -3.307 1.00 0.00 C ATOM 877 OD1 ASN A 83 11.539 8.283 -4.464 1.00 0.00 O flip ATOM 878 ND2 ASN A 83 12.084 9.941 -3.149 1.00 0.00 N flip ATOM 0 H ASN A 83 11.832 4.702 -1.144 1.00 0.00 H new ATOM 0 HA ASN A 83 10.925 6.435 -3.085 1.00 0.00 H new ATOM 0 HB2 ASN A 83 11.846 8.122 -1.246 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.369 7.719 -2.013 1.00 0.00 H new ATOM 0 HD21 ASN A 83 12.423 10.311 -2.261 1.00 0.00 H new ATOM 0 HD22 ASN A 83 11.833 10.578 -3.905 1.00 0.00 H new ATOM 882 N ASP A 84 13.751 5.983 -3.910 1.00 0.00 N ATOM 883 CA ASP A 84 14.925 5.279 -4.488 1.00 0.00 C ATOM 884 C ASP A 84 14.651 3.874 -5.063 1.00 0.00 C ATOM 885 O ASP A 84 15.541 3.026 -5.128 1.00 0.00 O ATOM 886 CB ASP A 84 16.070 5.218 -3.464 1.00 0.00 C ATOM 887 CG ASP A 84 16.772 6.566 -3.312 1.00 0.00 C ATOM 888 OD1 ASP A 84 16.283 7.366 -2.484 1.00 0.00 O ATOM 889 OD2 ASP A 84 17.742 6.787 -4.065 1.00 0.00 O ATOM 0 H ASP A 84 13.671 6.950 -4.226 1.00 0.00 H new ATOM 0 HA ASP A 84 15.207 5.882 -5.351 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.676 4.903 -2.498 1.00 0.00 H new ATOM 0 HB3 ASP A 84 16.794 4.465 -3.774 1.00 0.00 H new ATOM 891 N ASN A 85 13.463 3.740 -5.651 1.00 0.00 N ATOM 892 CA ASN A 85 12.893 2.466 -6.143 1.00 0.00 C ATOM 893 C ASN A 85 12.878 1.396 -5.031 1.00 0.00 C ATOM 894 O ASN A 85 13.802 0.597 -4.912 1.00 0.00 O ATOM 895 CB ASN A 85 13.654 1.943 -7.379 1.00 0.00 C ATOM 896 CG ASN A 85 14.295 3.033 -8.246 1.00 0.00 C ATOM 897 OD1 ASN A 85 13.697 4.036 -8.614 1.00 0.00 O ATOM 898 ND2 ASN A 85 15.605 2.997 -8.286 1.00 0.00 N ATOM 0 H ASN A 85 12.843 4.535 -5.808 1.00 0.00 H new ATOM 0 HA ASN A 85 11.864 2.669 -6.441 1.00 0.00 H new ATOM 0 HB2 ASN A 85 14.434 1.258 -7.046 1.00 0.00 H new ATOM 0 HB3 ASN A 85 12.965 1.366 -7.996 1.00 0.00 H new ATOM 0 HD21 ASN A 85 16.127 3.805 -8.624 1.00 0.00 H new ATOM 0 HD22 ASN A 85 16.102 2.161 -7.979 1.00 0.00 H new ATOM 902 N LYS A 86 11.865 1.486 -4.167 1.00 0.00 N ATOM 903 CA LYS A 86 11.602 0.503 -3.090 1.00 0.00 C ATOM 904 C LYS A 86 10.212 0.721 -2.472 1.00 0.00 C ATOM 905 O LYS A 86 9.758 1.860 -2.386 1.00 0.00 O ATOM 906 CB LYS A 86 12.638 0.640 -1.963 1.00 0.00 C ATOM 907 CG LYS A 86 13.327 -0.698 -1.668 1.00 0.00 C ATOM 908 CD LYS A 86 14.822 -0.644 -2.007 1.00 0.00 C ATOM 909 CE LYS A 86 15.704 -0.355 -0.788 1.00 0.00 C ATOM 910 NZ LYS A 86 15.917 -1.566 0.019 1.00 0.00 N ATOM 0 H LYS A 86 11.190 2.250 -4.188 1.00 0.00 H new ATOM 0 HA LYS A 86 11.661 -0.487 -3.542 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.386 1.382 -2.243 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.149 1.006 -1.060 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.200 -0.950 -0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.850 -1.490 -2.245 1.00 0.00 H new ATOM 0 HD2 LYS A 86 15.123 -1.594 -2.449 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.990 0.125 -2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 86 16.666 0.038 -1.118 1.00 0.00 H new ATOM 0 HE3 LYS A 86 15.238 0.416 -0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 16.518 -1.337 0.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.000 -1.926 0.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 16.384 -2.292 -0.561 1.00 0.00 H new ATOM 915 N ILE A 87 9.500 -0.390 -2.301 1.00 0.00 N ATOM 916 CA ILE A 87 8.246 -0.509 -1.520 1.00 0.00 C ATOM 917 C ILE A 87 8.111 -1.959 -1.009 1.00 0.00 C ATOM 918 O ILE A 87 8.516 -2.906 -1.684 1.00 0.00 O ATOM 919 CB ILE A 87 7.006 -0.063 -2.340 1.00 0.00 C ATOM 920 CG1 ILE A 87 5.731 0.020 -1.480 1.00 0.00 C ATOM 921 CG2 ILE A 87 6.766 -0.956 -3.564 1.00 0.00 C ATOM 922 CD1 ILE A 87 4.516 0.656 -2.172 1.00 0.00 C ATOM 0 H ILE A 87 9.784 -1.277 -2.716 1.00 0.00 H new ATOM 0 HA ILE A 87 8.294 0.166 -0.665 1.00 0.00 H new ATOM 0 HB ILE A 87 7.234 0.942 -2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.461 -0.987 -1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 87 5.956 0.591 -0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 87 5.888 -0.604 -4.105 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.636 -0.916 -4.219 1.00 0.00 H new ATOM 0 HG23 ILE A 87 6.603 -1.983 -3.238 1.00 0.00 H new ATOM 0 HD11 ILE A 87 3.670 0.668 -1.484 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.758 1.677 -2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.256 0.075 -3.057 1.00 0.00 H new ATOM 924 N LEU A 88 7.573 -2.093 0.198 1.00 0.00 N ATOM 925 CA LEU A 88 7.266 -3.409 0.793 1.00 0.00 C ATOM 926 C LEU A 88 5.792 -3.512 1.210 1.00 0.00 C ATOM 927 O LEU A 88 5.261 -2.598 1.840 1.00 0.00 O ATOM 928 CB LEU A 88 8.175 -3.653 2.004 1.00 0.00 C ATOM 929 CG LEU A 88 8.900 -5.006 1.959 1.00 0.00 C ATOM 930 CD1 LEU A 88 9.966 -5.041 3.053 1.00 0.00 C ATOM 931 CD2 LEU A 88 7.945 -6.189 2.156 1.00 0.00 C ATOM 0 H LEU A 88 7.335 -1.303 0.797 1.00 0.00 H new ATOM 0 HA LEU A 88 7.449 -4.173 0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.915 -2.854 2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.578 -3.599 2.914 1.00 0.00 H new ATOM 0 HG LEU A 88 9.349 -5.104 0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.484 -6.000 3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.683 -4.236 2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.493 -4.912 4.026 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.508 -7.122 2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.454 -6.103 3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.193 -6.185 1.367 1.00 0.00 H new ATOM 933 N LEU A 89 5.187 -4.633 0.826 1.00 0.00 N ATOM 934 CA LEU A 89 3.791 -5.007 1.153 1.00 0.00 C ATOM 935 C LEU A 89 3.713 -6.301 1.969 1.00 0.00 C ATOM 936 O LEU A 89 4.336 -7.294 1.602 1.00 0.00 O ATOM 937 CB LEU A 89 3.002 -5.106 -0.169 1.00 0.00 C ATOM 938 CG LEU A 89 1.613 -5.755 -0.325 1.00 0.00 C ATOM 939 CD1 LEU A 89 1.698 -7.283 -0.390 1.00 0.00 C ATOM 940 CD2 LEU A 89 0.595 -5.285 0.716 1.00 0.00 C ATOM 0 H LEU A 89 5.660 -5.337 0.260 1.00 0.00 H new ATOM 0 HA LEU A 89 3.348 -4.241 1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.897 -4.083 -0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.656 -5.627 -0.869 1.00 0.00 H new ATOM 0 HG LEU A 89 1.234 -5.405 -1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.696 -7.699 -0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.309 -7.577 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.149 -7.662 0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.359 -5.784 0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.957 -5.529 1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.460 -4.207 0.632 1.00 0.00 H new ATOM 942 N THR A 90 2.979 -6.228 3.075 1.00 0.00 N ATOM 943 CA THR A 90 2.539 -7.430 3.820 1.00 0.00 C ATOM 944 C THR A 90 1.021 -7.460 4.065 1.00 0.00 C ATOM 945 O THR A 90 0.413 -6.431 4.364 1.00 0.00 O ATOM 946 CB THR A 90 3.352 -7.692 5.107 1.00 0.00 C ATOM 947 OG1 THR A 90 2.885 -8.882 5.751 1.00 0.00 O ATOM 948 CG2 THR A 90 3.347 -6.529 6.101 1.00 0.00 C ATOM 0 H THR A 90 2.668 -5.348 3.487 1.00 0.00 H new ATOM 0 HA THR A 90 2.760 -8.269 3.160 1.00 0.00 H new ATOM 0 HB THR A 90 4.387 -7.811 4.785 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.408 -9.040 6.565 1.00 0.00 H new ATOM 0 HG21 THR A 90 3.940 -6.795 6.976 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.774 -5.645 5.628 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.323 -6.317 6.408 1.00 0.00 H new ATOM 951 N ILE A 91 0.492 -8.682 4.027 1.00 0.00 N ATOM 952 CA ILE A 91 -0.944 -9.006 4.205 1.00 0.00 C ATOM 953 C ILE A 91 -1.078 -9.742 5.554 1.00 0.00 C ATOM 954 O ILE A 91 -0.317 -10.664 5.848 1.00 0.00 O ATOM 955 CB ILE A 91 -1.449 -9.941 3.077 1.00 0.00 C ATOM 956 CG1 ILE A 91 -1.105 -9.478 1.647 1.00 0.00 C ATOM 957 CG2 ILE A 91 -2.944 -10.284 3.216 1.00 0.00 C ATOM 958 CD1 ILE A 91 -1.759 -8.180 1.156 1.00 0.00 C ATOM 0 H ILE A 91 1.063 -9.512 3.866 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.534 -8.090 4.177 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.880 -10.859 3.224 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.024 -9.358 1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.379 -10.277 0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.244 -10.941 2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.115 -10.786 4.168 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.533 -9.367 3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.432 -7.971 0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.843 -8.289 1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.467 -7.356 1.807 1.00 0.00 H new ATOM 960 N MET A 92 -2.114 -9.369 6.296 1.00 0.00 N ATOM 961 CA MET A 92 -2.481 -9.953 7.605 1.00 0.00 C ATOM 962 C MET A 92 -3.986 -9.698 7.842 1.00 0.00 C ATOM 963 O MET A 92 -4.617 -8.956 7.092 1.00 0.00 O ATOM 964 CB MET A 92 -1.603 -9.265 8.660 1.00 0.00 C ATOM 965 CG MET A 92 -1.327 -10.097 9.917 1.00 0.00 C ATOM 966 SD MET A 92 -2.681 -10.110 11.149 1.00 0.00 S ATOM 967 CE MET A 92 -1.922 -11.101 12.415 1.00 0.00 C ATOM 0 H MET A 92 -2.751 -8.628 6.004 1.00 0.00 H new ATOM 0 HA MET A 92 -2.316 -11.029 7.652 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.650 -9.001 8.201 1.00 0.00 H new ATOM 0 HB3 MET A 92 -2.083 -8.333 8.958 1.00 0.00 H new ATOM 0 HG2 MET A 92 -1.120 -11.124 9.616 1.00 0.00 H new ATOM 0 HG3 MET A 92 -0.424 -9.717 10.395 1.00 0.00 H new ATOM 0 HE1 MET A 92 -2.695 -11.553 13.036 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.324 -11.886 11.953 1.00 0.00 H new ATOM 0 HE3 MET A 92 -1.281 -10.473 13.033 1.00 0.00 H new ATOM 969 N ASN A 93 -4.588 -10.436 8.770 1.00 0.00 N ATOM 970 CA ASN A 93 -6.016 -10.277 9.120 1.00 0.00 C ATOM 971 C ASN A 93 -6.232 -10.077 10.625 1.00 0.00 C ATOM 972 O ASN A 93 -5.718 -10.855 11.422 1.00 0.00 O ATOM 973 CB ASN A 93 -6.796 -11.519 8.682 1.00 0.00 C ATOM 974 CG ASN A 93 -7.177 -11.490 7.203 1.00 0.00 C ATOM 975 OD1 ASN A 93 -8.300 -11.188 6.842 1.00 0.00 O ATOM 976 ND2 ASN A 93 -6.280 -11.889 6.328 1.00 0.00 N ATOM 0 H ASN A 93 -4.111 -11.162 9.305 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.372 -9.386 8.602 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.196 -12.407 8.880 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -7.701 -11.605 9.284 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -6.523 -11.947 5.339 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.341 -12.140 6.638 1.00 0.00 H new ATOM 980 N THR A 94 -7.095 -9.130 10.982 1.00 0.00 N ATOM 981 CA THR A 94 -7.517 -8.929 12.392 1.00 0.00 C ATOM 982 C THR A 94 -8.446 -10.028 12.938 1.00 0.00 C ATOM 983 O THR A 94 -8.686 -10.096 14.140 1.00 0.00 O ATOM 984 CB THR A 94 -8.122 -7.549 12.674 1.00 0.00 C ATOM 985 OG1 THR A 94 -9.035 -7.172 11.641 1.00 0.00 O ATOM 986 CG2 THR A 94 -7.034 -6.498 12.893 1.00 0.00 C ATOM 0 H THR A 94 -7.525 -8.481 10.323 1.00 0.00 H new ATOM 0 HA THR A 94 -6.574 -8.996 12.934 1.00 0.00 H new ATOM 0 HB THR A 94 -8.690 -7.611 13.602 1.00 0.00 H new ATOM 0 HG1 THR A 94 -9.410 -6.289 11.842 1.00 0.00 H new ATOM 0 HG21 THR A 94 -7.497 -5.531 13.090 1.00 0.00 H new ATOM 0 HG22 THR A 94 -6.417 -6.785 13.744 1.00 0.00 H new ATOM 0 HG23 THR A 94 -6.412 -6.427 12.001 1.00 0.00 H new ATOM 989 N GLU A 95 -9.010 -10.827 12.032 1.00 0.00 N ATOM 990 CA GLU A 95 -9.791 -12.033 12.383 1.00 0.00 C ATOM 991 C GLU A 95 -9.074 -13.363 12.056 1.00 0.00 C ATOM 992 O GLU A 95 -9.703 -14.419 12.018 1.00 0.00 O ATOM 993 CB GLU A 95 -11.156 -11.978 11.685 1.00 0.00 C ATOM 994 CG GLU A 95 -12.082 -10.918 12.294 1.00 0.00 C ATOM 995 CD GLU A 95 -13.456 -10.843 11.615 1.00 0.00 C ATOM 996 OE1 GLU A 95 -13.517 -10.983 10.374 1.00 0.00 O ATOM 997 OE2 GLU A 95 -14.422 -10.556 12.356 1.00 0.00 O ATOM 0 H GLU A 95 -8.943 -10.663 11.028 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.913 -12.022 13.466 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.011 -11.765 10.626 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.634 -12.955 11.751 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -12.220 -11.133 13.354 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -11.599 -9.943 12.227 1.00 0.00 H new ATOM 999 N ALA A 96 -7.740 -13.312 11.977 1.00 0.00 N ATOM 1000 CA ALA A 96 -6.860 -14.458 11.638 1.00 0.00 C ATOM 1001 C ALA A 96 -5.378 -14.095 11.897 1.00 0.00 C ATOM 1002 O ALA A 96 -5.095 -13.158 12.638 1.00 0.00 O ATOM 1003 CB ALA A 96 -7.090 -14.875 10.175 1.00 0.00 C ATOM 0 H ALA A 96 -7.219 -12.453 12.150 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.108 -15.305 12.277 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.442 -15.717 9.930 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.131 -15.167 10.039 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.860 -14.037 9.517 1.00 0.00 H new ATOM 1005 N LEU A 97 -4.452 -14.918 11.402 1.00 0.00 N ATOM 1006 CA LEU A 97 -2.996 -14.675 11.476 1.00 0.00 C ATOM 1007 C LEU A 97 -2.288 -15.131 10.193 1.00 0.00 C ATOM 1008 O LEU A 97 -2.731 -16.081 9.549 1.00 0.00 O ATOM 1009 CB LEU A 97 -2.363 -15.392 12.676 1.00 0.00 C ATOM 1010 CG LEU A 97 -2.647 -14.678 14.002 1.00 0.00 C ATOM 1011 CD1 LEU A 97 -3.559 -15.522 14.894 1.00 0.00 C ATOM 1012 CD2 LEU A 97 -1.333 -14.345 14.709 1.00 0.00 C ATOM 0 H LEU A 97 -4.689 -15.790 10.928 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.867 -13.599 11.597 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.743 -16.412 12.728 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.285 -15.461 12.527 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.170 -13.745 13.792 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.745 -14.993 15.829 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.505 -15.699 14.383 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.078 -16.476 15.107 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.545 -13.838 15.650 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.784 -15.265 14.908 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.733 -13.694 14.073 1.00 0.00 H new ATOM 1014 N GLY A 98 -1.233 -14.389 9.832 1.00 0.00 N ATOM 1015 CA GLY A 98 -0.402 -14.723 8.656 1.00 0.00 C ATOM 1016 C GLY A 98 0.728 -13.714 8.416 1.00 0.00 C ATOM 1017 O GLY A 98 0.566 -12.758 7.665 1.00 0.00 O ATOM 0 H GLY A 98 -0.931 -13.554 10.333 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.027 -15.716 8.791 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.036 -14.768 7.771 1.00 0.00 H new ATOM 1019 N THR A 99 1.878 -13.994 9.018 1.00 0.00 N ATOM 1020 CA THR A 99 3.079 -13.140 8.877 1.00 0.00 C ATOM 1021 C THR A 99 4.066 -13.855 7.943 1.00 0.00 C ATOM 1022 O THR A 99 4.916 -14.632 8.379 1.00 0.00 O ATOM 1023 CB THR A 99 3.723 -12.865 10.247 1.00 0.00 C ATOM 1024 OG1 THR A 99 2.713 -12.532 11.209 1.00 0.00 O ATOM 1025 CG2 THR A 99 4.732 -11.715 10.167 1.00 0.00 C ATOM 0 H THR A 99 2.017 -14.809 9.615 1.00 0.00 H new ATOM 0 HA THR A 99 2.799 -12.175 8.455 1.00 0.00 H new ATOM 0 HB THR A 99 4.246 -13.771 10.553 1.00 0.00 H new ATOM 0 HG1 THR A 99 3.133 -12.360 12.078 1.00 0.00 H new ATOM 0 HG21 THR A 99 5.169 -11.546 11.151 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.520 -11.971 9.459 1.00 0.00 H new ATOM 0 HG23 THR A 99 4.225 -10.809 9.834 1.00 0.00 H new ATOM 1028 N SER A 100 3.824 -13.653 6.650 1.00 0.00 N ATOM 1029 CA SER A 100 4.579 -14.300 5.546 1.00 0.00 C ATOM 1030 C SER A 100 4.458 -13.631 4.156 1.00 0.00 C ATOM 1031 O SER A 100 5.491 -13.510 3.497 1.00 0.00 O ATOM 1032 CB SER A 100 4.235 -15.798 5.449 1.00 0.00 C ATOM 1033 OG SER A 100 4.943 -16.435 4.382 1.00 0.00 O ATOM 0 H SER A 100 3.089 -13.028 6.320 1.00 0.00 H new ATOM 0 HA SER A 100 5.623 -14.165 5.827 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.478 -16.289 6.391 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.162 -15.916 5.296 1.00 0.00 H new ATOM 0 HG SER A 100 4.702 -17.384 4.350 1.00 0.00 H new ATOM 1036 N PRO A 101 3.277 -13.187 3.684 1.00 0.00 N ATOM 1037 CA PRO A 101 3.165 -12.506 2.376 1.00 0.00 C ATOM 1038 C PRO A 101 3.770 -11.093 2.400 1.00 0.00 C ATOM 1039 O PRO A 101 3.107 -10.121 2.752 1.00 0.00 O ATOM 1040 CB PRO A 101 1.670 -12.529 2.039 1.00 0.00 C ATOM 1041 CG PRO A 101 0.996 -12.535 3.410 1.00 0.00 C ATOM 1042 CD PRO A 101 1.931 -13.387 4.266 1.00 0.00 C ATOM 0 HA PRO A 101 3.742 -13.011 1.601 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.377 -11.659 1.452 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.403 -13.411 1.457 1.00 0.00 H new ATOM 0 HG2 PRO A 101 0.893 -11.527 3.811 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -0.005 -12.963 3.363 1.00 0.00 H new ATOM 0 HD2 PRO A 101 1.903 -13.075 5.310 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.642 -14.438 4.239 1.00 0.00 H new ATOM 1043 N ARG A 102 5.076 -11.063 2.154 1.00 0.00 N ATOM 1044 CA ARG A 102 5.875 -9.827 2.066 1.00 0.00 C ATOM 1045 C ARG A 102 6.555 -9.708 0.690 1.00 0.00 C ATOM 1046 O ARG A 102 7.267 -10.606 0.243 1.00 0.00 O ATOM 1047 CB ARG A 102 6.867 -9.737 3.240 1.00 0.00 C ATOM 1048 CG ARG A 102 7.996 -10.777 3.215 1.00 0.00 C ATOM 1049 CD ARG A 102 8.899 -10.711 4.451 1.00 0.00 C ATOM 1050 NE ARG A 102 8.303 -11.409 5.609 1.00 0.00 N ATOM 1051 CZ ARG A 102 8.124 -12.727 5.753 1.00 0.00 C ATOM 1052 NH1 ARG A 102 8.463 -13.599 4.812 1.00 0.00 N ATOM 1053 NH2 ARG A 102 7.680 -13.214 6.900 1.00 0.00 N ATOM 0 H ARG A 102 5.627 -11.909 2.006 1.00 0.00 H new ATOM 0 HA ARG A 102 5.210 -8.968 2.154 1.00 0.00 H new ATOM 0 HB2 ARG A 102 7.310 -8.741 3.246 1.00 0.00 H new ATOM 0 HB3 ARG A 102 6.314 -9.845 4.173 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.562 -11.774 3.142 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.601 -10.626 2.321 1.00 0.00 H new ATOM 0 HD2 ARG A 102 9.866 -11.156 4.218 1.00 0.00 H new ATOM 0 HD3 ARG A 102 9.082 -9.668 4.711 1.00 0.00 H new ATOM 0 HE ARG A 102 7.994 -10.822 6.384 1.00 0.00 H new ATOM 0 HH11 ARG A 102 8.877 -13.272 3.939 1.00 0.00 H new ATOM 0 HH12 ARG A 102 8.310 -14.596 4.962 1.00 0.00 H new ATOM 0 HH21 ARG A 102 7.474 -12.584 7.676 1.00 0.00 H new ATOM 0 HH22 ARG A 102 7.544 -14.219 7.009 1.00 0.00 H new ATOM 1060 N MET A 103 6.146 -8.678 -0.040 1.00 0.00 N ATOM 1061 CA MET A 103 6.659 -8.423 -1.400 1.00 0.00 C ATOM 1062 C MET A 103 7.372 -7.067 -1.497 1.00 0.00 C ATOM 1063 O MET A 103 6.831 -6.029 -1.106 1.00 0.00 O ATOM 1064 CB MET A 103 5.510 -8.537 -2.406 1.00 0.00 C ATOM 1065 CG MET A 103 6.027 -8.922 -3.797 1.00 0.00 C ATOM 1066 SD MET A 103 4.707 -9.295 -5.010 1.00 0.00 S ATOM 1067 CE MET A 103 3.984 -10.768 -4.318 1.00 0.00 C ATOM 0 H MET A 103 5.457 -7.997 0.280 1.00 0.00 H new ATOM 0 HA MET A 103 7.409 -9.177 -1.639 1.00 0.00 H new ATOM 0 HB2 MET A 103 4.794 -9.284 -2.062 1.00 0.00 H new ATOM 0 HB3 MET A 103 4.978 -7.588 -2.463 1.00 0.00 H new ATOM 0 HG2 MET A 103 6.640 -8.108 -4.183 1.00 0.00 H new ATOM 0 HG3 MET A 103 6.676 -9.793 -3.703 1.00 0.00 H new ATOM 0 HE1 MET A 103 3.122 -11.066 -4.915 1.00 0.00 H new ATOM 0 HE2 MET A 103 4.721 -11.571 -4.320 1.00 0.00 H new ATOM 0 HE3 MET A 103 3.665 -10.571 -3.295 1.00 0.00 H new ATOM 1069 N THR A 104 8.629 -7.163 -1.915 1.00 0.00 N ATOM 1070 CA THR A 104 9.535 -6.010 -2.098 1.00 0.00 C ATOM 1071 C THR A 104 9.631 -5.686 -3.596 1.00 0.00 C ATOM 1072 O THR A 104 10.380 -6.297 -4.356 1.00 0.00 O ATOM 1073 CB THR A 104 10.953 -6.287 -1.572 1.00 0.00 C ATOM 1074 OG1 THR A 104 10.929 -7.181 -0.454 1.00 0.00 O ATOM 1075 CG2 THR A 104 11.622 -4.974 -1.157 1.00 0.00 C ATOM 0 H THR A 104 9.065 -8.056 -2.143 1.00 0.00 H new ATOM 0 HA THR A 104 9.121 -5.176 -1.531 1.00 0.00 H new ATOM 0 HB THR A 104 11.521 -6.755 -2.376 1.00 0.00 H new ATOM 0 HG1 THR A 104 11.844 -7.340 -0.142 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.626 -5.179 -0.786 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.682 -4.308 -2.018 1.00 0.00 H new ATOM 0 HG23 THR A 104 11.034 -4.499 -0.372 1.00 0.00 H new ATOM 1078 N PHE A 105 8.894 -4.649 -3.959 1.00 0.00 N ATOM 1079 CA PHE A 105 8.769 -4.178 -5.353 1.00 0.00 C ATOM 1080 C PHE A 105 9.571 -2.874 -5.442 1.00 0.00 C ATOM 1081 O PHE A 105 9.497 -2.027 -4.552 1.00 0.00 O ATOM 1082 CB PHE A 105 7.313 -3.845 -5.724 1.00 0.00 C ATOM 1083 CG PHE A 105 6.224 -4.594 -4.944 1.00 0.00 C ATOM 1084 CD1 PHE A 105 5.949 -4.209 -3.641 1.00 0.00 C ATOM 1085 CD2 PHE A 105 5.341 -5.441 -5.596 1.00 0.00 C ATOM 1086 CE1 PHE A 105 4.795 -4.628 -3.008 1.00 0.00 C ATOM 1087 CE2 PHE A 105 4.195 -5.898 -4.951 1.00 0.00 C ATOM 1088 CZ PHE A 105 3.917 -5.487 -3.654 1.00 0.00 C ATOM 0 H PHE A 105 8.354 -4.095 -3.295 1.00 0.00 H new ATOM 0 HA PHE A 105 9.122 -4.959 -6.026 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.160 -2.775 -5.583 1.00 0.00 H new ATOM 0 HB3 PHE A 105 7.175 -4.049 -6.786 1.00 0.00 H new ATOM 0 HD1 PHE A 105 6.646 -3.574 -3.114 1.00 0.00 H new ATOM 0 HD2 PHE A 105 5.544 -5.748 -6.611 1.00 0.00 H new ATOM 0 HE1 PHE A 105 4.575 -4.286 -2.007 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.522 -6.572 -5.460 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.025 -5.833 -3.152 1.00 0.00 H new ATOM 1095 N ILE A 106 10.426 -2.772 -6.450 1.00 0.00 N ATOM 1096 CA ILE A 106 11.249 -1.555 -6.623 1.00 0.00 C ATOM 1097 C ILE A 106 10.895 -0.849 -7.941 1.00 0.00 C ATOM 1098 O ILE A 106 10.623 -1.516 -8.937 1.00 0.00 O ATOM 1099 CB ILE A 106 12.757 -1.850 -6.459 1.00 0.00 C ATOM 1100 CG1 ILE A 106 13.327 -2.767 -7.551 1.00 0.00 C ATOM 1101 CG2 ILE A 106 13.024 -2.436 -5.062 1.00 0.00 C ATOM 1102 CD1 ILE A 106 14.850 -2.649 -7.698 1.00 0.00 C ATOM 0 H ILE A 106 10.576 -3.494 -7.154 1.00 0.00 H new ATOM 0 HA ILE A 106 11.010 -0.856 -5.822 1.00 0.00 H new ATOM 0 HB ILE A 106 13.278 -0.899 -6.569 1.00 0.00 H new ATOM 0 HG12 ILE A 106 13.069 -3.801 -7.321 1.00 0.00 H new ATOM 0 HG13 ILE A 106 12.856 -2.525 -8.504 1.00 0.00 H new ATOM 0 HG21 ILE A 106 14.089 -2.642 -4.951 1.00 0.00 H new ATOM 0 HG22 ILE A 106 12.712 -1.720 -4.301 1.00 0.00 H new ATOM 0 HG23 ILE A 106 12.461 -3.361 -4.942 1.00 0.00 H new ATOM 0 HD11 ILE A 106 15.193 -3.321 -8.485 1.00 0.00 H new ATOM 0 HD12 ILE A 106 15.112 -1.623 -7.957 1.00 0.00 H new ATOM 0 HD13 ILE A 106 15.328 -2.919 -6.756 1.00 0.00 H new ATOM 1104 N LYS A 107 10.706 0.469 -7.871 1.00 0.00 N ATOM 1105 CA LYS A 107 10.271 1.329 -8.999 1.00 0.00 C ATOM 1106 C LYS A 107 11.315 1.391 -10.133 1.00 0.00 C ATOM 1107 O LYS A 107 12.139 2.295 -10.215 1.00 0.00 O ATOM 1108 CB LYS A 107 9.918 2.722 -8.443 1.00 0.00 C ATOM 1109 CG LYS A 107 9.383 3.723 -9.474 1.00 0.00 C ATOM 1110 CD LYS A 107 7.959 3.415 -9.952 1.00 0.00 C ATOM 1111 CE LYS A 107 7.490 4.417 -11.015 1.00 0.00 C ATOM 1112 NZ LYS A 107 7.487 5.806 -10.525 1.00 0.00 N ATOM 0 H LYS A 107 10.852 0.993 -7.009 1.00 0.00 H new ATOM 0 HA LYS A 107 9.385 0.893 -9.461 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.173 2.603 -7.656 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.808 3.146 -7.978 1.00 0.00 H new ATOM 0 HG2 LYS A 107 9.403 4.723 -9.040 1.00 0.00 H new ATOM 0 HG3 LYS A 107 10.051 3.736 -10.335 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.923 2.406 -10.362 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.276 3.439 -9.103 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.139 4.345 -11.888 1.00 0.00 H new ATOM 0 HE3 LYS A 107 6.485 4.149 -11.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 7.021 6.420 -11.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.971 5.855 -9.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.466 6.126 -10.382 1.00 0.00 H new ATOM 1117 N HIS A 108 11.313 0.283 -10.870 1.00 0.00 N ATOM 1118 CA HIS A 108 12.103 -0.086 -12.069 1.00 0.00 C ATOM 1119 C HIS A 108 13.030 -1.242 -11.676 1.00 0.00 C ATOM 1120 O HIS A 108 13.683 -1.207 -10.633 1.00 0.00 O ATOM 1121 CB HIS A 108 12.900 1.035 -12.765 1.00 0.00 C ATOM 1122 CG HIS A 108 12.028 2.224 -13.201 1.00 0.00 C ATOM 1123 ND1 HIS A 108 10.701 2.243 -13.313 1.00 0.00 N ATOM 1124 CD2 HIS A 108 12.477 3.426 -13.549 1.00 0.00 C ATOM 1125 CE1 HIS A 108 10.333 3.449 -13.732 1.00 0.00 C ATOM 1126 NE2 HIS A 108 11.432 4.179 -13.886 1.00 0.00 N ATOM 0 H HIS A 108 10.683 -0.479 -10.619 1.00 0.00 H new ATOM 0 HA HIS A 108 11.373 -0.361 -12.830 1.00 0.00 H new ATOM 0 HB2 HIS A 108 13.677 1.392 -12.089 1.00 0.00 H new ATOM 0 HB3 HIS A 108 13.404 0.623 -13.640 1.00 0.00 H new ATOM 0 HD2 HIS A 108 13.511 3.738 -13.557 1.00 0.00 H new ATOM 0 HE1 HIS A 108 9.320 3.777 -13.915 1.00 0.00 H new ATOM 0 HE2 HIS A 108 11.469 5.147 -14.206 1.00 0.00 H new ATOM 1129 N LYS A 109 12.867 -2.342 -12.412 1.00 0.00 N ATOM 1130 CA LYS A 109 13.483 -3.666 -12.135 1.00 0.00 C ATOM 1131 C LYS A 109 13.017 -4.281 -10.786 1.00 0.00 C ATOM 1132 O LYS A 109 13.519 -5.370 -10.423 1.00 99.99 O ATOM 1133 CG LYS A 109 15.755 -4.881 -12.425 1.00 0.00 C ATOM 1134 CD LYS A 109 15.375 -5.587 -13.732 1.00 0.00 C ATOM 1135 CE LYS A 109 15.979 -6.991 -13.828 1.00 0.00 C ATOM 1136 NZ LYS A 109 17.446 -6.967 -13.937 1.00 0.00 N ATOM 1137 OXT LYS A 109 11.985 -3.789 -10.273 1.00 99.99 O ATOM 0 H LYS A 109 12.285 -2.349 -13.249 1.00 0.00 H new ATOM 0 HD2 LYS A 109 14.289 -5.655 -13.804 1.00 0.00 H new ATOM 0 HD3 LYS A 109 15.714 -4.989 -14.578 1.00 0.00 H new ATOM 0 HE2 LYS A 109 15.693 -7.567 -12.948 1.00 0.00 H new ATOM 0 HE3 LYS A 109 15.562 -7.504 -14.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 17.805 -7.941 -13.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 17.722 -6.441 -14.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 17.849 -6.502 -13.098 1.00 0.00 H new TER 1142 LYS A 109