USER MOD reduce.3.24.130724 H: found=0, std=0, add=1306, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1306 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 74 MET CE :methyl -170:sc= 0 (180deg=-0.0354) USER MOD Set 1.2: B 74 MET CE :methyl -176:sc= 0 (180deg=-0.00788) USER MOD Set 2.1: B 15 HIS : no HD1:sc= -0.859 K(o=-0.85,f=-2.1!) USER MOD Set 2.2: B 24 LYS NZ :NH3+ -158:sc= 0.0121 (180deg=0) USER MOD Set 3.1: A 15 HIS : no HD1:sc= -0.656 K(o=-0.64,f=-1.8) USER MOD Set 3.2: A 24 LYS NZ :NH3+ -161:sc= 0.0195 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 44:sc= 0.744! USER MOD Single : A 5 LYS NZ :NH3+ 163:sc= -0.0174 (180deg=-0.284) USER MOD Single : A 7 MET CE :methyl -116:sc= 0 (180deg=-2.42!) USER MOD Single : A 16 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.19) USER MOD Single : A 17 TYR OH : rot -115:sc= 0.0024 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HE2:sc= -2.9 K(o=-2.9,f=-4.9!) USER MOD Single : A 26 LYS NZ :NH3+ -156:sc= -0.113 (180deg=-0.85) USER MOD Single : A 28 LYS NZ :NH3+ -113:sc= -1.41 (180deg=-3.52!) USER MOD Single : A 29 LYS NZ :NH3+ 159:sc= -0.126 (180deg=-0.901) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00622) USER MOD Single : A 37 ASN : amide:sc= -0.945 K(o=-0.95,f=-1.5!) USER MOD Single : A 38 ASN : amide:sc= -0.0349 X(o=-0.035,f=0.065) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.35 X(o=-0.35,f=-0.093) USER MOD Single : A 48 LYS NZ :NH3+ -117:sc= -0.749 (180deg=-2.72!) USER MOD Single : A 50 GLN : amide:sc= -3.52! C(o=-3.5!,f=-6.3!) USER MOD Single : A 55 LYS NZ :NH3+ -161:sc= -0.0183 (180deg=-0.4) USER MOD Single : A 57 MET CE :methyl -162:sc= -0.37 (180deg=-1.15) USER MOD Single : A 59 THR OG1 : rot 74:sc= 0.00117 USER MOD Single : A 68 CYS SG : rot -170:sc= -1.27 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 78 SER OG : rot -45:sc= 0.466 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 66:sc= 0.338 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.276 USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : B 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 SER OG : rot 46:sc= 0.63 USER MOD Single : B 5 LYS NZ :NH3+ 163:sc= -0.0411 (180deg=-0.325) USER MOD Single : B 7 MET CE :methyl -122:sc= 0 (180deg=-2.2) USER MOD Single : B 16 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.13) USER MOD Single : B 17 TYR OH : rot -115:sc= 0.00297 USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 25 HIS : no HE2:sc= -2.96 K(o=-3,f=-4.9!) USER MOD Single : B 26 LYS NZ :NH3+ -138:sc= -0.0658 (180deg=-0.786) USER MOD Single : B 28 LYS NZ :NH3+ -117:sc= -1.48 (180deg=-3.48!) USER MOD Single : B 29 LYS NZ :NH3+ 161:sc= -0.121 (180deg=-0.909) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 ASN : amide:sc= -0.971 K(o=-0.97,f=-1.5!) USER MOD Single : B 38 ASN : amide:sc= -0.0329 X(o=-0.033,f=0.051) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 HIS : no HD1:sc= -0.281 X(o=-0.28,f=-0.092) USER MOD Single : B 48 LYS NZ :NH3+ -116:sc= -0.871 (180deg=-2.96!) USER MOD Single : B 50 GLN : amide:sc= -3.56! C(o=-3.6!,f=-6.4!) USER MOD Single : B 55 LYS NZ :NH3+ -163:sc= -0.0345 (180deg=-0.398) USER MOD Single : B 57 MET CE :methyl -163:sc= -0.246 (180deg=-1.01) USER MOD Single : B 59 THR OG1 : rot 76:sc= 0.00215 USER MOD Single : B 68 CYS SG : rot 180:sc= -1.21 USER MOD Single : B 71 GLN : amide:sc=-0.00638 K(o=-0.0064,f=-1.6!) USER MOD Single : B 78 SER OG : rot -49:sc= 0.253 USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 81 THR OG1 : rot 67:sc= 0.339 USER MOD Single : B 82 THR OG1 : rot 180:sc= -0.283 USER MOD Single : B 84 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 68.053 12.673 -11.764 1.00 0.00 N ATOM 2 CA SER A 1 68.648 12.050 -10.547 1.00 0.00 C ATOM 3 C SER A 1 68.034 10.664 -10.333 1.00 0.00 C ATOM 4 O SER A 1 67.333 10.424 -9.370 1.00 0.00 O ATOM 5 CB SER A 1 68.366 12.933 -9.332 1.00 0.00 C ATOM 6 OG SER A 1 66.986 12.853 -9.000 1.00 0.00 O ATOM 0 H1 SER A 1 68.469 13.615 -11.911 1.00 0.00 H new ATOM 0 H2 SER A 1 68.250 12.075 -12.592 1.00 0.00 H new ATOM 0 H3 SER A 1 67.025 12.765 -11.640 1.00 0.00 H new ATOM 0 HA SER A 1 69.726 11.951 -10.677 1.00 0.00 H new ATOM 0 HB2 SER A 1 68.974 12.612 -8.486 1.00 0.00 H new ATOM 0 HB3 SER A 1 68.640 13.966 -9.548 1.00 0.00 H new ATOM 0 HG SER A 1 66.694 11.918 -9.039 1.00 0.00 H new ATOM 14 N GLU A 2 68.291 9.756 -11.232 1.00 0.00 N ATOM 15 CA GLU A 2 67.730 8.379 -11.104 1.00 0.00 C ATOM 16 C GLU A 2 68.217 7.739 -9.802 1.00 0.00 C ATOM 17 O GLU A 2 67.515 6.968 -9.177 1.00 0.00 O ATOM 18 CB GLU A 2 68.195 7.529 -12.294 1.00 0.00 C ATOM 19 CG GLU A 2 67.510 8.004 -13.581 1.00 0.00 C ATOM 20 CD GLU A 2 68.142 9.317 -14.051 1.00 0.00 C ATOM 21 OE1 GLU A 2 69.164 9.694 -13.501 1.00 0.00 O ATOM 22 OE2 GLU A 2 67.590 9.926 -14.953 1.00 0.00 O ATOM 0 H GLU A 2 68.870 9.909 -12.057 1.00 0.00 H new ATOM 0 HA GLU A 2 66.641 8.433 -11.093 1.00 0.00 H new ATOM 0 HB2 GLU A 2 69.277 7.601 -12.401 1.00 0.00 H new ATOM 0 HB3 GLU A 2 67.961 6.480 -12.115 1.00 0.00 H new ATOM 0 HG2 GLU A 2 67.607 7.245 -14.357 1.00 0.00 H new ATOM 0 HG3 GLU A 2 66.444 8.146 -13.405 1.00 0.00 H new ATOM 29 N LEU A 3 69.411 8.055 -9.382 1.00 0.00 N ATOM 30 CA LEU A 3 69.949 7.475 -8.118 1.00 0.00 C ATOM 31 C LEU A 3 69.173 8.026 -6.919 1.00 0.00 C ATOM 32 O LEU A 3 68.960 7.338 -5.940 1.00 0.00 O ATOM 33 CB LEU A 3 71.430 7.852 -7.989 1.00 0.00 C ATOM 34 CG LEU A 3 72.026 7.274 -6.695 1.00 0.00 C ATOM 35 CD1 LEU A 3 71.945 5.739 -6.711 1.00 0.00 C ATOM 36 CD2 LEU A 3 73.490 7.718 -6.587 1.00 0.00 C ATOM 0 H LEU A 3 70.042 8.695 -9.864 1.00 0.00 H new ATOM 0 HA LEU A 3 69.842 6.390 -8.139 1.00 0.00 H new ATOM 0 HB2 LEU A 3 71.983 7.476 -8.850 1.00 0.00 H new ATOM 0 HB3 LEU A 3 71.536 8.937 -7.991 1.00 0.00 H new ATOM 0 HG LEU A 3 71.462 7.640 -5.837 1.00 0.00 H new ATOM 0 HD11 LEU A 3 72.370 5.343 -5.789 1.00 0.00 H new ATOM 0 HD12 LEU A 3 70.903 5.430 -6.792 1.00 0.00 H new ATOM 0 HD13 LEU A 3 72.504 5.354 -7.564 1.00 0.00 H new ATOM 0 HD21 LEU A 3 73.926 7.315 -5.673 1.00 0.00 H new ATOM 0 HD22 LEU A 3 74.047 7.349 -7.448 1.00 0.00 H new ATOM 0 HD23 LEU A 3 73.539 8.807 -6.563 1.00 0.00 H new ATOM 48 N GLU A 4 68.743 9.257 -6.983 1.00 0.00 N ATOM 49 CA GLU A 4 67.981 9.833 -5.840 1.00 0.00 C ATOM 50 C GLU A 4 66.701 9.023 -5.628 1.00 0.00 C ATOM 51 O GLU A 4 66.308 8.746 -4.513 1.00 0.00 O ATOM 52 CB GLU A 4 67.635 11.295 -6.151 1.00 0.00 C ATOM 53 CG GLU A 4 66.866 11.926 -4.983 1.00 0.00 C ATOM 54 CD GLU A 4 67.765 11.991 -3.746 1.00 0.00 C ATOM 55 OE1 GLU A 4 68.968 11.852 -3.900 1.00 0.00 O ATOM 56 OE2 GLU A 4 67.235 12.182 -2.664 1.00 0.00 O ATOM 0 H GLU A 4 68.886 9.886 -7.774 1.00 0.00 H new ATOM 0 HA GLU A 4 68.583 9.793 -4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 4 68.549 11.859 -6.339 1.00 0.00 H new ATOM 0 HB3 GLU A 4 67.035 11.347 -7.060 1.00 0.00 H new ATOM 0 HG2 GLU A 4 66.532 12.927 -5.254 1.00 0.00 H new ATOM 0 HG3 GLU A 4 65.973 11.340 -4.765 1.00 0.00 H new ATOM 63 N LYS A 5 66.045 8.645 -6.690 1.00 0.00 N ATOM 64 CA LYS A 5 64.784 7.858 -6.557 1.00 0.00 C ATOM 65 C LYS A 5 65.064 6.545 -5.826 1.00 0.00 C ATOM 66 O LYS A 5 64.278 6.094 -5.016 1.00 0.00 O ATOM 67 CB LYS A 5 64.217 7.550 -7.943 1.00 0.00 C ATOM 68 CG LYS A 5 63.688 8.836 -8.585 1.00 0.00 C ATOM 69 CD LYS A 5 63.124 8.514 -9.970 1.00 0.00 C ATOM 70 CE LYS A 5 62.593 9.792 -10.617 1.00 0.00 C ATOM 71 NZ LYS A 5 63.735 10.686 -10.953 1.00 0.00 N ATOM 0 H LYS A 5 66.328 8.848 -7.649 1.00 0.00 H new ATOM 0 HA LYS A 5 64.062 8.444 -5.988 1.00 0.00 H new ATOM 0 HB2 LYS A 5 64.990 7.110 -8.573 1.00 0.00 H new ATOM 0 HB3 LYS A 5 63.415 6.816 -7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 5 62.913 9.277 -7.958 1.00 0.00 H new ATOM 0 HG3 LYS A 5 64.489 9.571 -8.667 1.00 0.00 H new ATOM 0 HD2 LYS A 5 63.900 8.073 -10.596 1.00 0.00 H new ATOM 0 HD3 LYS A 5 62.325 7.778 -9.886 1.00 0.00 H new ATOM 0 HE2 LYS A 5 62.029 9.550 -11.518 1.00 0.00 H new ATOM 0 HE3 LYS A 5 61.907 10.299 -9.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 63.423 11.405 -11.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 64.076 11.154 -10.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 64.505 10.124 -11.369 1.00 0.00 H new ATOM 85 N ALA A 6 66.171 5.923 -6.113 1.00 0.00 N ATOM 86 CA ALA A 6 66.491 4.633 -5.440 1.00 0.00 C ATOM 87 C ALA A 6 66.564 4.861 -3.930 1.00 0.00 C ATOM 88 O ALA A 6 66.034 4.094 -3.151 1.00 0.00 O ATOM 89 CB ALA A 6 67.841 4.116 -5.946 1.00 0.00 C ATOM 0 H ALA A 6 66.868 6.250 -6.783 1.00 0.00 H new ATOM 0 HA ALA A 6 65.717 3.899 -5.663 1.00 0.00 H new ATOM 0 HB1 ALA A 6 68.077 3.172 -5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 6 67.791 3.961 -7.024 1.00 0.00 H new ATOM 0 HB3 ALA A 6 68.618 4.846 -5.720 1.00 0.00 H new ATOM 95 N MET A 7 67.203 5.915 -3.509 1.00 0.00 N ATOM 96 CA MET A 7 67.290 6.190 -2.050 1.00 0.00 C ATOM 97 C MET A 7 65.895 6.534 -1.522 1.00 0.00 C ATOM 98 O MET A 7 65.452 6.024 -0.512 1.00 0.00 O ATOM 99 CB MET A 7 68.216 7.385 -1.825 1.00 0.00 C ATOM 100 CG MET A 7 69.610 7.065 -2.369 1.00 0.00 C ATOM 101 SD MET A 7 70.693 8.489 -2.102 1.00 0.00 S ATOM 102 CE MET A 7 72.193 7.812 -2.861 1.00 0.00 C ATOM 0 H MET A 7 67.667 6.596 -4.110 1.00 0.00 H new ATOM 0 HA MET A 7 67.678 5.315 -1.529 1.00 0.00 H new ATOM 0 HB2 MET A 7 67.814 8.268 -2.323 1.00 0.00 H new ATOM 0 HB3 MET A 7 68.274 7.617 -0.762 1.00 0.00 H new ATOM 0 HG2 MET A 7 70.016 6.185 -1.869 1.00 0.00 H new ATOM 0 HG3 MET A 7 69.554 6.830 -3.432 1.00 0.00 H new ATOM 0 HE1 MET A 7 72.970 7.710 -2.103 1.00 0.00 H new ATOM 0 HE2 MET A 7 71.974 6.834 -3.290 1.00 0.00 H new ATOM 0 HE3 MET A 7 72.538 8.484 -3.647 1.00 0.00 H new ATOM 112 N VAL A 8 65.210 7.415 -2.201 1.00 0.00 N ATOM 113 CA VAL A 8 63.849 7.832 -1.758 1.00 0.00 C ATOM 114 C VAL A 8 62.897 6.630 -1.732 1.00 0.00 C ATOM 115 O VAL A 8 62.083 6.500 -0.840 1.00 0.00 O ATOM 116 CB VAL A 8 63.320 8.890 -2.732 1.00 0.00 C ATOM 117 CG1 VAL A 8 61.838 9.164 -2.463 1.00 0.00 C ATOM 118 CG2 VAL A 8 64.117 10.185 -2.553 1.00 0.00 C ATOM 0 H VAL A 8 65.540 7.868 -3.053 1.00 0.00 H new ATOM 0 HA VAL A 8 63.907 8.243 -0.750 1.00 0.00 H new ATOM 0 HB VAL A 8 63.432 8.523 -3.752 1.00 0.00 H new ATOM 0 HG11 VAL A 8 61.475 9.917 -3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 8 61.268 8.244 -2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 8 61.714 9.526 -1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 8 63.744 10.940 -3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 8 64.005 10.543 -1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 8 65.171 9.995 -2.758 1.00 0.00 H new ATOM 128 N ALA A 9 62.971 5.761 -2.702 1.00 0.00 N ATOM 129 CA ALA A 9 62.048 4.593 -2.715 1.00 0.00 C ATOM 130 C ALA A 9 62.248 3.749 -1.455 1.00 0.00 C ATOM 131 O ALA A 9 61.304 3.251 -0.874 1.00 0.00 O ATOM 132 CB ALA A 9 62.332 3.738 -3.952 1.00 0.00 C ATOM 0 H ALA A 9 63.627 5.809 -3.482 1.00 0.00 H new ATOM 0 HA ALA A 9 61.019 4.951 -2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 9 61.658 2.882 -3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 9 62.177 4.335 -4.851 1.00 0.00 H new ATOM 0 HB3 ALA A 9 63.364 3.387 -3.923 1.00 0.00 H new ATOM 138 N LEU A 10 63.469 3.557 -1.045 1.00 0.00 N ATOM 139 CA LEU A 10 63.726 2.715 0.159 1.00 0.00 C ATOM 140 C LEU A 10 63.030 3.305 1.391 1.00 0.00 C ATOM 141 O LEU A 10 62.478 2.582 2.197 1.00 0.00 O ATOM 142 CB LEU A 10 65.236 2.652 0.419 1.00 0.00 C ATOM 143 CG LEU A 10 65.942 1.877 -0.707 1.00 0.00 C ATOM 144 CD1 LEU A 10 67.459 2.031 -0.545 1.00 0.00 C ATOM 145 CD2 LEU A 10 65.564 0.383 -0.654 1.00 0.00 C ATOM 0 H LEU A 10 64.301 3.945 -1.490 1.00 0.00 H new ATOM 0 HA LEU A 10 63.332 1.715 -0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 10 65.643 3.661 0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 10 65.427 2.168 1.377 1.00 0.00 H new ATOM 0 HG LEU A 10 65.627 2.280 -1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 10 67.967 1.484 -1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 10 67.726 3.086 -0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 10 67.764 1.632 0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 10 66.072 -0.150 -1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 10 65.866 -0.035 0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 10 64.486 0.276 -0.773 1.00 0.00 H new ATOM 157 N ILE A 11 63.055 4.598 1.564 1.00 0.00 N ATOM 158 CA ILE A 11 62.396 5.185 2.767 1.00 0.00 C ATOM 159 C ILE A 11 60.905 4.829 2.754 1.00 0.00 C ATOM 160 O ILE A 11 60.360 4.351 3.729 1.00 0.00 O ATOM 161 CB ILE A 11 62.562 6.708 2.732 1.00 0.00 C ATOM 162 CG1 ILE A 11 64.040 7.063 2.926 1.00 0.00 C ATOM 163 CG2 ILE A 11 61.738 7.354 3.851 1.00 0.00 C ATOM 164 CD1 ILE A 11 64.255 8.541 2.593 1.00 0.00 C ATOM 0 H ILE A 11 63.497 5.267 0.934 1.00 0.00 H new ATOM 0 HA ILE A 11 62.853 4.787 3.673 1.00 0.00 H new ATOM 0 HB ILE A 11 62.213 7.081 1.769 1.00 0.00 H new ATOM 0 HG12 ILE A 11 64.342 6.863 3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 11 64.663 6.440 2.284 1.00 0.00 H new ATOM 0 HG21 ILE A 11 61.863 8.436 3.817 1.00 0.00 H new ATOM 0 HG22 ILE A 11 60.685 7.106 3.717 1.00 0.00 H new ATOM 0 HG23 ILE A 11 62.079 6.980 4.816 1.00 0.00 H new ATOM 0 HD11 ILE A 11 65.306 8.796 2.730 1.00 0.00 H new ATOM 0 HD12 ILE A 11 63.969 8.726 1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 11 63.643 9.156 3.254 1.00 0.00 H new ATOM 176 N ASP A 12 60.243 5.065 1.655 1.00 0.00 N ATOM 177 CA ASP A 12 58.788 4.747 1.579 1.00 0.00 C ATOM 178 C ASP A 12 58.581 3.248 1.809 1.00 0.00 C ATOM 179 O ASP A 12 57.658 2.830 2.480 1.00 0.00 O ATOM 180 CB ASP A 12 58.262 5.117 0.192 1.00 0.00 C ATOM 181 CG ASP A 12 58.241 6.638 0.041 1.00 0.00 C ATOM 182 OD1 ASP A 12 58.084 7.314 1.044 1.00 0.00 O ATOM 183 OD2 ASP A 12 58.381 7.101 -1.079 1.00 0.00 O ATOM 0 H ASP A 12 60.646 5.464 0.807 1.00 0.00 H new ATOM 0 HA ASP A 12 58.252 5.313 2.341 1.00 0.00 H new ATOM 0 HB2 ASP A 12 58.894 4.674 -0.578 1.00 0.00 H new ATOM 0 HB3 ASP A 12 57.259 4.714 0.053 1.00 0.00 H new ATOM 188 N VAL A 13 59.444 2.439 1.260 1.00 0.00 N ATOM 189 CA VAL A 13 59.311 0.965 1.444 1.00 0.00 C ATOM 190 C VAL A 13 59.528 0.611 2.915 1.00 0.00 C ATOM 191 O VAL A 13 58.754 -0.109 3.513 1.00 0.00 O ATOM 192 CB VAL A 13 60.352 0.245 0.577 1.00 0.00 C ATOM 193 CG1 VAL A 13 60.400 -1.243 0.941 1.00 0.00 C ATOM 194 CG2 VAL A 13 59.961 0.389 -0.895 1.00 0.00 C ATOM 0 H VAL A 13 60.237 2.735 0.691 1.00 0.00 H new ATOM 0 HA VAL A 13 58.312 0.649 1.143 1.00 0.00 H new ATOM 0 HB VAL A 13 61.333 0.688 0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 13 61.142 -1.746 0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 13 60.671 -1.352 1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 13 59.421 -1.691 0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 13 60.696 -0.120 -1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 13 58.979 -0.055 -1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 13 59.929 1.445 -1.161 1.00 0.00 H new ATOM 204 N PHE A 14 60.580 1.106 3.501 1.00 0.00 N ATOM 205 CA PHE A 14 60.846 0.787 4.929 1.00 0.00 C ATOM 206 C PHE A 14 59.674 1.275 5.786 1.00 0.00 C ATOM 207 O PHE A 14 59.131 0.541 6.587 1.00 0.00 O ATOM 208 CB PHE A 14 62.133 1.501 5.357 1.00 0.00 C ATOM 209 CG PHE A 14 62.489 1.133 6.780 1.00 0.00 C ATOM 210 CD1 PHE A 14 61.985 1.884 7.849 1.00 0.00 C ATOM 211 CD2 PHE A 14 63.335 0.045 7.028 1.00 0.00 C ATOM 212 CE1 PHE A 14 62.327 1.545 9.165 1.00 0.00 C ATOM 213 CE2 PHE A 14 63.677 -0.292 8.344 1.00 0.00 C ATOM 214 CZ PHE A 14 63.173 0.458 9.413 1.00 0.00 C ATOM 0 H PHE A 14 61.265 1.716 3.055 1.00 0.00 H new ATOM 0 HA PHE A 14 60.958 -0.289 5.060 1.00 0.00 H new ATOM 0 HB2 PHE A 14 62.949 1.227 4.688 1.00 0.00 H new ATOM 0 HB3 PHE A 14 62.003 2.580 5.275 1.00 0.00 H new ATOM 0 HD1 PHE A 14 61.333 2.724 7.659 1.00 0.00 H new ATOM 0 HD2 PHE A 14 63.724 -0.535 6.204 1.00 0.00 H new ATOM 0 HE1 PHE A 14 61.937 2.124 9.989 1.00 0.00 H new ATOM 0 HE2 PHE A 14 64.330 -1.131 8.534 1.00 0.00 H new ATOM 0 HZ PHE A 14 63.437 0.198 10.428 1.00 0.00 H new ATOM 224 N HIS A 15 59.313 2.525 5.660 1.00 0.00 N ATOM 225 CA HIS A 15 58.217 3.081 6.503 1.00 0.00 C ATOM 226 C HIS A 15 56.894 2.342 6.289 1.00 0.00 C ATOM 227 O HIS A 15 56.176 2.096 7.236 1.00 0.00 O ATOM 228 CB HIS A 15 58.027 4.567 6.161 1.00 0.00 C ATOM 229 CG HIS A 15 56.830 5.118 6.895 1.00 0.00 C ATOM 230 ND1 HIS A 15 56.758 5.164 8.282 1.00 0.00 N ATOM 231 CD2 HIS A 15 55.644 5.644 6.441 1.00 0.00 C ATOM 232 CE1 HIS A 15 55.565 5.699 8.607 1.00 0.00 C ATOM 233 NE2 HIS A 15 54.851 6.006 7.523 1.00 0.00 N ATOM 0 H HIS A 15 59.733 3.186 5.007 1.00 0.00 H new ATOM 0 HA HIS A 15 58.501 2.956 7.548 1.00 0.00 H new ATOM 0 HB2 HIS A 15 58.921 5.128 6.434 1.00 0.00 H new ATOM 0 HB3 HIS A 15 57.891 4.686 5.086 1.00 0.00 H new ATOM 0 HD2 HIS A 15 55.370 5.758 5.402 1.00 0.00 H new ATOM 0 HE1 HIS A 15 55.228 5.860 9.621 1.00 0.00 H new ATOM 0 HE2 HIS A 15 53.919 6.419 7.494 1.00 0.00 H new ATOM 242 N GLN A 16 56.535 1.983 5.088 1.00 0.00 N ATOM 243 CA GLN A 16 55.236 1.271 4.913 1.00 0.00 C ATOM 244 C GLN A 16 55.322 -0.147 5.482 1.00 0.00 C ATOM 245 O GLN A 16 54.395 -0.641 6.092 1.00 0.00 O ATOM 246 CB GLN A 16 54.897 1.198 3.419 1.00 0.00 C ATOM 247 CG GLN A 16 53.502 0.589 3.227 1.00 0.00 C ATOM 248 CD GLN A 16 52.445 1.535 3.798 1.00 0.00 C ATOM 249 OE1 GLN A 16 52.200 2.593 3.252 1.00 0.00 O ATOM 250 NE2 GLN A 16 51.808 1.200 4.887 1.00 0.00 N ATOM 0 H GLN A 16 57.071 2.147 4.236 1.00 0.00 H new ATOM 0 HA GLN A 16 54.459 1.818 5.447 1.00 0.00 H new ATOM 0 HB2 GLN A 16 54.931 2.195 2.981 1.00 0.00 H new ATOM 0 HB3 GLN A 16 55.641 0.595 2.898 1.00 0.00 H new ATOM 0 HG2 GLN A 16 53.313 0.414 2.168 1.00 0.00 H new ATOM 0 HG3 GLN A 16 53.445 -0.379 3.725 1.00 0.00 H new ATOM 0 HE21 GLN A 16 52.013 0.312 5.345 1.00 0.00 H new ATOM 0 HE22 GLN A 16 51.105 1.826 5.280 1.00 0.00 H new ATOM 259 N TYR A 17 56.425 -0.808 5.272 1.00 0.00 N ATOM 260 CA TYR A 17 56.565 -2.200 5.785 1.00 0.00 C ATOM 261 C TYR A 17 56.855 -2.193 7.291 1.00 0.00 C ATOM 262 O TYR A 17 56.232 -2.910 8.048 1.00 0.00 O ATOM 263 CB TYR A 17 57.699 -2.914 5.024 1.00 0.00 C ATOM 264 CG TYR A 17 57.155 -3.557 3.764 1.00 0.00 C ATOM 265 CD1 TYR A 17 56.661 -4.867 3.814 1.00 0.00 C ATOM 266 CD2 TYR A 17 57.143 -2.852 2.552 1.00 0.00 C ATOM 267 CE1 TYR A 17 56.156 -5.471 2.657 1.00 0.00 C ATOM 268 CE2 TYR A 17 56.637 -3.460 1.395 1.00 0.00 C ATOM 269 CZ TYR A 17 56.143 -4.769 1.448 1.00 0.00 C ATOM 270 OH TYR A 17 55.645 -5.367 0.308 1.00 0.00 O ATOM 0 H TYR A 17 57.235 -0.446 4.768 1.00 0.00 H new ATOM 0 HA TYR A 17 55.629 -2.735 5.623 1.00 0.00 H new ATOM 0 HB2 TYR A 17 58.482 -2.200 4.769 1.00 0.00 H new ATOM 0 HB3 TYR A 17 58.154 -3.672 5.661 1.00 0.00 H new ATOM 0 HD1 TYR A 17 56.670 -5.411 4.747 1.00 0.00 H new ATOM 0 HD2 TYR A 17 57.523 -1.842 2.510 1.00 0.00 H new ATOM 0 HE1 TYR A 17 55.776 -6.481 2.698 1.00 0.00 H new ATOM 0 HE2 TYR A 17 56.628 -2.918 0.461 1.00 0.00 H new ATOM 0 HH TYR A 17 56.368 -5.484 -0.343 1.00 0.00 H new ATOM 280 N SER A 18 57.793 -1.403 7.735 1.00 0.00 N ATOM 281 CA SER A 18 58.111 -1.372 9.190 1.00 0.00 C ATOM 282 C SER A 18 57.070 -0.539 9.939 1.00 0.00 C ATOM 283 O SER A 18 56.905 -0.667 11.136 1.00 0.00 O ATOM 284 CB SER A 18 59.496 -0.760 9.393 1.00 0.00 C ATOM 285 OG SER A 18 59.749 -0.625 10.785 1.00 0.00 O ATOM 0 H SER A 18 58.352 -0.778 7.154 1.00 0.00 H new ATOM 0 HA SER A 18 58.097 -2.390 9.580 1.00 0.00 H new ATOM 0 HB2 SER A 18 60.256 -1.391 8.933 1.00 0.00 H new ATOM 0 HB3 SER A 18 59.552 0.213 8.905 1.00 0.00 H new ATOM 0 HG SER A 18 60.637 -0.234 10.920 1.00 0.00 H new ATOM 291 N GLY A 19 56.356 0.308 9.246 1.00 0.00 N ATOM 292 CA GLY A 19 55.315 1.145 9.914 1.00 0.00 C ATOM 293 C GLY A 19 53.973 0.409 9.892 1.00 0.00 C ATOM 294 O GLY A 19 52.943 0.973 10.205 1.00 0.00 O ATOM 0 H GLY A 19 56.449 0.457 8.241 1.00 0.00 H new ATOM 0 HA2 GLY A 19 55.609 1.356 10.942 1.00 0.00 H new ATOM 0 HA3 GLY A 19 55.224 2.104 9.405 1.00 0.00 H new ATOM 298 N ARG A 20 53.972 -0.849 9.532 1.00 0.00 N ATOM 299 CA ARG A 20 52.693 -1.614 9.502 1.00 0.00 C ATOM 300 C ARG A 20 52.388 -2.115 10.918 1.00 0.00 C ATOM 301 O ARG A 20 51.263 -2.078 11.378 1.00 0.00 O ATOM 302 CB ARG A 20 52.835 -2.800 8.544 1.00 0.00 C ATOM 303 CG ARG A 20 51.466 -3.447 8.312 1.00 0.00 C ATOM 304 CD ARG A 20 51.584 -4.509 7.217 1.00 0.00 C ATOM 305 NE ARG A 20 52.365 -5.670 7.728 1.00 0.00 N ATOM 306 CZ ARG A 20 52.855 -6.546 6.894 1.00 0.00 C ATOM 307 NH1 ARG A 20 52.687 -6.391 5.610 1.00 0.00 N ATOM 308 NH2 ARG A 20 53.515 -7.577 7.346 1.00 0.00 N ATOM 0 H ARG A 20 54.801 -1.377 9.258 1.00 0.00 H new ATOM 0 HA ARG A 20 51.879 -0.977 9.157 1.00 0.00 H new ATOM 0 HB2 ARG A 20 53.254 -2.465 7.595 1.00 0.00 H new ATOM 0 HB3 ARG A 20 53.528 -3.532 8.958 1.00 0.00 H new ATOM 0 HG2 ARG A 20 51.104 -3.900 9.235 1.00 0.00 H new ATOM 0 HG3 ARG A 20 50.738 -2.689 8.022 1.00 0.00 H new ATOM 0 HD2 ARG A 20 50.592 -4.835 6.904 1.00 0.00 H new ATOM 0 HD3 ARG A 20 52.073 -4.087 6.339 1.00 0.00 H new ATOM 0 HE ARG A 20 52.517 -5.780 8.731 1.00 0.00 H new ATOM 0 HH11 ARG A 20 52.172 -5.584 5.257 1.00 0.00 H new ATOM 0 HH12 ARG A 20 53.070 -7.076 4.959 1.00 0.00 H new ATOM 0 HH21 ARG A 20 53.647 -7.698 8.350 1.00 0.00 H new ATOM 0 HH22 ARG A 20 53.898 -8.262 6.695 1.00 0.00 H new ATOM 322 N GLU A 21 53.400 -2.565 11.615 1.00 0.00 N ATOM 323 CA GLU A 21 53.215 -3.056 13.012 1.00 0.00 C ATOM 324 C GLU A 21 54.483 -2.766 13.815 1.00 0.00 C ATOM 325 O GLU A 21 55.573 -2.738 13.280 1.00 0.00 O ATOM 326 CB GLU A 21 52.967 -4.567 13.023 1.00 0.00 C ATOM 327 CG GLU A 21 51.587 -4.884 12.446 1.00 0.00 C ATOM 328 CD GLU A 21 51.372 -6.400 12.472 1.00 0.00 C ATOM 329 OE1 GLU A 21 52.328 -7.106 12.740 1.00 0.00 O ATOM 330 OE2 GLU A 21 50.256 -6.827 12.226 1.00 0.00 O ATOM 0 H GLU A 21 54.359 -2.613 11.270 1.00 0.00 H new ATOM 0 HA GLU A 21 52.356 -2.548 13.450 1.00 0.00 H new ATOM 0 HB2 GLU A 21 53.737 -5.073 12.440 1.00 0.00 H new ATOM 0 HB3 GLU A 21 53.038 -4.946 14.042 1.00 0.00 H new ATOM 0 HG2 GLU A 21 50.812 -4.384 13.027 1.00 0.00 H new ATOM 0 HG3 GLU A 21 51.511 -4.510 11.425 1.00 0.00 H new ATOM 337 N GLY A 22 54.356 -2.570 15.098 1.00 0.00 N ATOM 338 CA GLY A 22 55.561 -2.305 15.936 1.00 0.00 C ATOM 339 C GLY A 22 55.960 -0.830 15.851 1.00 0.00 C ATOM 340 O GLY A 22 55.230 -0.003 15.343 1.00 0.00 O ATOM 0 H GLY A 22 53.470 -2.582 15.603 1.00 0.00 H new ATOM 0 HA2 GLY A 22 55.356 -2.573 16.972 1.00 0.00 H new ATOM 0 HA3 GLY A 22 56.388 -2.931 15.602 1.00 0.00 H new ATOM 344 N ASP A 23 57.119 -0.498 16.359 1.00 0.00 N ATOM 345 CA ASP A 23 57.589 0.921 16.333 1.00 0.00 C ATOM 346 C ASP A 23 58.489 1.153 15.117 1.00 0.00 C ATOM 347 O ASP A 23 59.286 0.312 14.747 1.00 0.00 O ATOM 348 CB ASP A 23 58.379 1.212 17.609 1.00 0.00 C ATOM 349 CG ASP A 23 58.601 2.720 17.741 1.00 0.00 C ATOM 350 OD1 ASP A 23 59.355 3.259 16.948 1.00 0.00 O ATOM 351 OD2 ASP A 23 58.012 3.310 18.631 1.00 0.00 O ATOM 0 H ASP A 23 57.766 -1.155 16.795 1.00 0.00 H new ATOM 0 HA ASP A 23 56.726 1.584 16.270 1.00 0.00 H new ATOM 0 HB2 ASP A 23 57.838 0.836 18.478 1.00 0.00 H new ATOM 0 HB3 ASP A 23 59.338 0.694 17.582 1.00 0.00 H new ATOM 356 N LYS A 24 58.363 2.292 14.497 1.00 0.00 N ATOM 357 CA LYS A 24 59.200 2.604 13.303 1.00 0.00 C ATOM 358 C LYS A 24 60.682 2.623 13.694 1.00 0.00 C ATOM 359 O LYS A 24 61.047 3.120 14.741 1.00 0.00 O ATOM 360 CB LYS A 24 58.806 3.984 12.771 1.00 0.00 C ATOM 361 CG LYS A 24 59.480 4.235 11.420 1.00 0.00 C ATOM 362 CD LYS A 24 59.357 5.718 11.054 1.00 0.00 C ATOM 363 CE LYS A 24 57.890 6.155 11.128 1.00 0.00 C ATOM 364 NZ LYS A 24 57.709 7.425 10.367 1.00 0.00 N ATOM 0 H LYS A 24 57.710 3.028 14.768 1.00 0.00 H new ATOM 0 HA LYS A 24 59.040 1.843 12.539 1.00 0.00 H new ATOM 0 HB2 LYS A 24 57.723 4.046 12.664 1.00 0.00 H new ATOM 0 HB3 LYS A 24 59.101 4.755 13.483 1.00 0.00 H new ATOM 0 HG2 LYS A 24 60.530 3.947 11.467 1.00 0.00 H new ATOM 0 HG3 LYS A 24 59.015 3.620 10.650 1.00 0.00 H new ATOM 0 HD2 LYS A 24 59.959 6.320 11.734 1.00 0.00 H new ATOM 0 HD3 LYS A 24 59.745 5.887 10.050 1.00 0.00 H new ATOM 0 HE2 LYS A 24 57.247 5.377 10.716 1.00 0.00 H new ATOM 0 HE3 LYS A 24 57.594 6.296 12.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 56.829 7.889 10.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 58.514 8.057 10.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 57.658 7.216 9.350 1.00 0.00 H new ATOM 378 N HIS A 25 61.531 2.072 12.861 1.00 0.00 N ATOM 379 CA HIS A 25 62.993 2.032 13.158 1.00 0.00 C ATOM 380 C HIS A 25 63.278 0.899 14.148 1.00 0.00 C ATOM 381 O HIS A 25 64.235 0.933 14.897 1.00 0.00 O ATOM 382 CB HIS A 25 63.437 3.386 13.733 1.00 0.00 C ATOM 383 CG HIS A 25 64.857 3.690 13.329 1.00 0.00 C ATOM 384 ND1 HIS A 25 65.230 4.923 12.808 1.00 0.00 N ATOM 385 CD2 HIS A 25 66.003 2.934 13.359 1.00 0.00 C ATOM 386 CE1 HIS A 25 66.549 4.871 12.548 1.00 0.00 C ATOM 387 NE2 HIS A 25 67.065 3.683 12.867 1.00 0.00 N ATOM 0 H HIS A 25 61.266 1.642 11.975 1.00 0.00 H new ATOM 0 HA HIS A 25 63.555 1.845 12.243 1.00 0.00 H new ATOM 0 HB2 HIS A 25 62.774 4.174 13.376 1.00 0.00 H new ATOM 0 HB3 HIS A 25 63.357 3.370 14.820 1.00 0.00 H new ATOM 0 HD1 HIS A 25 64.616 5.722 12.651 1.00 0.00 H new ATOM 0 HD2 HIS A 25 66.069 1.915 13.711 1.00 0.00 H new ATOM 0 HE1 HIS A 25 67.119 5.689 12.133 1.00 0.00 H new ATOM 396 N LYS A 26 62.460 -0.114 14.132 1.00 0.00 N ATOM 397 CA LYS A 26 62.667 -1.278 15.040 1.00 0.00 C ATOM 398 C LYS A 26 62.042 -2.510 14.387 1.00 0.00 C ATOM 399 O LYS A 26 60.841 -2.696 14.418 1.00 0.00 O ATOM 400 CB LYS A 26 62.004 -0.995 16.394 1.00 0.00 C ATOM 401 CG LYS A 26 62.181 -2.198 17.329 1.00 0.00 C ATOM 402 CD LYS A 26 61.539 -1.886 18.685 1.00 0.00 C ATOM 403 CE LYS A 26 61.643 -3.108 19.601 1.00 0.00 C ATOM 404 NZ LYS A 26 61.021 -4.282 18.929 1.00 0.00 N ATOM 0 H LYS A 26 61.646 -0.187 13.521 1.00 0.00 H new ATOM 0 HA LYS A 26 63.730 -1.451 15.207 1.00 0.00 H new ATOM 0 HB2 LYS A 26 62.445 -0.106 16.845 1.00 0.00 H new ATOM 0 HB3 LYS A 26 60.943 -0.788 16.252 1.00 0.00 H new ATOM 0 HG2 LYS A 26 61.721 -3.084 16.891 1.00 0.00 H new ATOM 0 HG3 LYS A 26 63.240 -2.420 17.458 1.00 0.00 H new ATOM 0 HD2 LYS A 26 62.036 -1.032 19.145 1.00 0.00 H new ATOM 0 HD3 LYS A 26 60.493 -1.611 18.548 1.00 0.00 H new ATOM 0 HE2 LYS A 26 62.688 -3.317 19.830 1.00 0.00 H new ATOM 0 HE3 LYS A 26 61.143 -2.910 20.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 60.720 -4.973 19.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 60.195 -3.970 18.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 61.713 -4.724 18.291 1.00 0.00 H new ATOM 418 N LEU A 27 62.845 -3.345 13.777 1.00 0.00 N ATOM 419 CA LEU A 27 62.295 -4.558 13.095 1.00 0.00 C ATOM 420 C LEU A 27 62.473 -5.786 13.991 1.00 0.00 C ATOM 421 O LEU A 27 63.564 -6.120 14.409 1.00 0.00 O ATOM 422 CB LEU A 27 63.043 -4.767 11.768 1.00 0.00 C ATOM 423 CG LEU A 27 62.395 -3.920 10.666 1.00 0.00 C ATOM 424 CD1 LEU A 27 62.470 -2.439 11.037 1.00 0.00 C ATOM 425 CD2 LEU A 27 63.139 -4.146 9.353 1.00 0.00 C ATOM 0 H LEU A 27 63.858 -3.240 13.721 1.00 0.00 H new ATOM 0 HA LEU A 27 61.232 -4.418 12.900 1.00 0.00 H new ATOM 0 HB2 LEU A 27 64.091 -4.490 11.883 1.00 0.00 H new ATOM 0 HB3 LEU A 27 63.021 -5.821 11.490 1.00 0.00 H new ATOM 0 HG LEU A 27 61.351 -4.212 10.556 1.00 0.00 H new ATOM 0 HD11 LEU A 27 62.008 -1.843 10.250 1.00 0.00 H new ATOM 0 HD12 LEU A 27 61.942 -2.272 11.976 1.00 0.00 H new ATOM 0 HD13 LEU A 27 63.513 -2.145 11.150 1.00 0.00 H new ATOM 0 HD21 LEU A 27 62.681 -3.545 8.567 1.00 0.00 H new ATOM 0 HD22 LEU A 27 64.183 -3.854 9.471 1.00 0.00 H new ATOM 0 HD23 LEU A 27 63.086 -5.200 9.081 1.00 0.00 H new ATOM 437 N LYS A 28 61.393 -6.464 14.271 1.00 0.00 N ATOM 438 CA LYS A 28 61.456 -7.685 15.123 1.00 0.00 C ATOM 439 C LYS A 28 61.605 -8.905 14.216 1.00 0.00 C ATOM 440 O LYS A 28 61.406 -8.823 13.019 1.00 0.00 O ATOM 441 CB LYS A 28 60.168 -7.812 15.938 1.00 0.00 C ATOM 442 CG LYS A 28 60.058 -6.631 16.905 1.00 0.00 C ATOM 443 CD LYS A 28 58.785 -6.771 17.751 1.00 0.00 C ATOM 444 CE LYS A 28 57.537 -6.711 16.857 1.00 0.00 C ATOM 445 NZ LYS A 28 57.216 -8.080 16.365 1.00 0.00 N ATOM 0 H LYS A 28 60.459 -6.220 13.941 1.00 0.00 H new ATOM 0 HA LYS A 28 62.304 -7.618 15.805 1.00 0.00 H new ATOM 0 HB2 LYS A 28 59.305 -7.833 15.273 1.00 0.00 H new ATOM 0 HB3 LYS A 28 60.166 -8.751 16.492 1.00 0.00 H new ATOM 0 HG2 LYS A 28 60.934 -6.596 17.552 1.00 0.00 H new ATOM 0 HG3 LYS A 28 60.035 -5.694 16.349 1.00 0.00 H new ATOM 0 HD2 LYS A 28 58.805 -7.715 18.295 1.00 0.00 H new ATOM 0 HD3 LYS A 28 58.746 -5.975 18.495 1.00 0.00 H new ATOM 0 HE2 LYS A 28 56.694 -6.307 17.417 1.00 0.00 H new ATOM 0 HE3 LYS A 28 57.711 -6.041 16.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 57.364 -8.123 15.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 57.836 -8.771 16.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 56.223 -8.303 16.581 1.00 0.00 H new ATOM 459 N LYS A 29 61.958 -10.033 14.762 1.00 0.00 N ATOM 460 CA LYS A 29 62.119 -11.240 13.908 1.00 0.00 C ATOM 461 C LYS A 29 60.801 -11.531 13.184 1.00 0.00 C ATOM 462 O LYS A 29 60.789 -11.888 12.023 1.00 0.00 O ATOM 463 CB LYS A 29 62.519 -12.437 14.779 1.00 0.00 C ATOM 464 CG LYS A 29 61.441 -12.701 15.835 1.00 0.00 C ATOM 465 CD LYS A 29 61.898 -13.830 16.759 1.00 0.00 C ATOM 466 CE LYS A 29 60.800 -14.124 17.783 1.00 0.00 C ATOM 467 NZ LYS A 29 59.532 -14.438 17.067 1.00 0.00 N ATOM 0 H LYS A 29 62.141 -10.171 15.756 1.00 0.00 H new ATOM 0 HA LYS A 29 62.901 -11.064 13.169 1.00 0.00 H new ATOM 0 HB2 LYS A 29 62.654 -13.321 14.156 1.00 0.00 H new ATOM 0 HB3 LYS A 29 63.475 -12.240 15.265 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.254 -11.796 16.414 1.00 0.00 H new ATOM 0 HG3 LYS A 29 60.502 -12.970 15.352 1.00 0.00 H new ATOM 0 HD2 LYS A 29 62.117 -14.725 16.177 1.00 0.00 H new ATOM 0 HD3 LYS A 29 62.819 -13.548 17.268 1.00 0.00 H new ATOM 0 HE2 LYS A 29 61.091 -14.963 18.415 1.00 0.00 H new ATOM 0 HE3 LYS A 29 60.658 -13.265 18.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 58.900 -14.970 17.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 59.068 -13.553 16.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 59.742 -15.010 16.224 1.00 0.00 H new ATOM 481 N SER A 30 59.688 -11.375 13.849 1.00 0.00 N ATOM 482 CA SER A 30 58.383 -11.634 13.179 1.00 0.00 C ATOM 483 C SER A 30 58.218 -10.646 12.022 1.00 0.00 C ATOM 484 O SER A 30 57.759 -10.990 10.951 1.00 0.00 O ATOM 485 CB SER A 30 57.249 -11.432 14.184 1.00 0.00 C ATOM 486 OG SER A 30 56.014 -11.789 13.576 1.00 0.00 O ATOM 0 H SER A 30 59.627 -11.080 14.824 1.00 0.00 H new ATOM 0 HA SER A 30 58.355 -12.656 12.802 1.00 0.00 H new ATOM 0 HB2 SER A 30 57.421 -12.042 15.071 1.00 0.00 H new ATOM 0 HB3 SER A 30 57.219 -10.393 14.512 1.00 0.00 H new ATOM 0 HG SER A 30 55.285 -11.662 14.218 1.00 0.00 H new ATOM 492 N GLU A 31 58.606 -9.421 12.238 1.00 0.00 N ATOM 493 CA GLU A 31 58.499 -8.393 11.165 1.00 0.00 C ATOM 494 C GLU A 31 59.520 -8.700 10.066 1.00 0.00 C ATOM 495 O GLU A 31 59.291 -8.450 8.898 1.00 0.00 O ATOM 496 CB GLU A 31 58.761 -7.006 11.755 1.00 0.00 C ATOM 497 CG GLU A 31 57.588 -6.619 12.661 1.00 0.00 C ATOM 498 CD GLU A 31 57.829 -5.233 13.262 1.00 0.00 C ATOM 499 OE1 GLU A 31 58.908 -4.701 13.061 1.00 0.00 O ATOM 500 OE2 GLU A 31 56.929 -4.727 13.911 1.00 0.00 O ATOM 0 H GLU A 31 58.996 -9.085 13.119 1.00 0.00 H new ATOM 0 HA GLU A 31 57.497 -8.411 10.737 1.00 0.00 H new ATOM 0 HB2 GLU A 31 59.691 -7.008 12.324 1.00 0.00 H new ATOM 0 HB3 GLU A 31 58.878 -6.273 10.957 1.00 0.00 H new ATOM 0 HG2 GLU A 31 56.660 -6.621 12.089 1.00 0.00 H new ATOM 0 HG3 GLU A 31 57.474 -7.355 13.457 1.00 0.00 H new ATOM 507 N LEU A 32 60.645 -9.245 10.438 1.00 0.00 N ATOM 508 CA LEU A 32 61.685 -9.577 9.421 1.00 0.00 C ATOM 509 C LEU A 32 61.188 -10.733 8.547 1.00 0.00 C ATOM 510 O LEU A 32 61.391 -10.753 7.349 1.00 0.00 O ATOM 511 CB LEU A 32 62.981 -9.980 10.142 1.00 0.00 C ATOM 512 CG LEU A 32 64.083 -10.331 9.128 1.00 0.00 C ATOM 513 CD1 LEU A 32 64.449 -9.098 8.286 1.00 0.00 C ATOM 514 CD2 LEU A 32 65.320 -10.815 9.893 1.00 0.00 C ATOM 0 H LEU A 32 60.890 -9.475 11.401 1.00 0.00 H new ATOM 0 HA LEU A 32 61.879 -8.711 8.788 1.00 0.00 H new ATOM 0 HB2 LEU A 32 63.316 -9.163 10.782 1.00 0.00 H new ATOM 0 HB3 LEU A 32 62.791 -10.835 10.790 1.00 0.00 H new ATOM 0 HG LEU A 32 63.723 -11.113 8.460 1.00 0.00 H new ATOM 0 HD11 LEU A 32 65.230 -9.363 7.573 1.00 0.00 H new ATOM 0 HD12 LEU A 32 63.568 -8.751 7.746 1.00 0.00 H new ATOM 0 HD13 LEU A 32 64.809 -8.304 8.941 1.00 0.00 H new ATOM 0 HD21 LEU A 32 66.110 -11.067 9.185 1.00 0.00 H new ATOM 0 HD22 LEU A 32 65.668 -10.025 10.559 1.00 0.00 H new ATOM 0 HD23 LEU A 32 65.063 -11.697 10.480 1.00 0.00 H new ATOM 526 N LYS A 33 60.545 -11.698 9.144 1.00 0.00 N ATOM 527 CA LYS A 33 60.037 -12.863 8.361 1.00 0.00 C ATOM 528 C LYS A 33 58.935 -12.425 7.390 1.00 0.00 C ATOM 529 O LYS A 33 58.867 -12.892 6.271 1.00 0.00 O ATOM 530 CB LYS A 33 59.482 -13.924 9.312 1.00 0.00 C ATOM 531 CG LYS A 33 59.190 -15.202 8.523 1.00 0.00 C ATOM 532 CD LYS A 33 58.655 -16.280 9.466 1.00 0.00 C ATOM 533 CE LYS A 33 58.430 -17.575 8.681 1.00 0.00 C ATOM 534 NZ LYS A 33 58.174 -18.693 9.632 1.00 0.00 N ATOM 0 H LYS A 33 60.348 -11.731 10.144 1.00 0.00 H new ATOM 0 HA LYS A 33 60.866 -13.279 7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 33 60.200 -14.129 10.107 1.00 0.00 H new ATOM 0 HB3 LYS A 33 58.572 -13.561 9.790 1.00 0.00 H new ATOM 0 HG2 LYS A 33 58.462 -14.998 7.738 1.00 0.00 H new ATOM 0 HG3 LYS A 33 60.098 -15.553 8.032 1.00 0.00 H new ATOM 0 HD2 LYS A 33 59.362 -16.452 10.278 1.00 0.00 H new ATOM 0 HD3 LYS A 33 57.721 -15.950 9.921 1.00 0.00 H new ATOM 0 HE2 LYS A 33 57.585 -17.460 8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 33 59.303 -17.798 8.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 57.988 -19.566 9.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 59.007 -18.829 10.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 57.349 -18.465 10.222 1.00 0.00 H new ATOM 548 N GLU A 34 58.064 -11.546 7.806 1.00 0.00 N ATOM 549 CA GLU A 34 56.969 -11.113 6.891 1.00 0.00 C ATOM 550 C GLU A 34 57.560 -10.482 5.634 1.00 0.00 C ATOM 551 O GLU A 34 57.109 -10.732 4.534 1.00 0.00 O ATOM 552 CB GLU A 34 56.079 -10.090 7.601 1.00 0.00 C ATOM 553 CG GLU A 34 55.279 -10.781 8.706 1.00 0.00 C ATOM 554 CD GLU A 34 54.448 -9.741 9.458 1.00 0.00 C ATOM 555 OE1 GLU A 34 54.960 -9.180 10.413 1.00 0.00 O ATOM 556 OE2 GLU A 34 53.315 -9.521 9.065 1.00 0.00 O ATOM 0 H GLU A 34 58.062 -11.113 8.729 1.00 0.00 H new ATOM 0 HA GLU A 34 56.375 -11.983 6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 34 56.691 -9.294 8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 34 55.402 -9.624 6.885 1.00 0.00 H new ATOM 0 HG2 GLU A 34 54.627 -11.542 8.277 1.00 0.00 H new ATOM 0 HG3 GLU A 34 55.954 -11.290 9.394 1.00 0.00 H new ATOM 563 N LEU A 35 58.549 -9.652 5.784 1.00 0.00 N ATOM 564 CA LEU A 35 59.145 -8.991 4.593 1.00 0.00 C ATOM 565 C LEU A 35 59.691 -10.060 3.640 1.00 0.00 C ATOM 566 O LEU A 35 59.445 -10.028 2.451 1.00 0.00 O ATOM 567 CB LEU A 35 60.281 -8.067 5.053 1.00 0.00 C ATOM 568 CG LEU A 35 60.926 -7.361 3.851 1.00 0.00 C ATOM 569 CD1 LEU A 35 59.899 -6.444 3.165 1.00 0.00 C ATOM 570 CD2 LEU A 35 62.111 -6.523 4.346 1.00 0.00 C ATOM 0 H LEU A 35 58.971 -9.402 6.678 1.00 0.00 H new ATOM 0 HA LEU A 35 58.389 -8.404 4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 35 59.893 -7.326 5.752 1.00 0.00 H new ATOM 0 HB3 LEU A 35 61.034 -8.646 5.588 1.00 0.00 H new ATOM 0 HG LEU A 35 61.269 -8.105 3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 35 60.366 -5.948 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 35 59.054 -7.039 2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 35 59.549 -5.695 3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 35 62.577 -6.017 3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 35 61.758 -5.782 5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 35 62.841 -7.174 4.827 1.00 0.00 H new ATOM 582 N ILE A 36 60.431 -11.006 4.151 1.00 0.00 N ATOM 583 CA ILE A 36 60.989 -12.072 3.268 1.00 0.00 C ATOM 584 C ILE A 36 59.849 -12.859 2.612 1.00 0.00 C ATOM 585 O ILE A 36 59.898 -13.177 1.443 1.00 0.00 O ATOM 586 CB ILE A 36 61.849 -13.029 4.103 1.00 0.00 C ATOM 587 CG1 ILE A 36 63.047 -12.265 4.678 1.00 0.00 C ATOM 588 CG2 ILE A 36 62.344 -14.180 3.215 1.00 0.00 C ATOM 589 CD1 ILE A 36 63.763 -13.140 5.711 1.00 0.00 C ATOM 0 H ILE A 36 60.673 -11.088 5.138 1.00 0.00 H new ATOM 0 HA ILE A 36 61.599 -11.609 2.493 1.00 0.00 H new ATOM 0 HB ILE A 36 61.255 -13.437 4.921 1.00 0.00 H new ATOM 0 HG12 ILE A 36 63.735 -11.991 3.878 1.00 0.00 H new ATOM 0 HG13 ILE A 36 62.712 -11.337 5.142 1.00 0.00 H new ATOM 0 HG21 ILE A 36 62.955 -14.860 3.808 1.00 0.00 H new ATOM 0 HG22 ILE A 36 61.489 -14.721 2.810 1.00 0.00 H new ATOM 0 HG23 ILE A 36 62.940 -13.777 2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 36 64.615 -12.597 6.120 1.00 0.00 H new ATOM 0 HD12 ILE A 36 63.073 -13.391 6.516 1.00 0.00 H new ATOM 0 HD13 ILE A 36 64.112 -14.055 5.233 1.00 0.00 H new ATOM 601 N ASN A 37 58.823 -13.181 3.351 1.00 0.00 N ATOM 602 CA ASN A 37 57.696 -13.947 2.744 1.00 0.00 C ATOM 603 C ASN A 37 57.070 -13.106 1.630 1.00 0.00 C ATOM 604 O ASN A 37 56.711 -13.602 0.581 1.00 0.00 O ATOM 605 CB ASN A 37 56.632 -14.216 3.810 1.00 0.00 C ATOM 606 CG ASN A 37 57.155 -15.230 4.828 1.00 0.00 C ATOM 607 OD1 ASN A 37 57.979 -16.064 4.508 1.00 0.00 O ATOM 608 ND2 ASN A 37 56.707 -15.189 6.053 1.00 0.00 N ATOM 0 H ASN A 37 58.715 -12.950 4.339 1.00 0.00 H new ATOM 0 HA ASN A 37 58.067 -14.891 2.345 1.00 0.00 H new ATOM 0 HB2 ASN A 37 56.367 -13.286 4.314 1.00 0.00 H new ATOM 0 HB3 ASN A 37 55.724 -14.595 3.341 1.00 0.00 H new ATOM 0 HD21 ASN A 37 57.048 -15.858 6.744 1.00 0.00 H new ATOM 0 HD22 ASN A 37 56.015 -14.488 6.320 1.00 0.00 H new ATOM 615 N ASN A 38 56.939 -11.830 1.867 1.00 0.00 N ATOM 616 CA ASN A 38 56.336 -10.927 0.846 1.00 0.00 C ATOM 617 C ASN A 38 57.372 -10.553 -0.216 1.00 0.00 C ATOM 618 O ASN A 38 57.116 -10.633 -1.402 1.00 0.00 O ATOM 619 CB ASN A 38 55.835 -9.657 1.538 1.00 0.00 C ATOM 620 CG ASN A 38 54.600 -9.989 2.377 1.00 0.00 C ATOM 621 OD1 ASN A 38 54.601 -9.809 3.579 1.00 0.00 O ATOM 622 ND2 ASN A 38 53.538 -10.467 1.788 1.00 0.00 N ATOM 0 H ASN A 38 57.226 -11.370 2.731 1.00 0.00 H new ATOM 0 HA ASN A 38 55.507 -11.441 0.359 1.00 0.00 H new ATOM 0 HB2 ASN A 38 56.618 -9.242 2.172 1.00 0.00 H new ATOM 0 HB3 ASN A 38 55.590 -8.897 0.796 1.00 0.00 H new ATOM 0 HD21 ASN A 38 52.707 -10.690 2.336 1.00 0.00 H new ATOM 0 HD22 ASN A 38 53.539 -10.618 0.779 1.00 0.00 H new ATOM 629 N GLU A 39 58.532 -10.115 0.207 1.00 0.00 N ATOM 630 CA GLU A 39 59.598 -9.692 -0.757 1.00 0.00 C ATOM 631 C GLU A 39 60.783 -10.661 -0.708 1.00 0.00 C ATOM 632 O GLU A 39 60.880 -11.504 0.157 1.00 0.00 O ATOM 633 CB GLU A 39 60.071 -8.287 -0.379 1.00 0.00 C ATOM 634 CG GLU A 39 58.957 -7.282 -0.682 1.00 0.00 C ATOM 635 CD GLU A 39 59.413 -5.875 -0.295 1.00 0.00 C ATOM 636 OE1 GLU A 39 60.494 -5.755 0.257 1.00 0.00 O ATOM 637 OE2 GLU A 39 58.670 -4.941 -0.550 1.00 0.00 O ATOM 0 H GLU A 39 58.790 -10.031 1.190 1.00 0.00 H new ATOM 0 HA GLU A 39 59.191 -9.696 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 39 60.332 -8.251 0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 39 60.971 -8.030 -0.938 1.00 0.00 H new ATOM 0 HG2 GLU A 39 58.704 -7.314 -1.742 1.00 0.00 H new ATOM 0 HG3 GLU A 39 58.055 -7.547 -0.130 1.00 0.00 H new ATOM 644 N LEU A 40 61.689 -10.520 -1.634 1.00 0.00 N ATOM 645 CA LEU A 40 62.891 -11.383 -1.684 1.00 0.00 C ATOM 646 C LEU A 40 62.496 -12.862 -1.706 1.00 0.00 C ATOM 647 O LEU A 40 63.262 -13.723 -1.322 1.00 0.00 O ATOM 648 CB LEU A 40 63.749 -11.082 -0.466 1.00 0.00 C ATOM 649 CG LEU A 40 64.087 -9.585 -0.419 1.00 0.00 C ATOM 650 CD1 LEU A 40 64.950 -9.302 0.815 1.00 0.00 C ATOM 651 CD2 LEU A 40 64.844 -9.166 -1.692 1.00 0.00 C ATOM 0 H LEU A 40 61.640 -9.822 -2.376 1.00 0.00 H new ATOM 0 HA LEU A 40 63.452 -11.177 -2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 40 63.221 -11.373 0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 40 64.666 -11.669 -0.503 1.00 0.00 H new ATOM 0 HG LEU A 40 63.162 -9.011 -0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 40 65.193 -8.240 0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 40 64.401 -9.581 1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 40 65.870 -9.883 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 40 65.076 -8.102 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 40 65.770 -9.737 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 40 64.223 -9.362 -2.566 1.00 0.00 H new ATOM 663 N SER A 41 61.315 -13.167 -2.168 1.00 0.00 N ATOM 664 CA SER A 41 60.891 -14.594 -2.231 1.00 0.00 C ATOM 665 C SER A 41 61.858 -15.369 -3.131 1.00 0.00 C ATOM 666 O SER A 41 62.216 -16.497 -2.855 1.00 0.00 O ATOM 667 CB SER A 41 59.480 -14.677 -2.815 1.00 0.00 C ATOM 668 OG SER A 41 58.563 -14.072 -1.912 1.00 0.00 O ATOM 0 H SER A 41 60.627 -12.493 -2.504 1.00 0.00 H new ATOM 0 HA SER A 41 60.898 -15.023 -1.229 1.00 0.00 H new ATOM 0 HB2 SER A 41 59.443 -14.173 -3.781 1.00 0.00 H new ATOM 0 HB3 SER A 41 59.206 -15.718 -2.988 1.00 0.00 H new ATOM 0 HG SER A 41 57.657 -14.122 -2.283 1.00 0.00 H new ATOM 674 N HIS A 42 62.270 -14.769 -4.215 1.00 0.00 N ATOM 675 CA HIS A 42 63.199 -15.455 -5.161 1.00 0.00 C ATOM 676 C HIS A 42 64.593 -15.602 -4.538 1.00 0.00 C ATOM 677 O HIS A 42 65.391 -16.407 -4.976 1.00 0.00 O ATOM 678 CB HIS A 42 63.305 -14.638 -6.449 1.00 0.00 C ATOM 679 CG HIS A 42 64.225 -15.338 -7.408 1.00 0.00 C ATOM 680 ND1 HIS A 42 63.775 -16.331 -8.266 1.00 0.00 N ATOM 681 CD2 HIS A 42 65.571 -15.215 -7.650 1.00 0.00 C ATOM 682 CE1 HIS A 42 64.832 -16.764 -8.977 1.00 0.00 C ATOM 683 NE2 HIS A 42 65.948 -16.116 -8.639 1.00 0.00 N ATOM 0 H HIS A 42 62.001 -13.824 -4.489 1.00 0.00 H new ATOM 0 HA HIS A 42 62.806 -16.448 -5.379 1.00 0.00 H new ATOM 0 HB2 HIS A 42 62.319 -14.515 -6.897 1.00 0.00 H new ATOM 0 HB3 HIS A 42 63.682 -13.639 -6.229 1.00 0.00 H new ATOM 0 HD2 HIS A 42 66.234 -14.525 -7.149 1.00 0.00 H new ATOM 0 HE1 HIS A 42 64.783 -17.539 -9.727 1.00 0.00 H new ATOM 0 HE2 HIS A 42 66.882 -16.253 -9.025 1.00 0.00 H new ATOM 692 N PHE A 43 64.902 -14.822 -3.534 1.00 0.00 N ATOM 693 CA PHE A 43 66.259 -14.910 -2.903 1.00 0.00 C ATOM 694 C PHE A 43 66.191 -15.761 -1.635 1.00 0.00 C ATOM 695 O PHE A 43 67.193 -16.246 -1.149 1.00 0.00 O ATOM 696 CB PHE A 43 66.740 -13.501 -2.545 1.00 0.00 C ATOM 697 CG PHE A 43 67.130 -12.771 -3.808 1.00 0.00 C ATOM 698 CD1 PHE A 43 66.164 -12.071 -4.537 1.00 0.00 C ATOM 699 CD2 PHE A 43 68.458 -12.803 -4.255 1.00 0.00 C ATOM 700 CE1 PHE A 43 66.522 -11.401 -5.712 1.00 0.00 C ATOM 701 CE2 PHE A 43 68.817 -12.133 -5.431 1.00 0.00 C ATOM 702 CZ PHE A 43 67.848 -11.431 -6.160 1.00 0.00 C ATOM 0 H PHE A 43 64.277 -14.129 -3.123 1.00 0.00 H new ATOM 0 HA PHE A 43 66.954 -15.371 -3.605 1.00 0.00 H new ATOM 0 HB2 PHE A 43 65.952 -12.956 -2.025 1.00 0.00 H new ATOM 0 HB3 PHE A 43 67.591 -13.556 -1.866 1.00 0.00 H new ATOM 0 HD1 PHE A 43 65.141 -12.047 -4.193 1.00 0.00 H new ATOM 0 HD2 PHE A 43 69.204 -13.344 -3.693 1.00 0.00 H new ATOM 0 HE1 PHE A 43 65.775 -10.860 -6.274 1.00 0.00 H new ATOM 0 HE2 PHE A 43 69.840 -12.157 -5.776 1.00 0.00 H new ATOM 0 HZ PHE A 43 68.124 -10.913 -7.067 1.00 0.00 H new ATOM 712 N LEU A 44 65.016 -15.969 -1.107 1.00 0.00 N ATOM 713 CA LEU A 44 64.877 -16.814 0.119 1.00 0.00 C ATOM 714 C LEU A 44 63.536 -17.546 0.064 1.00 0.00 C ATOM 715 O LEU A 44 62.490 -16.942 0.196 1.00 0.00 O ATOM 716 CB LEU A 44 64.913 -15.937 1.375 1.00 0.00 C ATOM 717 CG LEU A 44 66.325 -15.378 1.622 1.00 0.00 C ATOM 718 CD1 LEU A 44 66.262 -14.363 2.768 1.00 0.00 C ATOM 719 CD2 LEU A 44 67.298 -16.516 1.990 1.00 0.00 C ATOM 0 H LEU A 44 64.142 -15.590 -1.471 1.00 0.00 H new ATOM 0 HA LEU A 44 65.701 -17.527 0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 44 64.207 -15.114 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 44 64.594 -16.520 2.239 1.00 0.00 H new ATOM 0 HG LEU A 44 66.685 -14.895 0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 44 67.258 -13.960 2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 44 65.586 -13.551 2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 44 65.897 -14.855 3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 44 68.292 -16.103 2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 44 66.950 -17.013 2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 44 67.340 -17.237 1.174 1.00 0.00 H new ATOM 731 N GLU A 45 63.558 -18.843 -0.134 1.00 0.00 N ATOM 732 CA GLU A 45 62.287 -19.632 -0.204 1.00 0.00 C ATOM 733 C GLU A 45 62.301 -20.742 0.852 1.00 0.00 C ATOM 734 O GLU A 45 61.264 -21.222 1.265 1.00 0.00 O ATOM 735 CB GLU A 45 62.159 -20.250 -1.599 1.00 0.00 C ATOM 736 CG GLU A 45 60.860 -21.058 -1.693 1.00 0.00 C ATOM 737 CD GLU A 45 60.691 -21.582 -3.120 1.00 0.00 C ATOM 738 OE1 GLU A 45 61.447 -21.158 -3.979 1.00 0.00 O ATOM 739 OE2 GLU A 45 59.809 -22.399 -3.331 1.00 0.00 O ATOM 0 H GLU A 45 64.409 -19.393 -0.251 1.00 0.00 H new ATOM 0 HA GLU A 45 61.440 -18.974 -0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 45 62.166 -19.466 -2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 45 63.014 -20.895 -1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 45 60.884 -21.890 -0.989 1.00 0.00 H new ATOM 0 HG3 GLU A 45 60.009 -20.433 -1.420 1.00 0.00 H new ATOM 746 N GLU A 46 63.457 -21.164 1.289 1.00 0.00 N ATOM 747 CA GLU A 46 63.498 -22.251 2.312 1.00 0.00 C ATOM 748 C GLU A 46 63.009 -21.712 3.663 1.00 0.00 C ATOM 749 O GLU A 46 61.852 -21.376 3.822 1.00 0.00 O ATOM 750 CB GLU A 46 64.923 -22.808 2.451 1.00 0.00 C ATOM 751 CG GLU A 46 65.948 -21.670 2.448 1.00 0.00 C ATOM 752 CD GLU A 46 67.352 -22.252 2.604 1.00 0.00 C ATOM 753 OE1 GLU A 46 67.455 -23.431 2.898 1.00 0.00 O ATOM 754 OE2 GLU A 46 68.303 -21.507 2.429 1.00 0.00 O ATOM 0 H GLU A 46 64.365 -20.809 0.987 1.00 0.00 H new ATOM 0 HA GLU A 46 62.842 -23.060 1.990 1.00 0.00 H new ATOM 0 HB2 GLU A 46 65.008 -23.379 3.376 1.00 0.00 H new ATOM 0 HB3 GLU A 46 65.132 -23.496 1.632 1.00 0.00 H new ATOM 0 HG2 GLU A 46 65.878 -21.105 1.519 1.00 0.00 H new ATOM 0 HG3 GLU A 46 65.738 -20.975 3.261 1.00 0.00 H new ATOM 761 N ILE A 47 63.874 -21.633 4.641 1.00 0.00 N ATOM 762 CA ILE A 47 63.449 -21.124 5.980 1.00 0.00 C ATOM 763 C ILE A 47 62.155 -21.829 6.397 1.00 0.00 C ATOM 764 O ILE A 47 61.098 -21.232 6.437 1.00 0.00 O ATOM 765 CB ILE A 47 63.205 -19.613 5.907 1.00 0.00 C ATOM 766 CG1 ILE A 47 64.429 -18.931 5.286 1.00 0.00 C ATOM 767 CG2 ILE A 47 62.971 -19.059 7.314 1.00 0.00 C ATOM 768 CD1 ILE A 47 64.207 -17.417 5.219 1.00 0.00 C ATOM 0 H ILE A 47 64.856 -21.899 4.571 1.00 0.00 H new ATOM 0 HA ILE A 47 64.232 -21.325 6.711 1.00 0.00 H new ATOM 0 HB ILE A 47 62.326 -19.417 5.293 1.00 0.00 H new ATOM 0 HG12 ILE A 47 65.317 -19.151 5.878 1.00 0.00 H new ATOM 0 HG13 ILE A 47 64.607 -19.325 4.286 1.00 0.00 H new ATOM 0 HG21 ILE A 47 62.798 -17.984 7.258 1.00 0.00 H new ATOM 0 HG22 ILE A 47 62.101 -19.544 7.756 1.00 0.00 H new ATOM 0 HG23 ILE A 47 63.848 -19.253 7.932 1.00 0.00 H new ATOM 0 HD11 ILE A 47 65.082 -16.940 4.776 1.00 0.00 H new ATOM 0 HD12 ILE A 47 63.330 -17.205 4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 47 64.051 -17.027 6.225 1.00 0.00 H new ATOM 780 N LYS A 48 62.228 -23.100 6.699 1.00 0.00 N ATOM 781 CA LYS A 48 60.999 -23.849 7.101 1.00 0.00 C ATOM 782 C LYS A 48 60.813 -23.771 8.621 1.00 0.00 C ATOM 783 O LYS A 48 59.733 -23.997 9.131 1.00 0.00 O ATOM 784 CB LYS A 48 61.145 -25.318 6.681 1.00 0.00 C ATOM 785 CG LYS A 48 59.800 -26.036 6.833 1.00 0.00 C ATOM 786 CD LYS A 48 59.966 -27.531 6.527 1.00 0.00 C ATOM 787 CE LYS A 48 60.300 -27.748 5.042 1.00 0.00 C ATOM 788 NZ LYS A 48 61.778 -27.698 4.857 1.00 0.00 N ATOM 0 H LYS A 48 63.086 -23.652 6.685 1.00 0.00 H new ATOM 0 HA LYS A 48 60.131 -23.407 6.612 1.00 0.00 H new ATOM 0 HB2 LYS A 48 61.485 -25.378 5.647 1.00 0.00 H new ATOM 0 HB3 LYS A 48 61.901 -25.808 7.295 1.00 0.00 H new ATOM 0 HG2 LYS A 48 59.420 -25.904 7.846 1.00 0.00 H new ATOM 0 HG3 LYS A 48 59.066 -25.597 6.157 1.00 0.00 H new ATOM 0 HD2 LYS A 48 60.759 -27.949 7.148 1.00 0.00 H new ATOM 0 HD3 LYS A 48 59.049 -28.063 6.780 1.00 0.00 H new ATOM 0 HE2 LYS A 48 59.912 -28.710 4.707 1.00 0.00 H new ATOM 0 HE3 LYS A 48 59.820 -26.982 4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 62.024 -26.897 4.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 62.240 -27.579 5.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 62.103 -28.583 4.419 1.00 0.00 H new ATOM 802 N GLU A 49 61.860 -23.466 9.352 1.00 0.00 N ATOM 803 CA GLU A 49 61.755 -23.389 10.849 1.00 0.00 C ATOM 804 C GLU A 49 62.100 -21.976 11.333 1.00 0.00 C ATOM 805 O GLU A 49 63.032 -21.360 10.863 1.00 0.00 O ATOM 806 CB GLU A 49 62.751 -24.378 11.460 1.00 0.00 C ATOM 807 CG GLU A 49 62.290 -25.811 11.181 1.00 0.00 C ATOM 808 CD GLU A 49 63.296 -26.796 11.779 1.00 0.00 C ATOM 809 OE1 GLU A 49 64.323 -26.347 12.258 1.00 0.00 O ATOM 810 OE2 GLU A 49 63.019 -27.984 11.748 1.00 0.00 O ATOM 0 H GLU A 49 62.787 -23.266 8.976 1.00 0.00 H new ATOM 0 HA GLU A 49 60.736 -23.631 11.152 1.00 0.00 H new ATOM 0 HB2 GLU A 49 63.744 -24.216 11.040 1.00 0.00 H new ATOM 0 HB3 GLU A 49 62.829 -24.213 12.535 1.00 0.00 H new ATOM 0 HG2 GLU A 49 61.302 -25.977 11.612 1.00 0.00 H new ATOM 0 HG3 GLU A 49 62.201 -25.973 10.107 1.00 0.00 H new ATOM 817 N GLN A 50 61.366 -21.468 12.286 1.00 0.00 N ATOM 818 CA GLN A 50 61.671 -20.109 12.819 1.00 0.00 C ATOM 819 C GLN A 50 63.065 -20.132 13.447 1.00 0.00 C ATOM 820 O GLN A 50 63.831 -19.197 13.335 1.00 0.00 O ATOM 821 CB GLN A 50 60.633 -19.718 13.875 1.00 0.00 C ATOM 822 CG GLN A 50 59.283 -19.457 13.200 1.00 0.00 C ATOM 823 CD GLN A 50 58.687 -20.777 12.707 1.00 0.00 C ATOM 824 OE1 GLN A 50 59.045 -21.263 11.653 1.00 0.00 O ATOM 825 NE2 GLN A 50 57.784 -21.379 13.430 1.00 0.00 N ATOM 0 H GLN A 50 60.569 -21.935 12.718 1.00 0.00 H new ATOM 0 HA GLN A 50 61.639 -19.379 12.011 1.00 0.00 H new ATOM 0 HB2 GLN A 50 60.534 -20.514 14.613 1.00 0.00 H new ATOM 0 HB3 GLN A 50 60.962 -18.827 14.409 1.00 0.00 H new ATOM 0 HG2 GLN A 50 58.601 -18.979 13.903 1.00 0.00 H new ATOM 0 HG3 GLN A 50 59.411 -18.770 12.363 1.00 0.00 H new ATOM 0 HE21 GLN A 50 57.484 -20.970 14.315 1.00 0.00 H new ATOM 0 HE22 GLN A 50 57.378 -22.258 13.110 1.00 0.00 H new ATOM 834 N GLU A 51 63.391 -21.205 14.112 1.00 0.00 N ATOM 835 CA GLU A 51 64.729 -21.317 14.760 1.00 0.00 C ATOM 836 C GLU A 51 65.804 -20.905 13.750 1.00 0.00 C ATOM 837 O GLU A 51 66.807 -20.314 14.098 1.00 0.00 O ATOM 838 CB GLU A 51 64.954 -22.768 15.200 1.00 0.00 C ATOM 839 CG GLU A 51 66.317 -22.908 15.885 1.00 0.00 C ATOM 840 CD GLU A 51 66.521 -24.362 16.314 1.00 0.00 C ATOM 841 OE1 GLU A 51 65.571 -25.123 16.229 1.00 0.00 O ATOM 842 OE2 GLU A 51 67.624 -24.691 16.716 1.00 0.00 O ATOM 0 H GLU A 51 62.784 -22.015 14.236 1.00 0.00 H new ATOM 0 HA GLU A 51 64.782 -20.666 15.632 1.00 0.00 H new ATOM 0 HB2 GLU A 51 64.162 -23.075 15.883 1.00 0.00 H new ATOM 0 HB3 GLU A 51 64.904 -23.430 14.335 1.00 0.00 H new ATOM 0 HG2 GLU A 51 67.112 -22.603 15.204 1.00 0.00 H new ATOM 0 HG3 GLU A 51 66.370 -22.250 16.752 1.00 0.00 H new ATOM 849 N VAL A 52 65.585 -21.187 12.498 1.00 0.00 N ATOM 850 CA VAL A 52 66.567 -20.785 11.453 1.00 0.00 C ATOM 851 C VAL A 52 66.530 -19.259 11.302 1.00 0.00 C ATOM 852 O VAL A 52 67.533 -18.622 11.044 1.00 0.00 O ATOM 853 CB VAL A 52 66.199 -21.448 10.118 1.00 0.00 C ATOM 854 CG1 VAL A 52 67.051 -20.856 8.990 1.00 0.00 C ATOM 855 CG2 VAL A 52 66.448 -22.958 10.211 1.00 0.00 C ATOM 0 H VAL A 52 64.763 -21.682 12.151 1.00 0.00 H new ATOM 0 HA VAL A 52 67.569 -21.103 11.742 1.00 0.00 H new ATOM 0 HB VAL A 52 65.146 -21.265 9.905 1.00 0.00 H new ATOM 0 HG11 VAL A 52 66.785 -21.331 8.046 1.00 0.00 H new ATOM 0 HG12 VAL A 52 66.869 -19.784 8.921 1.00 0.00 H new ATOM 0 HG13 VAL A 52 68.106 -21.032 9.200 1.00 0.00 H new ATOM 0 HG21 VAL A 52 66.187 -23.429 9.263 1.00 0.00 H new ATOM 0 HG22 VAL A 52 67.500 -23.140 10.429 1.00 0.00 H new ATOM 0 HG23 VAL A 52 65.834 -23.380 11.007 1.00 0.00 H new ATOM 865 N VAL A 53 65.372 -18.672 11.464 1.00 0.00 N ATOM 866 CA VAL A 53 65.262 -17.191 11.331 1.00 0.00 C ATOM 867 C VAL A 53 66.024 -16.517 12.478 1.00 0.00 C ATOM 868 O VAL A 53 66.784 -15.593 12.269 1.00 0.00 O ATOM 869 CB VAL A 53 63.784 -16.773 11.369 1.00 0.00 C ATOM 870 CG1 VAL A 53 63.671 -15.247 11.445 1.00 0.00 C ATOM 871 CG2 VAL A 53 63.080 -17.265 10.102 1.00 0.00 C ATOM 0 H VAL A 53 64.500 -19.154 11.682 1.00 0.00 H new ATOM 0 HA VAL A 53 65.694 -16.880 10.380 1.00 0.00 H new ATOM 0 HB VAL A 53 63.315 -17.214 12.249 1.00 0.00 H new ATOM 0 HG11 VAL A 53 62.620 -14.961 11.471 1.00 0.00 H new ATOM 0 HG12 VAL A 53 64.167 -14.890 12.348 1.00 0.00 H new ATOM 0 HG13 VAL A 53 64.146 -14.803 10.570 1.00 0.00 H new ATOM 0 HG21 VAL A 53 62.032 -16.968 10.130 1.00 0.00 H new ATOM 0 HG22 VAL A 53 63.558 -16.826 9.226 1.00 0.00 H new ATOM 0 HG23 VAL A 53 63.148 -18.351 10.047 1.00 0.00 H new ATOM 881 N ASP A 54 65.819 -16.964 13.686 1.00 0.00 N ATOM 882 CA ASP A 54 66.528 -16.339 14.841 1.00 0.00 C ATOM 883 C ASP A 54 68.042 -16.490 14.665 1.00 0.00 C ATOM 884 O ASP A 54 68.801 -15.578 14.927 1.00 0.00 O ATOM 885 CB ASP A 54 66.097 -17.021 16.142 1.00 0.00 C ATOM 886 CG ASP A 54 66.750 -16.309 17.329 1.00 0.00 C ATOM 887 OD1 ASP A 54 67.956 -16.417 17.468 1.00 0.00 O ATOM 888 OD2 ASP A 54 66.031 -15.668 18.077 1.00 0.00 O ATOM 0 H ASP A 54 65.193 -17.733 13.924 1.00 0.00 H new ATOM 0 HA ASP A 54 66.273 -15.280 14.884 1.00 0.00 H new ATOM 0 HB2 ASP A 54 65.012 -16.992 16.239 1.00 0.00 H new ATOM 0 HB3 ASP A 54 66.388 -18.071 16.129 1.00 0.00 H new ATOM 893 N LYS A 55 68.485 -17.634 14.221 1.00 0.00 N ATOM 894 CA LYS A 55 69.950 -17.839 14.023 1.00 0.00 C ATOM 895 C LYS A 55 70.456 -16.833 12.991 1.00 0.00 C ATOM 896 O LYS A 55 71.461 -16.178 13.181 1.00 0.00 O ATOM 897 CB LYS A 55 70.207 -19.261 13.517 1.00 0.00 C ATOM 898 CG LYS A 55 71.711 -19.549 13.521 1.00 0.00 C ATOM 899 CD LYS A 55 71.952 -20.971 13.003 1.00 0.00 C ATOM 900 CE LYS A 55 73.452 -21.275 13.004 1.00 0.00 C ATOM 901 NZ LYS A 55 74.140 -20.390 12.023 1.00 0.00 N ATOM 0 H LYS A 55 67.898 -18.435 13.987 1.00 0.00 H new ATOM 0 HA LYS A 55 70.472 -17.695 14.969 1.00 0.00 H new ATOM 0 HB2 LYS A 55 69.688 -19.981 14.149 1.00 0.00 H new ATOM 0 HB3 LYS A 55 69.808 -19.376 12.509 1.00 0.00 H new ATOM 0 HG2 LYS A 55 72.234 -18.827 12.894 1.00 0.00 H new ATOM 0 HG3 LYS A 55 72.111 -19.444 14.529 1.00 0.00 H new ATOM 0 HD2 LYS A 55 71.425 -21.691 13.630 1.00 0.00 H new ATOM 0 HD3 LYS A 55 71.551 -21.073 11.994 1.00 0.00 H new ATOM 0 HE2 LYS A 55 73.864 -21.120 14.001 1.00 0.00 H new ATOM 0 HE3 LYS A 55 73.622 -22.321 12.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 75.068 -20.793 11.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 73.563 -20.312 11.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 74.270 -19.446 12.439 1.00 0.00 H new ATOM 915 N VAL A 56 69.762 -16.715 11.894 1.00 0.00 N ATOM 916 CA VAL A 56 70.190 -15.762 10.836 1.00 0.00 C ATOM 917 C VAL A 56 70.105 -14.332 11.372 1.00 0.00 C ATOM 918 O VAL A 56 70.957 -13.512 11.111 1.00 0.00 O ATOM 919 CB VAL A 56 69.271 -15.914 9.616 1.00 0.00 C ATOM 920 CG1 VAL A 56 69.548 -14.792 8.606 1.00 0.00 C ATOM 921 CG2 VAL A 56 69.522 -17.274 8.959 1.00 0.00 C ATOM 0 H VAL A 56 68.913 -17.241 11.685 1.00 0.00 H new ATOM 0 HA VAL A 56 71.218 -15.975 10.544 1.00 0.00 H new ATOM 0 HB VAL A 56 68.232 -15.850 9.938 1.00 0.00 H new ATOM 0 HG11 VAL A 56 68.891 -14.908 7.744 1.00 0.00 H new ATOM 0 HG12 VAL A 56 69.363 -13.826 9.076 1.00 0.00 H new ATOM 0 HG13 VAL A 56 70.587 -14.844 8.280 1.00 0.00 H new ATOM 0 HG21 VAL A 56 68.871 -17.385 8.092 1.00 0.00 H new ATOM 0 HG22 VAL A 56 70.563 -17.338 8.642 1.00 0.00 H new ATOM 0 HG23 VAL A 56 69.311 -18.068 9.675 1.00 0.00 H new ATOM 931 N MET A 57 69.083 -14.028 12.122 1.00 0.00 N ATOM 932 CA MET A 57 68.948 -12.647 12.669 1.00 0.00 C ATOM 933 C MET A 57 70.154 -12.313 13.546 1.00 0.00 C ATOM 934 O MET A 57 70.705 -11.233 13.473 1.00 0.00 O ATOM 935 CB MET A 57 67.666 -12.548 13.507 1.00 0.00 C ATOM 936 CG MET A 57 67.556 -11.148 14.121 1.00 0.00 C ATOM 937 SD MET A 57 65.946 -10.971 14.940 1.00 0.00 S ATOM 938 CE MET A 57 65.247 -9.705 13.851 1.00 0.00 C ATOM 0 H MET A 57 68.336 -14.673 12.380 1.00 0.00 H new ATOM 0 HA MET A 57 68.899 -11.940 11.841 1.00 0.00 H new ATOM 0 HB2 MET A 57 66.796 -12.751 12.883 1.00 0.00 H new ATOM 0 HB3 MET A 57 67.676 -13.301 14.295 1.00 0.00 H new ATOM 0 HG2 MET A 57 68.361 -10.990 14.839 1.00 0.00 H new ATOM 0 HG3 MET A 57 67.667 -10.390 13.346 1.00 0.00 H new ATOM 0 HE1 MET A 57 64.404 -9.223 14.347 1.00 0.00 H new ATOM 0 HE2 MET A 57 66.009 -8.959 13.624 1.00 0.00 H new ATOM 0 HE3 MET A 57 64.906 -10.169 12.925 1.00 0.00 H new ATOM 948 N GLU A 58 70.563 -13.222 14.384 1.00 0.00 N ATOM 949 CA GLU A 58 71.727 -12.937 15.272 1.00 0.00 C ATOM 950 C GLU A 58 72.961 -12.635 14.417 1.00 0.00 C ATOM 951 O GLU A 58 73.713 -11.722 14.694 1.00 0.00 O ATOM 952 CB GLU A 58 71.997 -14.151 16.164 1.00 0.00 C ATOM 953 CG GLU A 58 73.127 -13.827 17.145 1.00 0.00 C ATOM 954 CD GLU A 58 73.392 -15.039 18.038 1.00 0.00 C ATOM 955 OE1 GLU A 58 72.638 -15.993 17.945 1.00 0.00 O ATOM 956 OE2 GLU A 58 74.347 -14.995 18.795 1.00 0.00 O ATOM 0 H GLU A 58 70.146 -14.146 14.494 1.00 0.00 H new ATOM 0 HA GLU A 58 71.505 -12.073 15.899 1.00 0.00 H new ATOM 0 HB2 GLU A 58 71.094 -14.421 16.711 1.00 0.00 H new ATOM 0 HB3 GLU A 58 72.269 -15.011 15.552 1.00 0.00 H new ATOM 0 HG2 GLU A 58 74.032 -13.560 16.599 1.00 0.00 H new ATOM 0 HG3 GLU A 58 72.857 -12.965 17.755 1.00 0.00 H new ATOM 963 N THR A 59 73.165 -13.387 13.375 1.00 0.00 N ATOM 964 CA THR A 59 74.340 -13.145 12.485 1.00 0.00 C ATOM 965 C THR A 59 74.205 -11.786 11.798 1.00 0.00 C ATOM 966 O THR A 59 75.163 -11.057 11.639 1.00 0.00 O ATOM 967 CB THR A 59 74.409 -14.242 11.419 1.00 0.00 C ATOM 968 OG1 THR A 59 74.546 -15.507 12.052 1.00 0.00 O ATOM 969 CG2 THR A 59 75.600 -13.990 10.489 1.00 0.00 C ATOM 0 H THR A 59 72.567 -14.165 13.097 1.00 0.00 H new ATOM 0 HA THR A 59 75.249 -13.157 13.087 1.00 0.00 H new ATOM 0 HB THR A 59 73.493 -14.232 10.828 1.00 0.00 H new ATOM 0 HG1 THR A 59 73.692 -15.763 12.460 1.00 0.00 H new ATOM 0 HG21 THR A 59 75.643 -14.774 9.733 1.00 0.00 H new ATOM 0 HG22 THR A 59 75.483 -13.022 10.002 1.00 0.00 H new ATOM 0 HG23 THR A 59 76.522 -13.994 11.070 1.00 0.00 H new ATOM 977 N LEU A 60 73.017 -11.450 11.386 1.00 0.00 N ATOM 978 CA LEU A 60 72.807 -10.144 10.698 1.00 0.00 C ATOM 979 C LEU A 60 72.971 -8.989 11.690 1.00 0.00 C ATOM 980 O LEU A 60 73.521 -7.957 11.364 1.00 0.00 O ATOM 981 CB LEU A 60 71.404 -10.088 10.092 1.00 0.00 C ATOM 982 CG LEU A 60 71.254 -11.134 8.978 1.00 0.00 C ATOM 983 CD1 LEU A 60 69.794 -11.148 8.516 1.00 0.00 C ATOM 984 CD2 LEU A 60 72.170 -10.793 7.787 1.00 0.00 C ATOM 0 H LEU A 60 72.180 -12.023 11.495 1.00 0.00 H new ATOM 0 HA LEU A 60 73.550 -10.050 9.906 1.00 0.00 H new ATOM 0 HB2 LEU A 60 70.660 -10.266 10.868 1.00 0.00 H new ATOM 0 HB3 LEU A 60 71.215 -9.092 9.691 1.00 0.00 H new ATOM 0 HG LEU A 60 71.540 -12.114 9.361 1.00 0.00 H new ATOM 0 HD11 LEU A 60 69.670 -11.886 7.724 1.00 0.00 H new ATOM 0 HD12 LEU A 60 69.149 -11.405 9.356 1.00 0.00 H new ATOM 0 HD13 LEU A 60 69.522 -10.162 8.139 1.00 0.00 H new ATOM 0 HD21 LEU A 60 72.049 -11.546 7.008 1.00 0.00 H new ATOM 0 HD22 LEU A 60 71.902 -9.814 7.390 1.00 0.00 H new ATOM 0 HD23 LEU A 60 73.208 -10.778 8.119 1.00 0.00 H new ATOM 996 N ASP A 61 72.480 -9.141 12.887 1.00 0.00 N ATOM 997 CA ASP A 61 72.591 -8.031 13.879 1.00 0.00 C ATOM 998 C ASP A 61 74.057 -7.765 14.232 1.00 0.00 C ATOM 999 O ASP A 61 74.736 -8.592 14.806 1.00 0.00 O ATOM 1000 CB ASP A 61 71.819 -8.405 15.146 1.00 0.00 C ATOM 1001 CG ASP A 61 70.314 -8.355 14.868 1.00 0.00 C ATOM 1002 OD1 ASP A 61 69.930 -7.724 13.896 1.00 0.00 O ATOM 1003 OD2 ASP A 61 69.571 -8.950 15.631 1.00 0.00 O ATOM 0 H ASP A 61 72.008 -9.981 13.223 1.00 0.00 H new ATOM 0 HA ASP A 61 72.170 -7.126 13.441 1.00 0.00 H new ATOM 0 HB2 ASP A 61 72.105 -9.404 15.476 1.00 0.00 H new ATOM 0 HB3 ASP A 61 72.072 -7.718 15.954 1.00 0.00 H new ATOM 1008 N GLU A 62 74.542 -6.605 13.875 1.00 0.00 N ATOM 1009 CA GLU A 62 75.962 -6.253 14.167 1.00 0.00 C ATOM 1010 C GLU A 62 76.209 -6.291 15.678 1.00 0.00 C ATOM 1011 O GLU A 62 77.221 -6.783 16.135 1.00 0.00 O ATOM 1012 CB GLU A 62 76.257 -4.845 13.626 1.00 0.00 C ATOM 1013 CG GLU A 62 77.717 -4.459 13.901 1.00 0.00 C ATOM 1014 CD GLU A 62 78.655 -5.447 13.202 1.00 0.00 C ATOM 1015 OE1 GLU A 62 78.235 -6.039 12.220 1.00 0.00 O ATOM 1016 OE2 GLU A 62 79.777 -5.595 13.659 1.00 0.00 O ATOM 0 H GLU A 62 74.011 -5.881 13.390 1.00 0.00 H new ATOM 0 HA GLU A 62 76.621 -6.974 13.684 1.00 0.00 H new ATOM 0 HB2 GLU A 62 76.062 -4.812 12.554 1.00 0.00 H new ATOM 0 HB3 GLU A 62 75.589 -4.122 14.094 1.00 0.00 H new ATOM 0 HG2 GLU A 62 77.909 -3.447 13.544 1.00 0.00 H new ATOM 0 HG3 GLU A 62 77.907 -4.460 14.974 1.00 0.00 H new ATOM 1023 N ASP A 63 75.302 -5.761 16.461 1.00 0.00 N ATOM 1024 CA ASP A 63 75.497 -5.755 17.944 1.00 0.00 C ATOM 1025 C ASP A 63 74.799 -6.960 18.586 1.00 0.00 C ATOM 1026 O ASP A 63 74.918 -7.190 19.773 1.00 0.00 O ATOM 1027 CB ASP A 63 74.931 -4.455 18.523 1.00 0.00 C ATOM 1028 CG ASP A 63 73.457 -4.313 18.143 1.00 0.00 C ATOM 1029 OD1 ASP A 63 73.034 -4.988 17.219 1.00 0.00 O ATOM 1030 OD2 ASP A 63 72.778 -3.524 18.778 1.00 0.00 O ATOM 0 H ASP A 63 74.435 -5.332 16.137 1.00 0.00 H new ATOM 0 HA ASP A 63 76.563 -5.821 18.161 1.00 0.00 H new ATOM 0 HB2 ASP A 63 75.037 -4.453 19.608 1.00 0.00 H new ATOM 0 HB3 ASP A 63 75.496 -3.603 18.146 1.00 0.00 H new ATOM 1035 N GLY A 64 74.078 -7.736 17.822 1.00 0.00 N ATOM 1036 CA GLY A 64 73.391 -8.924 18.410 1.00 0.00 C ATOM 1037 C GLY A 64 72.235 -8.477 19.311 1.00 0.00 C ATOM 1038 O GLY A 64 71.935 -9.109 20.305 1.00 0.00 O ATOM 0 H GLY A 64 73.935 -7.601 16.821 1.00 0.00 H new ATOM 0 HA2 GLY A 64 73.013 -9.566 17.614 1.00 0.00 H new ATOM 0 HA3 GLY A 64 74.102 -9.516 18.986 1.00 0.00 H new ATOM 1042 N ASP A 65 71.587 -7.395 18.979 1.00 0.00 N ATOM 1043 CA ASP A 65 70.456 -6.913 19.824 1.00 0.00 C ATOM 1044 C ASP A 65 69.209 -7.759 19.553 1.00 0.00 C ATOM 1045 O ASP A 65 68.160 -7.529 20.119 1.00 0.00 O ATOM 1046 CB ASP A 65 70.157 -5.449 19.495 1.00 0.00 C ATOM 1047 CG ASP A 65 69.680 -5.338 18.046 1.00 0.00 C ATOM 1048 OD1 ASP A 65 69.943 -6.256 17.286 1.00 0.00 O ATOM 1049 OD2 ASP A 65 69.056 -4.342 17.721 1.00 0.00 O ATOM 0 H ASP A 65 71.791 -6.823 18.159 1.00 0.00 H new ATOM 0 HA ASP A 65 70.732 -7.002 20.875 1.00 0.00 H new ATOM 0 HB2 ASP A 65 69.394 -5.062 20.171 1.00 0.00 H new ATOM 0 HB3 ASP A 65 71.051 -4.842 19.642 1.00 0.00 H new ATOM 1054 N GLY A 66 69.317 -8.748 18.706 1.00 0.00 N ATOM 1055 CA GLY A 66 68.140 -9.618 18.419 1.00 0.00 C ATOM 1056 C GLY A 66 67.104 -8.851 17.595 1.00 0.00 C ATOM 1057 O GLY A 66 65.987 -9.296 17.417 1.00 0.00 O ATOM 0 H GLY A 66 70.169 -8.991 18.201 1.00 0.00 H new ATOM 0 HA2 GLY A 66 68.460 -10.508 17.877 1.00 0.00 H new ATOM 0 HA3 GLY A 66 67.693 -9.957 19.353 1.00 0.00 H new ATOM 1061 N GLU A 67 67.464 -7.706 17.084 1.00 0.00 N ATOM 1062 CA GLU A 67 66.518 -6.898 16.261 1.00 0.00 C ATOM 1063 C GLU A 67 67.316 -6.299 15.105 1.00 0.00 C ATOM 1064 O GLU A 67 68.526 -6.217 15.181 1.00 0.00 O ATOM 1065 CB GLU A 67 65.925 -5.780 17.120 1.00 0.00 C ATOM 1066 CG GLU A 67 65.012 -6.391 18.184 1.00 0.00 C ATOM 1067 CD GLU A 67 64.440 -5.282 19.067 1.00 0.00 C ATOM 1068 OE1 GLU A 67 64.903 -4.159 18.947 1.00 0.00 O ATOM 1069 OE2 GLU A 67 63.550 -5.573 19.848 1.00 0.00 O ATOM 0 H GLU A 67 68.387 -7.289 17.203 1.00 0.00 H new ATOM 0 HA GLU A 67 65.702 -7.515 15.883 1.00 0.00 H new ATOM 0 HB2 GLU A 67 66.723 -5.208 17.594 1.00 0.00 H new ATOM 0 HB3 GLU A 67 65.362 -5.086 16.496 1.00 0.00 H new ATOM 0 HG2 GLU A 67 64.203 -6.945 17.709 1.00 0.00 H new ATOM 0 HG3 GLU A 67 65.571 -7.102 18.792 1.00 0.00 H new ATOM 1076 N CYS A 68 66.679 -5.883 14.034 1.00 0.00 N ATOM 1077 CA CYS A 68 67.446 -5.298 12.885 1.00 0.00 C ATOM 1078 C CYS A 68 67.173 -3.795 12.789 1.00 0.00 C ATOM 1079 O CYS A 68 66.112 -3.366 12.375 1.00 0.00 O ATOM 1080 CB CYS A 68 67.003 -5.981 11.592 1.00 0.00 C ATOM 1081 SG CYS A 68 68.201 -5.619 10.290 1.00 0.00 S ATOM 0 H CYS A 68 65.668 -5.923 13.906 1.00 0.00 H new ATOM 0 HA CYS A 68 68.513 -5.456 13.041 1.00 0.00 H new ATOM 0 HB2 CYS A 68 66.926 -7.058 11.743 1.00 0.00 H new ATOM 0 HB3 CYS A 68 66.014 -5.629 11.301 1.00 0.00 H new ATOM 0 HG CYS A 68 67.731 -6.016 9.145 1.00 0.00 H new ATOM 1087 N ASP A 69 68.120 -2.997 13.200 1.00 0.00 N ATOM 1088 CA ASP A 69 67.938 -1.518 13.171 1.00 0.00 C ATOM 1089 C ASP A 69 67.918 -1.003 11.730 1.00 0.00 C ATOM 1090 O ASP A 69 68.147 -1.731 10.785 1.00 0.00 O ATOM 1091 CB ASP A 69 69.093 -0.856 13.927 1.00 0.00 C ATOM 1092 CG ASP A 69 68.994 -1.203 15.414 1.00 0.00 C ATOM 1093 OD1 ASP A 69 67.924 -1.604 15.838 1.00 0.00 O ATOM 1094 OD2 ASP A 69 69.994 -1.069 16.100 1.00 0.00 O ATOM 0 H ASP A 69 69.022 -3.310 13.559 1.00 0.00 H new ATOM 0 HA ASP A 69 66.987 -1.272 13.643 1.00 0.00 H new ATOM 0 HB2 ASP A 69 70.047 -1.197 13.526 1.00 0.00 H new ATOM 0 HB3 ASP A 69 69.058 0.225 13.792 1.00 0.00 H new ATOM 1099 N PHE A 70 67.652 0.266 11.573 1.00 0.00 N ATOM 1100 CA PHE A 70 67.623 0.865 10.208 1.00 0.00 C ATOM 1101 C PHE A 70 68.996 0.691 9.552 1.00 0.00 C ATOM 1102 O PHE A 70 69.111 0.244 8.429 1.00 0.00 O ATOM 1103 CB PHE A 70 67.308 2.358 10.304 1.00 0.00 C ATOM 1104 CG PHE A 70 67.255 2.947 8.915 1.00 0.00 C ATOM 1105 CD1 PHE A 70 68.425 3.427 8.314 1.00 0.00 C ATOM 1106 CD2 PHE A 70 66.039 3.009 8.226 1.00 0.00 C ATOM 1107 CE1 PHE A 70 68.378 3.969 7.024 1.00 0.00 C ATOM 1108 CE2 PHE A 70 65.991 3.550 6.936 1.00 0.00 C ATOM 1109 CZ PHE A 70 67.161 4.031 6.335 1.00 0.00 C ATOM 0 H PHE A 70 67.453 0.915 12.334 1.00 0.00 H new ATOM 0 HA PHE A 70 66.857 0.367 9.614 1.00 0.00 H new ATOM 0 HB2 PHE A 70 66.355 2.508 10.812 1.00 0.00 H new ATOM 0 HB3 PHE A 70 68.069 2.865 10.897 1.00 0.00 H new ATOM 0 HD1 PHE A 70 69.364 3.379 8.846 1.00 0.00 H new ATOM 0 HD2 PHE A 70 65.137 2.639 8.690 1.00 0.00 H new ATOM 0 HE1 PHE A 70 69.281 4.339 6.561 1.00 0.00 H new ATOM 0 HE2 PHE A 70 65.052 3.597 6.404 1.00 0.00 H new ATOM 0 HZ PHE A 70 67.124 4.450 5.340 1.00 0.00 H new ATOM 1119 N GLN A 71 70.037 1.056 10.249 1.00 0.00 N ATOM 1120 CA GLN A 71 71.405 0.932 9.669 1.00 0.00 C ATOM 1121 C GLN A 71 71.690 -0.534 9.329 1.00 0.00 C ATOM 1122 O GLN A 71 72.032 -0.857 8.209 1.00 0.00 O ATOM 1123 CB GLN A 71 72.424 1.460 10.682 1.00 0.00 C ATOM 1124 CG GLN A 71 73.839 1.344 10.114 1.00 0.00 C ATOM 1125 CD GLN A 71 74.829 1.957 11.109 1.00 0.00 C ATOM 1126 OE1 GLN A 71 74.431 2.617 12.049 1.00 0.00 O ATOM 1127 NE2 GLN A 71 76.109 1.760 10.947 1.00 0.00 N ATOM 0 H GLN A 71 70.000 1.435 11.195 1.00 0.00 H new ATOM 0 HA GLN A 71 71.478 1.517 8.752 1.00 0.00 H new ATOM 0 HB2 GLN A 71 72.204 2.500 10.922 1.00 0.00 H new ATOM 0 HB3 GLN A 71 72.350 0.896 11.612 1.00 0.00 H new ATOM 0 HG2 GLN A 71 74.087 0.298 9.932 1.00 0.00 H new ATOM 0 HG3 GLN A 71 73.903 1.858 9.155 1.00 0.00 H new ATOM 0 HE21 GLN A 71 76.444 1.206 10.159 1.00 0.00 H new ATOM 0 HE22 GLN A 71 76.774 2.160 11.609 1.00 0.00 H new ATOM 1136 N GLU A 72 71.552 -1.430 10.270 1.00 0.00 N ATOM 1137 CA GLU A 72 71.822 -2.863 9.950 1.00 0.00 C ATOM 1138 C GLU A 72 70.859 -3.273 8.841 1.00 0.00 C ATOM 1139 O GLU A 72 71.231 -3.895 7.866 1.00 0.00 O ATOM 1140 CB GLU A 72 71.566 -3.720 11.193 1.00 0.00 C ATOM 1141 CG GLU A 72 72.647 -3.444 12.240 1.00 0.00 C ATOM 1142 CD GLU A 72 72.335 -4.239 13.510 1.00 0.00 C ATOM 1143 OE1 GLU A 72 71.270 -4.831 13.569 1.00 0.00 O ATOM 1144 OE2 GLU A 72 73.166 -4.240 14.404 1.00 0.00 O ATOM 0 H GLU A 72 71.269 -1.237 11.231 1.00 0.00 H new ATOM 0 HA GLU A 72 72.856 -3.002 9.635 1.00 0.00 H new ATOM 0 HB2 GLU A 72 70.582 -3.496 11.605 1.00 0.00 H new ATOM 0 HB3 GLU A 72 71.567 -4.777 10.925 1.00 0.00 H new ATOM 0 HG2 GLU A 72 73.626 -3.726 11.852 1.00 0.00 H new ATOM 0 HG3 GLU A 72 72.688 -2.378 12.465 1.00 0.00 H new ATOM 1151 N PHE A 73 69.617 -2.917 8.998 1.00 0.00 N ATOM 1152 CA PHE A 73 68.606 -3.268 7.962 1.00 0.00 C ATOM 1153 C PHE A 73 69.178 -2.893 6.594 1.00 0.00 C ATOM 1154 O PHE A 73 69.014 -3.605 5.625 1.00 0.00 O ATOM 1155 CB PHE A 73 67.300 -2.515 8.209 1.00 0.00 C ATOM 1156 CG PHE A 73 66.347 -2.794 7.070 1.00 0.00 C ATOM 1157 CD1 PHE A 73 65.584 -3.966 7.068 1.00 0.00 C ATOM 1158 CD2 PHE A 73 66.236 -1.883 6.016 1.00 0.00 C ATOM 1159 CE1 PHE A 73 64.704 -4.226 6.008 1.00 0.00 C ATOM 1160 CE2 PHE A 73 65.357 -2.141 4.957 1.00 0.00 C ATOM 1161 CZ PHE A 73 64.591 -3.312 4.954 1.00 0.00 C ATOM 0 H PHE A 73 69.257 -2.398 9.799 1.00 0.00 H new ATOM 0 HA PHE A 73 68.389 -4.335 8.003 1.00 0.00 H new ATOM 0 HB2 PHE A 73 66.858 -2.828 9.155 1.00 0.00 H new ATOM 0 HB3 PHE A 73 67.491 -1.445 8.286 1.00 0.00 H new ATOM 0 HD1 PHE A 73 65.673 -4.670 7.882 1.00 0.00 H new ATOM 0 HD2 PHE A 73 66.828 -0.980 6.018 1.00 0.00 H new ATOM 0 HE1 PHE A 73 64.114 -5.131 6.005 1.00 0.00 H new ATOM 0 HE2 PHE A 73 65.270 -1.437 4.143 1.00 0.00 H new ATOM 0 HZ PHE A 73 63.912 -3.511 4.138 1.00 0.00 H new ATOM 1171 N MET A 74 69.878 -1.797 6.522 1.00 0.00 N ATOM 1172 CA MET A 74 70.497 -1.388 5.231 1.00 0.00 C ATOM 1173 C MET A 74 71.590 -2.401 4.868 1.00 0.00 C ATOM 1174 O MET A 74 71.854 -2.661 3.712 1.00 0.00 O ATOM 1175 CB MET A 74 71.116 0.004 5.370 1.00 0.00 C ATOM 1176 CG MET A 74 71.509 0.525 3.985 1.00 0.00 C ATOM 1177 SD MET A 74 70.017 1.036 3.093 1.00 0.00 S ATOM 1178 CE MET A 74 70.775 1.238 1.462 1.00 0.00 C ATOM 0 H MET A 74 70.049 -1.165 7.304 1.00 0.00 H new ATOM 0 HA MET A 74 69.737 -1.361 4.450 1.00 0.00 H new ATOM 0 HB2 MET A 74 70.406 0.685 5.839 1.00 0.00 H new ATOM 0 HB3 MET A 74 71.992 -0.038 6.017 1.00 0.00 H new ATOM 0 HG2 MET A 74 72.195 1.366 4.081 1.00 0.00 H new ATOM 0 HG3 MET A 74 72.033 -0.251 3.427 1.00 0.00 H new ATOM 0 HE1 MET A 74 70.067 1.722 0.789 1.00 0.00 H new ATOM 0 HE2 MET A 74 71.671 1.853 1.551 1.00 0.00 H new ATOM 0 HE3 MET A 74 71.044 0.260 1.062 1.00 0.00 H new ATOM 1188 N ALA A 75 72.212 -2.994 5.856 1.00 0.00 N ATOM 1189 CA ALA A 75 73.261 -4.013 5.566 1.00 0.00 C ATOM 1190 C ALA A 75 72.585 -5.179 4.850 1.00 0.00 C ATOM 1191 O ALA A 75 72.991 -5.604 3.786 1.00 0.00 O ATOM 1192 CB ALA A 75 73.886 -4.503 6.877 1.00 0.00 C ATOM 0 H ALA A 75 72.039 -2.816 6.845 1.00 0.00 H new ATOM 0 HA ALA A 75 74.049 -3.586 4.946 1.00 0.00 H new ATOM 0 HB1 ALA A 75 74.652 -5.247 6.659 1.00 0.00 H new ATOM 0 HB2 ALA A 75 74.337 -3.661 7.402 1.00 0.00 H new ATOM 0 HB3 ALA A 75 73.114 -4.949 7.504 1.00 0.00 H new ATOM 1198 N PHE A 76 71.553 -5.694 5.450 1.00 0.00 N ATOM 1199 CA PHE A 76 70.828 -6.839 4.841 1.00 0.00 C ATOM 1200 C PHE A 76 70.419 -6.434 3.425 1.00 0.00 C ATOM 1201 O PHE A 76 70.527 -7.198 2.489 1.00 0.00 O ATOM 1202 CB PHE A 76 69.586 -7.146 5.676 1.00 0.00 C ATOM 1203 CG PHE A 76 68.895 -8.362 5.117 1.00 0.00 C ATOM 1204 CD1 PHE A 76 69.346 -9.637 5.472 1.00 0.00 C ATOM 1205 CD2 PHE A 76 67.813 -8.217 4.246 1.00 0.00 C ATOM 1206 CE1 PHE A 76 68.714 -10.772 4.956 1.00 0.00 C ATOM 1207 CE2 PHE A 76 67.178 -9.353 3.728 1.00 0.00 C ATOM 1208 CZ PHE A 76 67.629 -10.631 4.084 1.00 0.00 C ATOM 0 H PHE A 76 71.178 -5.369 6.341 1.00 0.00 H new ATOM 0 HA PHE A 76 71.459 -7.727 4.809 1.00 0.00 H new ATOM 0 HB2 PHE A 76 69.867 -7.319 6.715 1.00 0.00 H new ATOM 0 HB3 PHE A 76 68.908 -6.293 5.667 1.00 0.00 H new ATOM 0 HD1 PHE A 76 70.183 -9.745 6.145 1.00 0.00 H new ATOM 0 HD2 PHE A 76 67.467 -7.231 3.972 1.00 0.00 H new ATOM 0 HE1 PHE A 76 69.063 -11.757 5.230 1.00 0.00 H new ATOM 0 HE2 PHE A 76 66.341 -9.244 3.054 1.00 0.00 H new ATOM 0 HZ PHE A 76 67.139 -11.507 3.685 1.00 0.00 H new ATOM 1218 N VAL A 77 69.994 -5.215 3.265 1.00 0.00 N ATOM 1219 CA VAL A 77 69.628 -4.736 1.905 1.00 0.00 C ATOM 1220 C VAL A 77 70.872 -4.838 1.012 1.00 0.00 C ATOM 1221 O VAL A 77 70.810 -5.315 -0.104 1.00 0.00 O ATOM 1222 CB VAL A 77 69.138 -3.284 1.971 1.00 0.00 C ATOM 1223 CG1 VAL A 77 69.006 -2.714 0.552 1.00 0.00 C ATOM 1224 CG2 VAL A 77 67.771 -3.249 2.660 1.00 0.00 C ATOM 0 H VAL A 77 69.884 -4.531 4.014 1.00 0.00 H new ATOM 0 HA VAL A 77 68.823 -5.346 1.495 1.00 0.00 H new ATOM 0 HB VAL A 77 69.854 -2.684 2.533 1.00 0.00 H new ATOM 0 HG11 VAL A 77 68.658 -1.683 0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 77 69.976 -2.744 0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 77 68.290 -3.310 -0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 77 67.415 -2.220 2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 77 67.062 -3.850 2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 77 67.862 -3.652 3.669 1.00 0.00 H new ATOM 1234 N SER A 78 72.003 -4.391 1.501 1.00 0.00 N ATOM 1235 CA SER A 78 73.256 -4.460 0.690 1.00 0.00 C ATOM 1236 C SER A 78 73.635 -5.921 0.439 1.00 0.00 C ATOM 1237 O SER A 78 74.047 -6.290 -0.642 1.00 0.00 O ATOM 1238 CB SER A 78 74.390 -3.775 1.452 1.00 0.00 C ATOM 1239 OG SER A 78 74.743 -4.567 2.578 1.00 0.00 O ATOM 0 H SER A 78 72.111 -3.981 2.429 1.00 0.00 H new ATOM 0 HA SER A 78 73.092 -3.959 -0.264 1.00 0.00 H new ATOM 0 HB2 SER A 78 75.254 -3.643 0.800 1.00 0.00 H new ATOM 0 HB3 SER A 78 74.079 -2.781 1.775 1.00 0.00 H new ATOM 0 HG SER A 78 73.930 -4.870 3.033 1.00 0.00 H new ATOM 1245 N MET A 79 73.524 -6.749 1.437 1.00 0.00 N ATOM 1246 CA MET A 79 73.906 -8.177 1.259 1.00 0.00 C ATOM 1247 C MET A 79 73.123 -8.750 0.082 1.00 0.00 C ATOM 1248 O MET A 79 73.648 -9.488 -0.727 1.00 0.00 O ATOM 1249 CB MET A 79 73.573 -8.957 2.536 1.00 0.00 C ATOM 1250 CG MET A 79 74.167 -10.367 2.460 1.00 0.00 C ATOM 1251 SD MET A 79 75.944 -10.298 2.807 1.00 0.00 S ATOM 1252 CE MET A 79 75.839 -10.486 4.606 1.00 0.00 C ATOM 0 H MET A 79 73.186 -6.501 2.367 1.00 0.00 H new ATOM 0 HA MET A 79 74.975 -8.258 1.063 1.00 0.00 H new ATOM 0 HB2 MET A 79 73.970 -8.433 3.406 1.00 0.00 H new ATOM 0 HB3 MET A 79 72.492 -9.015 2.665 1.00 0.00 H new ATOM 0 HG2 MET A 79 73.671 -11.020 3.178 1.00 0.00 H new ATOM 0 HG3 MET A 79 73.996 -10.792 1.471 1.00 0.00 H new ATOM 0 HE1 MET A 79 76.842 -10.470 5.033 1.00 0.00 H new ATOM 0 HE2 MET A 79 75.254 -9.667 5.024 1.00 0.00 H new ATOM 0 HE3 MET A 79 75.358 -11.434 4.845 1.00 0.00 H new ATOM 1262 N VAL A 80 71.877 -8.394 -0.039 1.00 0.00 N ATOM 1263 CA VAL A 80 71.074 -8.894 -1.184 1.00 0.00 C ATOM 1264 C VAL A 80 71.586 -8.228 -2.467 1.00 0.00 C ATOM 1265 O VAL A 80 71.589 -8.820 -3.528 1.00 0.00 O ATOM 1266 CB VAL A 80 69.595 -8.563 -0.976 1.00 0.00 C ATOM 1267 CG1 VAL A 80 68.810 -8.925 -2.239 1.00 0.00 C ATOM 1268 CG2 VAL A 80 69.056 -9.371 0.208 1.00 0.00 C ATOM 0 H VAL A 80 71.381 -7.779 0.606 1.00 0.00 H new ATOM 0 HA VAL A 80 71.175 -9.977 -1.261 1.00 0.00 H new ATOM 0 HB VAL A 80 69.484 -7.498 -0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 80 67.756 -8.690 -2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 80 69.195 -8.353 -3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 80 68.919 -9.990 -2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 80 68.002 -9.137 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 80 69.165 -10.436 0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 80 69.616 -9.116 1.108 1.00 0.00 H new ATOM 1278 N THR A 81 72.035 -7.001 -2.372 1.00 0.00 N ATOM 1279 CA THR A 81 72.563 -6.306 -3.582 1.00 0.00 C ATOM 1280 C THR A 81 73.790 -7.059 -4.103 1.00 0.00 C ATOM 1281 O THR A 81 73.915 -7.315 -5.284 1.00 0.00 O ATOM 1282 CB THR A 81 72.956 -4.866 -3.232 1.00 0.00 C ATOM 1283 OG1 THR A 81 71.816 -4.166 -2.754 1.00 0.00 O ATOM 1284 CG2 THR A 81 73.501 -4.167 -4.481 1.00 0.00 C ATOM 0 H THR A 81 72.058 -6.454 -1.511 1.00 0.00 H new ATOM 0 HA THR A 81 71.790 -6.286 -4.350 1.00 0.00 H new ATOM 0 HB THR A 81 73.724 -4.877 -2.459 1.00 0.00 H new ATOM 0 HG1 THR A 81 71.521 -4.561 -1.907 1.00 0.00 H new ATOM 0 HG21 THR A 81 73.780 -3.143 -4.232 1.00 0.00 H new ATOM 0 HG22 THR A 81 74.377 -4.704 -4.845 1.00 0.00 H new ATOM 0 HG23 THR A 81 72.734 -4.156 -5.256 1.00 0.00 H new ATOM 1292 N THR A 82 74.694 -7.429 -3.231 1.00 0.00 N ATOM 1293 CA THR A 82 75.898 -8.174 -3.686 1.00 0.00 C ATOM 1294 C THR A 82 75.466 -9.558 -4.172 1.00 0.00 C ATOM 1295 O THR A 82 75.795 -9.978 -5.263 1.00 0.00 O ATOM 1296 CB THR A 82 76.868 -8.327 -2.513 1.00 0.00 C ATOM 1297 OG1 THR A 82 76.170 -8.849 -1.391 1.00 0.00 O ATOM 1298 CG2 THR A 82 77.471 -6.967 -2.155 1.00 0.00 C ATOM 0 H THR A 82 74.647 -7.246 -2.229 1.00 0.00 H new ATOM 0 HA THR A 82 76.389 -7.634 -4.495 1.00 0.00 H new ATOM 0 HB THR A 82 77.670 -9.009 -2.795 1.00 0.00 H new ATOM 0 HG1 THR A 82 76.789 -8.949 -0.638 1.00 0.00 H new ATOM 0 HG21 THR A 82 78.161 -7.083 -1.319 1.00 0.00 H new ATOM 0 HG22 THR A 82 78.008 -6.569 -3.016 1.00 0.00 H new ATOM 0 HG23 THR A 82 76.674 -6.278 -1.875 1.00 0.00 H new ATOM 1306 N ALA A 83 74.735 -10.272 -3.359 1.00 0.00 N ATOM 1307 CA ALA A 83 74.286 -11.636 -3.760 1.00 0.00 C ATOM 1308 C ALA A 83 73.710 -11.581 -5.177 1.00 0.00 C ATOM 1309 O ALA A 83 73.933 -12.462 -5.983 1.00 0.00 O ATOM 1310 CB ALA A 83 73.213 -12.127 -2.782 1.00 0.00 C ATOM 0 H ALA A 83 74.429 -9.969 -2.434 1.00 0.00 H new ATOM 0 HA ALA A 83 75.132 -12.324 -3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 83 72.884 -13.124 -3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 83 73.628 -12.162 -1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 83 72.364 -11.444 -2.801 1.00 0.00 H new ATOM 1316 N CYS A 84 72.973 -10.550 -5.486 1.00 0.00 N ATOM 1317 CA CYS A 84 72.390 -10.440 -6.854 1.00 0.00 C ATOM 1318 C CYS A 84 73.526 -10.440 -7.879 1.00 0.00 C ATOM 1319 O CYS A 84 74.547 -9.810 -7.685 1.00 0.00 O ATOM 1320 CB CYS A 84 71.604 -9.133 -6.969 1.00 0.00 C ATOM 1321 SG CYS A 84 70.888 -9.006 -8.626 1.00 0.00 S ATOM 0 H CYS A 84 72.750 -9.781 -4.854 1.00 0.00 H new ATOM 0 HA CYS A 84 71.722 -11.281 -7.040 1.00 0.00 H new ATOM 0 HB2 CYS A 84 70.816 -9.103 -6.217 1.00 0.00 H new ATOM 0 HB3 CYS A 84 72.260 -8.283 -6.778 1.00 0.00 H new ATOM 0 HG CYS A 84 70.217 -7.897 -8.725 1.00 0.00 H new ATOM 1450 N SER B 1 57.882 -6.297 -7.660 1.00 0.00 N ATOM 1451 CA SER B 1 59.119 -6.217 -6.836 1.00 0.00 C ATOM 1452 C SER B 1 59.761 -4.840 -7.020 1.00 0.00 C ATOM 1453 O SER B 1 60.841 -4.713 -7.561 1.00 0.00 O ATOM 1454 CB SER B 1 60.099 -7.307 -7.271 1.00 0.00 C ATOM 1455 OG SER B 1 60.625 -6.984 -8.552 1.00 0.00 O ATOM 0 H1 SER B 1 57.443 -7.232 -7.537 1.00 0.00 H new ATOM 0 H2 SER B 1 57.215 -5.559 -7.357 1.00 0.00 H new ATOM 0 H3 SER B 1 58.123 -6.156 -8.662 1.00 0.00 H new ATOM 0 HA SER B 1 58.868 -6.363 -5.785 1.00 0.00 H new ATOM 0 HB2 SER B 1 60.907 -7.396 -6.545 1.00 0.00 H new ATOM 0 HB3 SER B 1 59.595 -8.273 -7.306 1.00 0.00 H new ATOM 0 HG SER B 1 60.896 -6.042 -8.566 1.00 0.00 H new ATOM 1463 N GLU B 2 59.096 -3.811 -6.574 1.00 0.00 N ATOM 1464 CA GLU B 2 59.646 -2.432 -6.717 1.00 0.00 C ATOM 1465 C GLU B 2 60.989 -2.330 -5.988 1.00 0.00 C ATOM 1466 O GLU B 2 61.878 -1.611 -6.402 1.00 0.00 O ATOM 1467 CB GLU B 2 58.662 -1.427 -6.104 1.00 0.00 C ATOM 1468 CG GLU B 2 57.402 -1.330 -6.972 1.00 0.00 C ATOM 1469 CD GLU B 2 56.536 -2.577 -6.773 1.00 0.00 C ATOM 1470 OE1 GLU B 2 56.831 -3.342 -5.870 1.00 0.00 O ATOM 1471 OE2 GLU B 2 55.596 -2.748 -7.531 1.00 0.00 O ATOM 0 H GLU B 2 58.188 -3.866 -6.113 1.00 0.00 H new ATOM 0 HA GLU B 2 59.791 -2.211 -7.774 1.00 0.00 H new ATOM 0 HB2 GLU B 2 58.395 -1.737 -5.094 1.00 0.00 H new ATOM 0 HB3 GLU B 2 59.133 -0.448 -6.022 1.00 0.00 H new ATOM 0 HG2 GLU B 2 56.836 -0.437 -6.708 1.00 0.00 H new ATOM 0 HG3 GLU B 2 57.679 -1.233 -8.022 1.00 0.00 H new ATOM 1478 N LEU B 3 61.146 -3.045 -4.908 1.00 0.00 N ATOM 1479 CA LEU B 3 62.428 -2.998 -4.150 1.00 0.00 C ATOM 1480 C LEU B 3 63.546 -3.649 -4.970 1.00 0.00 C ATOM 1481 O LEU B 3 64.686 -3.235 -4.918 1.00 0.00 O ATOM 1482 CB LEU B 3 62.252 -3.755 -2.827 1.00 0.00 C ATOM 1483 CG LEU B 3 63.554 -3.731 -2.010 1.00 0.00 C ATOM 1484 CD1 LEU B 3 63.934 -2.282 -1.656 1.00 0.00 C ATOM 1485 CD2 LEU B 3 63.346 -4.544 -0.726 1.00 0.00 C ATOM 0 H LEU B 3 60.436 -3.664 -4.516 1.00 0.00 H new ATOM 0 HA LEU B 3 62.696 -1.960 -3.951 1.00 0.00 H new ATOM 0 HB2 LEU B 3 61.446 -3.304 -2.249 1.00 0.00 H new ATOM 0 HB3 LEU B 3 61.962 -4.786 -3.028 1.00 0.00 H new ATOM 0 HG LEU B 3 64.362 -4.166 -2.598 1.00 0.00 H new ATOM 0 HD11 LEU B 3 64.858 -2.279 -1.077 1.00 0.00 H new ATOM 0 HD12 LEU B 3 64.078 -1.709 -2.572 1.00 0.00 H new ATOM 0 HD13 LEU B 3 63.136 -1.830 -1.067 1.00 0.00 H new ATOM 0 HD21 LEU B 3 64.263 -4.535 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU B 3 62.536 -4.104 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU B 3 63.090 -5.572 -0.984 1.00 0.00 H new ATOM 1497 N GLU B 4 63.232 -4.662 -5.732 1.00 0.00 N ATOM 1498 CA GLU B 4 64.285 -5.325 -6.551 1.00 0.00 C ATOM 1499 C GLU B 4 64.869 -4.313 -7.534 1.00 0.00 C ATOM 1500 O GLU B 4 66.061 -4.273 -7.764 1.00 0.00 O ATOM 1501 CB GLU B 4 63.666 -6.503 -7.318 1.00 0.00 C ATOM 1502 CG GLU B 4 64.734 -7.222 -8.154 1.00 0.00 C ATOM 1503 CD GLU B 4 65.774 -7.861 -7.228 1.00 0.00 C ATOM 1504 OE1 GLU B 4 65.493 -7.986 -6.048 1.00 0.00 O ATOM 1505 OE2 GLU B 4 66.833 -8.218 -7.718 1.00 0.00 O ATOM 0 H GLU B 4 62.296 -5.057 -5.822 1.00 0.00 H new ATOM 0 HA GLU B 4 65.079 -5.697 -5.903 1.00 0.00 H new ATOM 0 HB2 GLU B 4 63.213 -7.203 -6.616 1.00 0.00 H new ATOM 0 HB3 GLU B 4 62.869 -6.142 -7.968 1.00 0.00 H new ATOM 0 HG2 GLU B 4 64.268 -7.987 -8.776 1.00 0.00 H new ATOM 0 HG3 GLU B 4 65.219 -6.515 -8.827 1.00 0.00 H new ATOM 1512 N LYS B 5 64.039 -3.500 -8.124 1.00 0.00 N ATOM 1513 CA LYS B 5 64.540 -2.493 -9.101 1.00 0.00 C ATOM 1514 C LYS B 5 65.535 -1.555 -8.419 1.00 0.00 C ATOM 1515 O LYS B 5 66.531 -1.165 -8.995 1.00 0.00 O ATOM 1516 CB LYS B 5 63.370 -1.673 -9.647 1.00 0.00 C ATOM 1517 CG LYS B 5 62.498 -2.551 -10.550 1.00 0.00 C ATOM 1518 CD LYS B 5 61.333 -1.719 -11.089 1.00 0.00 C ATOM 1519 CE LYS B 5 60.453 -2.585 -11.993 1.00 0.00 C ATOM 1520 NZ LYS B 5 59.767 -3.620 -11.170 1.00 0.00 N ATOM 0 H LYS B 5 63.031 -3.489 -7.971 1.00 0.00 H new ATOM 0 HA LYS B 5 65.035 -3.014 -9.920 1.00 0.00 H new ATOM 0 HB2 LYS B 5 62.775 -1.278 -8.823 1.00 0.00 H new ATOM 0 HB3 LYS B 5 63.744 -0.817 -10.208 1.00 0.00 H new ATOM 0 HG2 LYS B 5 63.091 -2.946 -11.375 1.00 0.00 H new ATOM 0 HG3 LYS B 5 62.121 -3.407 -9.990 1.00 0.00 H new ATOM 0 HD2 LYS B 5 60.743 -1.324 -10.262 1.00 0.00 H new ATOM 0 HD3 LYS B 5 61.713 -0.863 -11.647 1.00 0.00 H new ATOM 0 HE2 LYS B 5 59.717 -1.965 -12.505 1.00 0.00 H new ATOM 0 HE3 LYS B 5 61.060 -3.061 -12.763 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 58.968 -4.015 -11.705 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 60.438 -4.380 -10.938 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 59.416 -3.188 -10.292 1.00 0.00 H new ATOM 1534 N ALA B 6 65.267 -1.179 -7.201 1.00 0.00 N ATOM 1535 CA ALA B 6 66.196 -0.254 -6.493 1.00 0.00 C ATOM 1536 C ALA B 6 67.574 -0.906 -6.395 1.00 0.00 C ATOM 1537 O ALA B 6 68.586 -0.281 -6.644 1.00 0.00 O ATOM 1538 CB ALA B 6 65.662 0.026 -5.087 1.00 0.00 C ATOM 0 H ALA B 6 64.449 -1.470 -6.666 1.00 0.00 H new ATOM 0 HA ALA B 6 66.272 0.683 -7.044 1.00 0.00 H new ATOM 0 HB1 ALA B 6 66.341 0.703 -4.568 1.00 0.00 H new ATOM 0 HB2 ALA B 6 64.676 0.485 -5.157 1.00 0.00 H new ATOM 0 HB3 ALA B 6 65.588 -0.910 -4.533 1.00 0.00 H new ATOM 1544 N MET B 7 67.622 -2.159 -6.048 1.00 0.00 N ATOM 1545 CA MET B 7 68.935 -2.851 -5.950 1.00 0.00 C ATOM 1546 C MET B 7 69.543 -2.969 -7.349 1.00 0.00 C ATOM 1547 O MET B 7 70.699 -2.665 -7.568 1.00 0.00 O ATOM 1548 CB MET B 7 68.713 -4.254 -5.384 1.00 0.00 C ATOM 1549 CG MET B 7 68.083 -4.160 -3.993 1.00 0.00 C ATOM 1550 SD MET B 7 67.822 -5.832 -3.345 1.00 0.00 S ATOM 1551 CE MET B 7 67.043 -5.375 -1.774 1.00 0.00 C ATOM 0 H MET B 7 66.809 -2.735 -5.828 1.00 0.00 H new ATOM 0 HA MET B 7 69.606 -2.288 -5.301 1.00 0.00 H new ATOM 0 HB2 MET B 7 68.065 -4.825 -6.049 1.00 0.00 H new ATOM 0 HB3 MET B 7 69.662 -4.787 -5.328 1.00 0.00 H new ATOM 0 HG2 MET B 7 68.732 -3.595 -3.324 1.00 0.00 H new ATOM 0 HG3 MET B 7 67.135 -3.625 -4.045 1.00 0.00 H new ATOM 0 HE1 MET B 7 67.624 -5.784 -0.947 1.00 0.00 H new ATOM 0 HE2 MET B 7 67.006 -4.289 -1.689 1.00 0.00 H new ATOM 0 HE3 MET B 7 66.030 -5.776 -1.740 1.00 0.00 H new ATOM 1561 N VAL B 8 68.765 -3.423 -8.295 1.00 0.00 N ATOM 1562 CA VAL B 8 69.271 -3.589 -9.686 1.00 0.00 C ATOM 1563 C VAL B 8 69.732 -2.244 -10.259 1.00 0.00 C ATOM 1564 O VAL B 8 70.733 -2.168 -10.944 1.00 0.00 O ATOM 1565 CB VAL B 8 68.143 -4.165 -10.548 1.00 0.00 C ATOM 1566 CG1 VAL B 8 68.531 -4.121 -12.029 1.00 0.00 C ATOM 1567 CG2 VAL B 8 67.886 -5.617 -10.134 1.00 0.00 C ATOM 0 H VAL B 8 67.789 -3.689 -8.160 1.00 0.00 H new ATOM 0 HA VAL B 8 70.126 -4.265 -9.683 1.00 0.00 H new ATOM 0 HB VAL B 8 67.242 -3.569 -10.401 1.00 0.00 H new ATOM 0 HG11 VAL B 8 67.720 -4.533 -12.630 1.00 0.00 H new ATOM 0 HG12 VAL B 8 68.714 -3.089 -12.327 1.00 0.00 H new ATOM 0 HG13 VAL B 8 69.435 -4.710 -12.186 1.00 0.00 H new ATOM 0 HG21 VAL B 8 67.084 -6.033 -10.744 1.00 0.00 H new ATOM 0 HG22 VAL B 8 68.794 -6.203 -10.279 1.00 0.00 H new ATOM 0 HG23 VAL B 8 67.597 -5.650 -9.083 1.00 0.00 H new ATOM 1577 N ALA B 9 69.014 -1.185 -10.008 1.00 0.00 N ATOM 1578 CA ALA B 9 69.429 0.132 -10.568 1.00 0.00 C ATOM 1579 C ALA B 9 70.821 0.511 -10.060 1.00 0.00 C ATOM 1580 O ALA B 9 71.635 1.043 -10.790 1.00 0.00 O ATOM 1581 CB ALA B 9 68.421 1.204 -10.146 1.00 0.00 C ATOM 0 H ALA B 9 68.164 -1.173 -9.444 1.00 0.00 H new ATOM 0 HA ALA B 9 69.459 0.061 -11.655 1.00 0.00 H new ATOM 0 HB1 ALA B 9 68.723 2.168 -10.555 1.00 0.00 H new ATOM 0 HB2 ALA B 9 67.433 0.943 -10.524 1.00 0.00 H new ATOM 0 HB3 ALA B 9 68.389 1.265 -9.058 1.00 0.00 H new ATOM 1587 N LEU B 10 71.095 0.266 -8.810 1.00 0.00 N ATOM 1588 CA LEU B 10 72.424 0.642 -8.250 1.00 0.00 C ATOM 1589 C LEU B 10 73.551 -0.076 -9.001 1.00 0.00 C ATOM 1590 O LEU B 10 74.581 0.505 -9.278 1.00 0.00 O ATOM 1591 CB LEU B 10 72.473 0.243 -6.771 1.00 0.00 C ATOM 1592 CG LEU B 10 71.495 1.104 -5.956 1.00 0.00 C ATOM 1593 CD1 LEU B 10 71.379 0.520 -4.543 1.00 0.00 C ATOM 1594 CD2 LEU B 10 71.994 2.562 -5.869 1.00 0.00 C ATOM 0 H LEU B 10 70.456 -0.179 -8.151 1.00 0.00 H new ATOM 0 HA LEU B 10 72.561 1.718 -8.359 1.00 0.00 H new ATOM 0 HB2 LEU B 10 72.218 -0.811 -6.663 1.00 0.00 H new ATOM 0 HB3 LEU B 10 73.485 0.367 -6.387 1.00 0.00 H new ATOM 0 HG LEU B 10 70.523 1.100 -6.448 1.00 0.00 H new ATOM 0 HD11 LEU B 10 70.687 1.124 -3.956 1.00 0.00 H new ATOM 0 HD12 LEU B 10 71.008 -0.503 -4.602 1.00 0.00 H new ATOM 0 HD13 LEU B 10 72.359 0.524 -4.066 1.00 0.00 H new ATOM 0 HD21 LEU B 10 71.287 3.154 -5.288 1.00 0.00 H new ATOM 0 HD22 LEU B 10 72.970 2.584 -5.385 1.00 0.00 H new ATOM 0 HD23 LEU B 10 72.077 2.979 -6.873 1.00 0.00 H new ATOM 1606 N ILE B 11 73.385 -1.329 -9.325 1.00 0.00 N ATOM 1607 CA ILE B 11 74.478 -2.047 -10.043 1.00 0.00 C ATOM 1608 C ILE B 11 74.761 -1.341 -11.374 1.00 0.00 C ATOM 1609 O ILE B 11 75.892 -1.037 -11.700 1.00 0.00 O ATOM 1610 CB ILE B 11 74.032 -3.488 -10.309 1.00 0.00 C ATOM 1611 CG1 ILE B 11 73.931 -4.241 -8.977 1.00 0.00 C ATOM 1612 CG2 ILE B 11 75.043 -4.188 -11.226 1.00 0.00 C ATOM 1613 CD1 ILE B 11 73.194 -5.566 -9.188 1.00 0.00 C ATOM 0 H ILE B 11 72.551 -1.882 -9.127 1.00 0.00 H new ATOM 0 HA ILE B 11 75.384 -2.048 -9.438 1.00 0.00 H new ATOM 0 HB ILE B 11 73.058 -3.481 -10.798 1.00 0.00 H new ATOM 0 HG12 ILE B 11 74.928 -4.428 -8.577 1.00 0.00 H new ATOM 0 HG13 ILE B 11 73.402 -3.632 -8.243 1.00 0.00 H new ATOM 0 HG21 ILE B 11 74.719 -5.212 -11.410 1.00 0.00 H new ATOM 0 HG22 ILE B 11 75.108 -3.652 -12.173 1.00 0.00 H new ATOM 0 HG23 ILE B 11 76.022 -4.198 -10.747 1.00 0.00 H new ATOM 0 HD11 ILE B 11 73.124 -6.098 -8.239 1.00 0.00 H new ATOM 0 HD12 ILE B 11 72.192 -5.368 -9.568 1.00 0.00 H new ATOM 0 HD13 ILE B 11 73.741 -6.176 -9.907 1.00 0.00 H new ATOM 1625 N ASP B 12 73.741 -1.083 -12.143 1.00 0.00 N ATOM 1626 CA ASP B 12 73.948 -0.401 -13.454 1.00 0.00 C ATOM 1627 C ASP B 12 74.578 0.973 -13.218 1.00 0.00 C ATOM 1628 O ASP B 12 75.452 1.404 -13.945 1.00 0.00 O ATOM 1629 CB ASP B 12 72.598 -0.220 -14.149 1.00 0.00 C ATOM 1630 CG ASP B 12 72.069 -1.580 -14.604 1.00 0.00 C ATOM 1631 OD1 ASP B 12 72.880 -2.450 -14.877 1.00 0.00 O ATOM 1632 OD2 ASP B 12 70.861 -1.728 -14.673 1.00 0.00 O ATOM 0 H ASP B 12 72.772 -1.314 -11.922 1.00 0.00 H new ATOM 0 HA ASP B 12 74.606 -1.005 -14.078 1.00 0.00 H new ATOM 0 HB2 ASP B 12 71.887 0.249 -13.468 1.00 0.00 H new ATOM 0 HB3 ASP B 12 72.705 0.445 -15.006 1.00 0.00 H new ATOM 1637 N VAL B 13 74.139 1.661 -12.201 1.00 0.00 N ATOM 1638 CA VAL B 13 74.707 3.007 -11.906 1.00 0.00 C ATOM 1639 C VAL B 13 76.177 2.864 -11.506 1.00 0.00 C ATOM 1640 O VAL B 13 77.039 3.557 -12.008 1.00 0.00 O ATOM 1641 CB VAL B 13 73.916 3.652 -10.762 1.00 0.00 C ATOM 1642 CG1 VAL B 13 74.633 4.920 -10.278 1.00 0.00 C ATOM 1643 CG2 VAL B 13 72.516 4.016 -11.265 1.00 0.00 C ATOM 0 H VAL B 13 73.410 1.349 -11.560 1.00 0.00 H new ATOM 0 HA VAL B 13 74.637 3.637 -12.792 1.00 0.00 H new ATOM 0 HB VAL B 13 73.841 2.949 -9.932 1.00 0.00 H new ATOM 0 HG11 VAL B 13 74.064 5.372 -9.465 1.00 0.00 H new ATOM 0 HG12 VAL B 13 75.630 4.661 -9.923 1.00 0.00 H new ATOM 0 HG13 VAL B 13 74.714 5.629 -11.102 1.00 0.00 H new ATOM 0 HG21 VAL B 13 71.947 4.475 -10.457 1.00 0.00 H new ATOM 0 HG22 VAL B 13 72.599 4.718 -12.095 1.00 0.00 H new ATOM 0 HG23 VAL B 13 72.005 3.114 -11.602 1.00 0.00 H new ATOM 1653 N PHE B 14 76.467 1.975 -10.598 1.00 0.00 N ATOM 1654 CA PHE B 14 77.879 1.799 -10.164 1.00 0.00 C ATOM 1655 C PHE B 14 78.738 1.398 -11.368 1.00 0.00 C ATOM 1656 O PHE B 14 79.765 1.990 -11.634 1.00 0.00 O ATOM 1657 CB PHE B 14 77.928 0.696 -9.101 1.00 0.00 C ATOM 1658 CG PHE B 14 79.333 0.545 -8.563 1.00 0.00 C ATOM 1659 CD1 PHE B 14 80.229 -0.336 -9.180 1.00 0.00 C ATOM 1660 CD2 PHE B 14 79.735 1.277 -7.438 1.00 0.00 C ATOM 1661 CE1 PHE B 14 81.527 -0.483 -8.674 1.00 0.00 C ATOM 1662 CE2 PHE B 14 81.033 1.128 -6.932 1.00 0.00 C ATOM 1663 CZ PHE B 14 81.929 0.248 -7.550 1.00 0.00 C ATOM 0 H PHE B 14 75.790 1.365 -10.140 1.00 0.00 H new ATOM 0 HA PHE B 14 78.264 2.731 -9.750 1.00 0.00 H new ATOM 0 HB2 PHE B 14 77.244 0.936 -8.287 1.00 0.00 H new ATOM 0 HB3 PHE B 14 77.593 -0.248 -9.531 1.00 0.00 H new ATOM 0 HD1 PHE B 14 79.920 -0.902 -10.046 1.00 0.00 H new ATOM 0 HD2 PHE B 14 79.044 1.956 -6.961 1.00 0.00 H new ATOM 0 HE1 PHE B 14 82.218 -1.161 -9.152 1.00 0.00 H new ATOM 0 HE2 PHE B 14 81.342 1.692 -6.065 1.00 0.00 H new ATOM 0 HZ PHE B 14 82.930 0.133 -7.160 1.00 0.00 H new ATOM 1673 N HIS B 15 78.351 0.367 -12.071 1.00 0.00 N ATOM 1674 CA HIS B 15 79.169 -0.108 -13.222 1.00 0.00 C ATOM 1675 C HIS B 15 79.334 0.970 -14.297 1.00 0.00 C ATOM 1676 O HIS B 15 80.401 1.110 -14.857 1.00 0.00 O ATOM 1677 CB HIS B 15 78.492 -1.341 -13.836 1.00 0.00 C ATOM 1678 CG HIS B 15 79.216 -1.755 -15.091 1.00 0.00 C ATOM 1679 ND1 HIS B 15 80.542 -2.168 -15.087 1.00 0.00 N ATOM 1680 CD2 HIS B 15 78.809 -1.813 -16.401 1.00 0.00 C ATOM 1681 CE1 HIS B 15 80.881 -2.451 -16.359 1.00 0.00 C ATOM 1682 NE2 HIS B 15 79.860 -2.251 -17.195 1.00 0.00 N ATOM 0 H HIS B 15 77.500 -0.168 -11.896 1.00 0.00 H new ATOM 0 HA HIS B 15 80.164 -0.355 -12.851 1.00 0.00 H new ATOM 0 HB2 HIS B 15 78.493 -2.162 -13.118 1.00 0.00 H new ATOM 0 HB3 HIS B 15 77.450 -1.118 -14.064 1.00 0.00 H new ATOM 0 HD2 HIS B 15 77.823 -1.557 -16.759 1.00 0.00 H new ATOM 0 HE1 HIS B 15 81.857 -2.797 -16.665 1.00 0.00 H new ATOM 0 HE2 HIS B 15 79.853 -2.391 -18.205 1.00 0.00 H new ATOM 1691 N GLN B 16 78.326 1.733 -14.615 1.00 0.00 N ATOM 1692 CA GLN B 16 78.519 2.769 -15.672 1.00 0.00 C ATOM 1693 C GLN B 16 79.410 3.898 -15.154 1.00 0.00 C ATOM 1694 O GLN B 16 80.250 4.417 -15.864 1.00 0.00 O ATOM 1695 CB GLN B 16 77.155 3.343 -16.076 1.00 0.00 C ATOM 1696 CG GLN B 16 77.322 4.312 -17.253 1.00 0.00 C ATOM 1697 CD GLN B 16 77.771 3.537 -18.492 1.00 0.00 C ATOM 1698 OE1 GLN B 16 77.010 2.776 -19.056 1.00 0.00 O ATOM 1699 NE2 GLN B 16 78.990 3.689 -18.933 1.00 0.00 N ATOM 0 H GLN B 16 77.395 1.689 -14.200 1.00 0.00 H new ATOM 0 HA GLN B 16 78.999 2.308 -16.535 1.00 0.00 H new ATOM 0 HB2 GLN B 16 76.478 2.534 -16.353 1.00 0.00 H new ATOM 0 HB3 GLN B 16 76.704 3.860 -15.229 1.00 0.00 H new ATOM 0 HG2 GLN B 16 76.381 4.824 -17.453 1.00 0.00 H new ATOM 0 HG3 GLN B 16 78.056 5.079 -17.005 1.00 0.00 H new ATOM 0 HE21 GLN B 16 79.628 4.328 -18.459 1.00 0.00 H new ATOM 0 HE22 GLN B 16 79.305 3.169 -19.752 1.00 0.00 H new ATOM 1708 N TYR B 17 79.222 4.291 -13.928 1.00 0.00 N ATOM 1709 CA TYR B 17 80.047 5.400 -13.369 1.00 0.00 C ATOM 1710 C TYR B 17 81.447 4.899 -12.998 1.00 0.00 C ATOM 1711 O TYR B 17 82.439 5.507 -13.346 1.00 0.00 O ATOM 1712 CB TYR B 17 79.345 5.992 -12.131 1.00 0.00 C ATOM 1713 CG TYR B 17 78.380 7.081 -12.556 1.00 0.00 C ATOM 1714 CD1 TYR B 17 78.829 8.404 -12.655 1.00 0.00 C ATOM 1715 CD2 TYR B 17 77.044 6.772 -12.846 1.00 0.00 C ATOM 1716 CE1 TYR B 17 77.945 9.416 -13.045 1.00 0.00 C ATOM 1717 CE2 TYR B 17 76.161 7.787 -13.236 1.00 0.00 C ATOM 1718 CZ TYR B 17 76.612 9.108 -13.335 1.00 0.00 C ATOM 1719 OH TYR B 17 75.740 10.107 -13.719 1.00 0.00 O ATOM 0 H TYR B 17 78.534 3.895 -13.287 1.00 0.00 H new ATOM 0 HA TYR B 17 80.155 6.176 -14.127 1.00 0.00 H new ATOM 0 HB2 TYR B 17 78.809 5.208 -11.596 1.00 0.00 H new ATOM 0 HB3 TYR B 17 80.085 6.399 -11.442 1.00 0.00 H new ATOM 0 HD1 TYR B 17 79.858 8.643 -12.430 1.00 0.00 H new ATOM 0 HD2 TYR B 17 76.696 5.753 -12.769 1.00 0.00 H new ATOM 0 HE1 TYR B 17 78.292 10.436 -13.122 1.00 0.00 H new ATOM 0 HE2 TYR B 17 75.132 7.550 -13.460 1.00 0.00 H new ATOM 0 HH TYR B 17 75.037 10.205 -13.043 1.00 0.00 H new ATOM 1729 N SER B 18 81.544 3.806 -12.293 1.00 0.00 N ATOM 1730 CA SER B 18 82.887 3.291 -11.903 1.00 0.00 C ATOM 1731 C SER B 18 83.532 2.567 -13.084 1.00 0.00 C ATOM 1732 O SER B 18 84.733 2.386 -13.130 1.00 0.00 O ATOM 1733 CB SER B 18 82.738 2.326 -10.727 1.00 0.00 C ATOM 1734 OG SER B 18 83.996 1.723 -10.453 1.00 0.00 O ATOM 0 H SER B 18 80.753 3.248 -11.971 1.00 0.00 H new ATOM 0 HA SER B 18 83.522 4.127 -11.611 1.00 0.00 H new ATOM 0 HB2 SER B 18 82.378 2.859 -9.847 1.00 0.00 H new ATOM 0 HB3 SER B 18 81.998 1.561 -10.961 1.00 0.00 H new ATOM 0 HG SER B 18 83.905 1.105 -9.698 1.00 0.00 H new ATOM 1740 N GLY B 19 82.751 2.159 -14.048 1.00 0.00 N ATOM 1741 CA GLY B 19 83.321 1.456 -15.235 1.00 0.00 C ATOM 1742 C GLY B 19 83.673 2.481 -16.316 1.00 0.00 C ATOM 1743 O GLY B 19 83.968 2.129 -17.441 1.00 0.00 O ATOM 0 H GLY B 19 81.739 2.283 -14.065 1.00 0.00 H new ATOM 0 HA2 GLY B 19 84.211 0.896 -14.947 1.00 0.00 H new ATOM 0 HA3 GLY B 19 82.602 0.735 -15.623 1.00 0.00 H new ATOM 1747 N ARG B 20 83.648 3.747 -15.989 1.00 0.00 N ATOM 1748 CA ARG B 20 83.991 4.785 -17.004 1.00 0.00 C ATOM 1749 C ARG B 20 85.516 4.925 -17.067 1.00 0.00 C ATOM 1750 O ARG B 20 86.101 5.044 -18.125 1.00 0.00 O ATOM 1751 CB ARG B 20 83.360 6.119 -16.596 1.00 0.00 C ATOM 1752 CG ARG B 20 83.482 7.121 -17.745 1.00 0.00 C ATOM 1753 CD ARG B 20 82.690 8.385 -17.406 1.00 0.00 C ATOM 1754 NE ARG B 20 83.376 9.128 -16.311 1.00 0.00 N ATOM 1755 CZ ARG B 20 82.728 10.042 -15.640 1.00 0.00 C ATOM 1756 NH1 ARG B 20 81.473 10.280 -15.904 1.00 0.00 N ATOM 1757 NH2 ARG B 20 83.335 10.720 -14.702 1.00 0.00 N ATOM 0 H ARG B 20 83.405 4.106 -15.065 1.00 0.00 H new ATOM 0 HA ARG B 20 83.609 4.497 -17.983 1.00 0.00 H new ATOM 0 HB2 ARG B 20 82.311 5.972 -16.339 1.00 0.00 H new ATOM 0 HB3 ARG B 20 83.855 6.509 -15.707 1.00 0.00 H new ATOM 0 HG2 ARG B 20 84.530 7.370 -17.915 1.00 0.00 H new ATOM 0 HG3 ARG B 20 83.106 6.680 -18.668 1.00 0.00 H new ATOM 0 HD2 ARG B 20 82.602 9.018 -18.289 1.00 0.00 H new ATOM 0 HD3 ARG B 20 81.678 8.121 -17.101 1.00 0.00 H new ATOM 0 HE ARG B 20 84.350 8.923 -16.086 1.00 0.00 H new ATOM 0 HH11 ARG B 20 80.997 9.752 -16.635 1.00 0.00 H new ATOM 0 HH12 ARG B 20 80.968 10.994 -15.379 1.00 0.00 H new ATOM 0 HH21 ARG B 20 84.316 10.536 -14.493 1.00 0.00 H new ATOM 0 HH22 ARG B 20 82.828 11.434 -14.179 1.00 0.00 H new ATOM 1771 N GLU B 21 86.157 4.891 -15.927 1.00 0.00 N ATOM 1772 CA GLU B 21 87.646 4.997 -15.878 1.00 0.00 C ATOM 1773 C GLU B 21 88.166 4.183 -14.692 1.00 0.00 C ATOM 1774 O GLU B 21 87.493 4.033 -13.691 1.00 0.00 O ATOM 1775 CB GLU B 21 88.075 6.457 -15.691 1.00 0.00 C ATOM 1776 CG GLU B 21 87.789 7.264 -16.957 1.00 0.00 C ATOM 1777 CD GLU B 21 88.229 8.714 -16.736 1.00 0.00 C ATOM 1778 OE1 GLU B 21 88.539 9.050 -15.605 1.00 0.00 O ATOM 1779 OE2 GLU B 21 88.262 9.458 -17.702 1.00 0.00 O ATOM 0 H GLU B 21 85.706 4.793 -15.017 1.00 0.00 H new ATOM 0 HA GLU B 21 88.055 4.619 -16.815 1.00 0.00 H new ATOM 0 HB2 GLU B 21 87.542 6.894 -14.846 1.00 0.00 H new ATOM 0 HB3 GLU B 21 89.138 6.503 -15.456 1.00 0.00 H new ATOM 0 HG2 GLU B 21 88.322 6.834 -17.805 1.00 0.00 H new ATOM 0 HG3 GLU B 21 86.726 7.226 -17.196 1.00 0.00 H new ATOM 1786 N GLY B 22 89.363 3.673 -14.782 1.00 0.00 N ATOM 1787 CA GLY B 22 89.926 2.890 -13.643 1.00 0.00 C ATOM 1788 C GLY B 22 89.420 1.446 -13.685 1.00 0.00 C ATOM 1789 O GLY B 22 88.829 1.007 -14.652 1.00 0.00 O ATOM 0 H GLY B 22 89.976 3.763 -15.593 1.00 0.00 H new ATOM 0 HA2 GLY B 22 91.015 2.902 -13.689 1.00 0.00 H new ATOM 0 HA3 GLY B 22 89.642 3.354 -12.699 1.00 0.00 H new ATOM 1793 N ASP B 23 89.659 0.703 -12.634 1.00 0.00 N ATOM 1794 CA ASP B 23 89.212 -0.721 -12.586 1.00 0.00 C ATOM 1795 C ASP B 23 87.865 -0.821 -11.865 1.00 0.00 C ATOM 1796 O ASP B 23 87.614 -0.140 -10.890 1.00 0.00 O ATOM 1797 CB ASP B 23 90.252 -1.551 -11.828 1.00 0.00 C ATOM 1798 CG ASP B 23 89.962 -3.040 -12.028 1.00 0.00 C ATOM 1799 OD1 ASP B 23 88.968 -3.506 -11.496 1.00 0.00 O ATOM 1800 OD2 ASP B 23 90.738 -3.688 -12.708 1.00 0.00 O ATOM 0 H ASP B 23 90.149 1.026 -11.800 1.00 0.00 H new ATOM 0 HA ASP B 23 89.104 -1.098 -13.603 1.00 0.00 H new ATOM 0 HB2 ASP B 23 91.254 -1.314 -12.186 1.00 0.00 H new ATOM 0 HB3 ASP B 23 90.226 -1.304 -10.767 1.00 0.00 H new ATOM 1805 N LYS B 24 86.997 -1.669 -12.346 1.00 0.00 N ATOM 1806 CA LYS B 24 85.658 -1.832 -11.708 1.00 0.00 C ATOM 1807 C LYS B 24 85.824 -2.332 -10.270 1.00 0.00 C ATOM 1808 O LYS B 24 86.646 -3.182 -9.991 1.00 0.00 O ATOM 1809 CB LYS B 24 84.858 -2.862 -12.507 1.00 0.00 C ATOM 1810 CG LYS B 24 83.403 -2.879 -12.031 1.00 0.00 C ATOM 1811 CD LYS B 24 82.704 -4.126 -12.580 1.00 0.00 C ATOM 1812 CE LYS B 24 82.845 -4.173 -14.104 1.00 0.00 C ATOM 1813 NZ LYS B 24 81.828 -5.105 -14.667 1.00 0.00 N ATOM 0 H LYS B 24 87.159 -2.261 -13.161 1.00 0.00 H new ATOM 0 HA LYS B 24 85.139 -0.874 -11.696 1.00 0.00 H new ATOM 0 HB2 LYS B 24 84.899 -2.622 -13.569 1.00 0.00 H new ATOM 0 HB3 LYS B 24 85.300 -3.851 -12.387 1.00 0.00 H new ATOM 0 HG2 LYS B 24 83.365 -2.877 -10.942 1.00 0.00 H new ATOM 0 HG3 LYS B 24 82.887 -1.980 -12.370 1.00 0.00 H new ATOM 0 HD2 LYS B 24 83.139 -5.022 -12.138 1.00 0.00 H new ATOM 0 HD3 LYS B 24 81.650 -4.114 -12.304 1.00 0.00 H new ATOM 0 HE2 LYS B 24 82.712 -3.176 -14.523 1.00 0.00 H new ATOM 0 HE3 LYS B 24 83.847 -4.503 -14.377 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 82.136 -5.429 -15.606 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 81.721 -5.924 -14.035 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 80.916 -4.613 -14.753 1.00 0.00 H new ATOM 1827 N HIS B 25 85.050 -1.799 -9.356 1.00 0.00 N ATOM 1828 CA HIS B 25 85.140 -2.213 -7.924 1.00 0.00 C ATOM 1829 C HIS B 25 86.336 -1.513 -7.272 1.00 0.00 C ATOM 1830 O HIS B 25 86.912 -1.994 -6.318 1.00 0.00 O ATOM 1831 CB HIS B 25 85.290 -3.741 -7.841 1.00 0.00 C ATOM 1832 CG HIS B 25 84.626 -4.269 -6.592 1.00 0.00 C ATOM 1833 ND1 HIS B 25 83.761 -5.354 -6.614 1.00 0.00 N ATOM 1834 CD2 HIS B 25 84.689 -3.866 -5.281 1.00 0.00 C ATOM 1835 CE1 HIS B 25 83.342 -5.566 -5.352 1.00 0.00 C ATOM 1836 NE2 HIS B 25 83.878 -4.686 -4.505 1.00 0.00 N ATOM 0 H HIS B 25 84.349 -1.083 -9.547 1.00 0.00 H new ATOM 0 HA HIS B 25 84.233 -1.925 -7.393 1.00 0.00 H new ATOM 0 HB2 HIS B 25 84.844 -4.205 -8.721 1.00 0.00 H new ATOM 0 HB3 HIS B 25 86.346 -4.009 -7.840 1.00 0.00 H new ATOM 0 HD1 HIS B 25 83.492 -5.893 -7.437 1.00 0.00 H new ATOM 0 HD2 HIS B 25 85.278 -3.040 -4.910 1.00 0.00 H new ATOM 0 HE1 HIS B 25 82.658 -6.350 -5.062 1.00 0.00 H new ATOM 1845 N LYS B 26 86.691 -0.366 -7.779 1.00 0.00 N ATOM 1846 CA LYS B 26 87.827 0.400 -7.196 1.00 0.00 C ATOM 1847 C LYS B 26 87.600 1.884 -7.488 1.00 0.00 C ATOM 1848 O LYS B 26 87.845 2.352 -8.582 1.00 0.00 O ATOM 1849 CB LYS B 26 89.139 -0.064 -7.837 1.00 0.00 C ATOM 1850 CG LYS B 26 90.317 0.704 -7.228 1.00 0.00 C ATOM 1851 CD LYS B 26 91.620 0.231 -7.876 1.00 0.00 C ATOM 1852 CE LYS B 26 92.788 1.055 -7.333 1.00 0.00 C ATOM 1853 NZ LYS B 26 92.575 2.492 -7.664 1.00 0.00 N ATOM 0 H LYS B 26 86.239 0.077 -8.579 1.00 0.00 H new ATOM 0 HA LYS B 26 87.886 0.235 -6.120 1.00 0.00 H new ATOM 0 HB2 LYS B 26 89.272 -1.135 -7.681 1.00 0.00 H new ATOM 0 HB3 LYS B 26 89.105 0.099 -8.914 1.00 0.00 H new ATOM 0 HG2 LYS B 26 90.188 1.775 -7.385 1.00 0.00 H new ATOM 0 HG3 LYS B 26 90.354 0.542 -6.151 1.00 0.00 H new ATOM 0 HD2 LYS B 26 91.779 -0.827 -7.667 1.00 0.00 H new ATOM 0 HD3 LYS B 26 91.559 0.337 -8.959 1.00 0.00 H new ATOM 0 HE2 LYS B 26 92.867 0.927 -6.253 1.00 0.00 H new ATOM 0 HE3 LYS B 26 93.726 0.706 -7.765 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 93.473 2.913 -7.976 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 91.872 2.572 -8.426 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 92.231 2.995 -6.821 1.00 0.00 H new ATOM 1867 N LEU B 27 87.118 2.627 -6.522 1.00 0.00 N ATOM 1868 CA LEU B 27 86.853 4.083 -6.752 1.00 0.00 C ATOM 1869 C LEU B 27 87.998 4.920 -6.181 1.00 0.00 C ATOM 1870 O LEU B 27 88.331 4.839 -5.015 1.00 0.00 O ATOM 1871 CB LEU B 27 85.534 4.470 -6.061 1.00 0.00 C ATOM 1872 CG LEU B 27 84.351 4.154 -6.981 1.00 0.00 C ATOM 1873 CD1 LEU B 27 84.341 2.662 -7.315 1.00 0.00 C ATOM 1874 CD2 LEU B 27 83.049 4.529 -6.272 1.00 0.00 C ATOM 0 H LEU B 27 86.897 2.290 -5.585 1.00 0.00 H new ATOM 0 HA LEU B 27 86.778 4.273 -7.823 1.00 0.00 H new ATOM 0 HB2 LEU B 27 85.432 3.925 -5.122 1.00 0.00 H new ATOM 0 HB3 LEU B 27 85.541 5.532 -5.814 1.00 0.00 H new ATOM 0 HG LEU B 27 84.444 4.726 -7.904 1.00 0.00 H new ATOM 0 HD11 LEU B 27 83.498 2.441 -7.970 1.00 0.00 H new ATOM 0 HD12 LEU B 27 85.271 2.396 -7.818 1.00 0.00 H new ATOM 0 HD13 LEU B 27 84.247 2.084 -6.396 1.00 0.00 H new ATOM 0 HD21 LEU B 27 82.203 4.306 -6.922 1.00 0.00 H new ATOM 0 HD22 LEU B 27 82.959 3.955 -5.350 1.00 0.00 H new ATOM 0 HD23 LEU B 27 83.056 5.593 -6.038 1.00 0.00 H new ATOM 1886 N LYS B 28 88.589 5.737 -7.009 1.00 0.00 N ATOM 1887 CA LYS B 28 89.706 6.612 -6.554 1.00 0.00 C ATOM 1888 C LYS B 28 89.125 7.961 -6.129 1.00 0.00 C ATOM 1889 O LYS B 28 87.988 8.274 -6.422 1.00 0.00 O ATOM 1890 CB LYS B 28 90.691 6.823 -7.706 1.00 0.00 C ATOM 1891 CG LYS B 28 91.348 5.489 -8.065 1.00 0.00 C ATOM 1892 CD LYS B 28 92.355 5.695 -9.205 1.00 0.00 C ATOM 1893 CE LYS B 28 91.639 6.192 -10.471 1.00 0.00 C ATOM 1894 NZ LYS B 28 91.550 7.680 -10.440 1.00 0.00 N ATOM 0 H LYS B 28 88.342 5.836 -7.994 1.00 0.00 H new ATOM 0 HA LYS B 28 90.227 6.148 -5.717 1.00 0.00 H new ATOM 0 HB2 LYS B 28 90.171 7.230 -8.573 1.00 0.00 H new ATOM 0 HB3 LYS B 28 91.451 7.550 -7.420 1.00 0.00 H new ATOM 0 HG2 LYS B 28 91.853 5.075 -7.192 1.00 0.00 H new ATOM 0 HG3 LYS B 28 90.588 4.768 -8.365 1.00 0.00 H new ATOM 0 HD2 LYS B 28 93.114 6.416 -8.902 1.00 0.00 H new ATOM 0 HD3 LYS B 28 92.871 4.759 -9.416 1.00 0.00 H new ATOM 0 HE2 LYS B 28 92.181 5.868 -11.359 1.00 0.00 H new ATOM 0 HE3 LYS B 28 90.641 5.758 -10.531 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 90.551 7.968 -10.412 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 92.038 8.039 -9.595 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 91.999 8.072 -11.292 1.00 0.00 H new ATOM 1908 N LYS B 29 89.885 8.760 -5.436 1.00 0.00 N ATOM 1909 CA LYS B 29 89.353 10.080 -4.997 1.00 0.00 C ATOM 1910 C LYS B 29 88.919 10.886 -6.225 1.00 0.00 C ATOM 1911 O LYS B 29 87.899 11.546 -6.213 1.00 0.00 O ATOM 1912 CB LYS B 29 90.436 10.836 -4.220 1.00 0.00 C ATOM 1913 CG LYS B 29 91.661 11.061 -5.111 1.00 0.00 C ATOM 1914 CD LYS B 29 92.768 11.737 -4.300 1.00 0.00 C ATOM 1915 CE LYS B 29 93.979 11.989 -5.200 1.00 0.00 C ATOM 1916 NZ LYS B 29 93.562 12.813 -6.369 1.00 0.00 N ATOM 0 H LYS B 29 90.845 8.559 -5.156 1.00 0.00 H new ATOM 0 HA LYS B 29 88.491 9.933 -4.346 1.00 0.00 H new ATOM 0 HB2 LYS B 29 90.046 11.794 -3.876 1.00 0.00 H new ATOM 0 HB3 LYS B 29 90.721 10.270 -3.333 1.00 0.00 H new ATOM 0 HG2 LYS B 29 92.015 10.109 -5.506 1.00 0.00 H new ATOM 0 HG3 LYS B 29 91.392 11.681 -5.966 1.00 0.00 H new ATOM 0 HD2 LYS B 29 92.407 12.679 -3.886 1.00 0.00 H new ATOM 0 HD3 LYS B 29 93.053 11.107 -3.457 1.00 0.00 H new ATOM 0 HE2 LYS B 29 94.762 12.501 -4.640 1.00 0.00 H new ATOM 0 HE3 LYS B 29 94.398 11.042 -5.539 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 94.400 13.253 -6.800 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 93.089 12.207 -7.070 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 92.905 13.555 -6.054 1.00 0.00 H new ATOM 1930 N SER B 30 89.671 10.834 -7.291 1.00 0.00 N ATOM 1931 CA SER B 30 89.274 11.593 -8.511 1.00 0.00 C ATOM 1932 C SER B 30 87.939 11.047 -9.023 1.00 0.00 C ATOM 1933 O SER B 30 87.065 11.785 -9.432 1.00 0.00 O ATOM 1934 CB SER B 30 90.346 11.419 -9.590 1.00 0.00 C ATOM 1935 OG SER B 30 90.009 12.209 -10.722 1.00 0.00 O ATOM 0 H SER B 30 90.538 10.302 -7.370 1.00 0.00 H new ATOM 0 HA SER B 30 89.172 12.652 -8.272 1.00 0.00 H new ATOM 0 HB2 SER B 30 91.320 11.717 -9.202 1.00 0.00 H new ATOM 0 HB3 SER B 30 90.424 10.370 -9.875 1.00 0.00 H new ATOM 0 HG SER B 30 90.695 12.100 -11.413 1.00 0.00 H new ATOM 1941 N GLU B 31 87.779 9.753 -8.982 1.00 0.00 N ATOM 1942 CA GLU B 31 86.504 9.132 -9.442 1.00 0.00 C ATOM 1943 C GLU B 31 85.389 9.467 -8.447 1.00 0.00 C ATOM 1944 O GLU B 31 84.239 9.618 -8.810 1.00 0.00 O ATOM 1945 CB GLU B 31 86.684 7.613 -9.542 1.00 0.00 C ATOM 1946 CG GLU B 31 87.614 7.295 -10.714 1.00 0.00 C ATOM 1947 CD GLU B 31 87.806 5.780 -10.830 1.00 0.00 C ATOM 1948 OE1 GLU B 31 87.334 5.074 -9.955 1.00 0.00 O ATOM 1949 OE2 GLU B 31 88.421 5.353 -11.794 1.00 0.00 O ATOM 0 H GLU B 31 88.482 9.094 -8.647 1.00 0.00 H new ATOM 0 HA GLU B 31 86.235 9.523 -10.423 1.00 0.00 H new ATOM 0 HB2 GLU B 31 87.101 7.222 -8.614 1.00 0.00 H new ATOM 0 HB3 GLU B 31 85.718 7.129 -9.686 1.00 0.00 H new ATOM 0 HG2 GLU B 31 87.195 7.689 -11.640 1.00 0.00 H new ATOM 0 HG3 GLU B 31 88.578 7.782 -10.568 1.00 0.00 H new ATOM 1956 N LEU B 32 85.729 9.589 -7.192 1.00 0.00 N ATOM 1957 CA LEU B 32 84.698 9.920 -6.167 1.00 0.00 C ATOM 1958 C LEU B 32 84.224 11.362 -6.375 1.00 0.00 C ATOM 1959 O LEU B 32 83.055 11.668 -6.253 1.00 0.00 O ATOM 1960 CB LEU B 32 85.315 9.767 -4.766 1.00 0.00 C ATOM 1961 CG LEU B 32 84.281 10.100 -3.677 1.00 0.00 C ATOM 1962 CD1 LEU B 32 83.112 9.104 -3.734 1.00 0.00 C ATOM 1963 CD2 LEU B 32 84.961 10.017 -2.304 1.00 0.00 C ATOM 0 H LEU B 32 86.677 9.474 -6.832 1.00 0.00 H new ATOM 0 HA LEU B 32 83.847 9.246 -6.262 1.00 0.00 H new ATOM 0 HB2 LEU B 32 85.676 8.747 -4.632 1.00 0.00 H new ATOM 0 HB3 LEU B 32 86.178 10.426 -4.669 1.00 0.00 H new ATOM 0 HG LEU B 32 83.893 11.105 -3.841 1.00 0.00 H new ATOM 0 HD11 LEU B 32 82.386 9.350 -2.959 1.00 0.00 H new ATOM 0 HD12 LEU B 32 82.632 9.162 -4.711 1.00 0.00 H new ATOM 0 HD13 LEU B 32 83.487 8.093 -3.573 1.00 0.00 H new ATOM 0 HD21 LEU B 32 84.236 10.251 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU B 32 85.347 9.009 -2.149 1.00 0.00 H new ATOM 0 HD23 LEU B 32 85.783 10.731 -2.262 1.00 0.00 H new ATOM 1975 N LYS B 33 85.129 12.250 -6.682 1.00 0.00 N ATOM 1976 CA LYS B 33 84.744 13.677 -6.891 1.00 0.00 C ATOM 1977 C LYS B 33 83.856 13.821 -8.131 1.00 0.00 C ATOM 1978 O LYS B 33 82.913 14.589 -8.139 1.00 0.00 O ATOM 1979 CB LYS B 33 86.000 14.532 -7.063 1.00 0.00 C ATOM 1980 CG LYS B 33 85.606 16.009 -7.031 1.00 0.00 C ATOM 1981 CD LYS B 33 86.856 16.877 -7.179 1.00 0.00 C ATOM 1982 CE LYS B 33 86.455 18.351 -7.118 1.00 0.00 C ATOM 1983 NZ LYS B 33 87.677 19.193 -6.986 1.00 0.00 N ATOM 0 H LYS B 33 86.122 12.049 -6.798 1.00 0.00 H new ATOM 0 HA LYS B 33 84.186 14.015 -6.018 1.00 0.00 H new ATOM 0 HB2 LYS B 33 86.714 14.316 -6.268 1.00 0.00 H new ATOM 0 HB3 LYS B 33 86.491 14.294 -8.007 1.00 0.00 H new ATOM 0 HG2 LYS B 33 84.903 16.226 -7.835 1.00 0.00 H new ATOM 0 HG3 LYS B 33 85.099 16.240 -6.094 1.00 0.00 H new ATOM 0 HD2 LYS B 33 87.568 16.648 -6.386 1.00 0.00 H new ATOM 0 HD3 LYS B 33 87.353 16.662 -8.125 1.00 0.00 H new ATOM 0 HE2 LYS B 33 85.906 18.627 -8.018 1.00 0.00 H new ATOM 0 HE3 LYS B 33 85.789 18.523 -6.273 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 87.405 20.196 -6.944 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 88.184 18.935 -6.115 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 88.297 19.036 -7.806 1.00 0.00 H new ATOM 1997 N GLU B 34 84.151 13.108 -9.185 1.00 0.00 N ATOM 1998 CA GLU B 34 83.321 13.240 -10.417 1.00 0.00 C ATOM 1999 C GLU B 34 81.873 12.863 -10.108 1.00 0.00 C ATOM 2000 O GLU B 34 80.947 13.517 -10.541 1.00 0.00 O ATOM 2001 CB GLU B 34 83.862 12.310 -11.505 1.00 0.00 C ATOM 2002 CG GLU B 34 85.209 12.834 -12.007 1.00 0.00 C ATOM 2003 CD GLU B 34 85.776 11.869 -13.050 1.00 0.00 C ATOM 2004 OE1 GLU B 34 86.477 10.951 -12.658 1.00 0.00 O ATOM 2005 OE2 GLU B 34 85.499 12.065 -14.222 1.00 0.00 O ATOM 0 H GLU B 34 84.924 12.445 -9.246 1.00 0.00 H new ATOM 0 HA GLU B 34 83.362 14.272 -10.764 1.00 0.00 H new ATOM 0 HB2 GLU B 34 83.978 11.301 -11.110 1.00 0.00 H new ATOM 0 HB3 GLU B 34 83.153 12.250 -12.331 1.00 0.00 H new ATOM 0 HG2 GLU B 34 85.086 13.826 -12.443 1.00 0.00 H new ATOM 0 HG3 GLU B 34 85.905 12.936 -11.174 1.00 0.00 H new ATOM 2012 N LEU B 35 81.668 11.803 -9.384 1.00 0.00 N ATOM 2013 CA LEU B 35 80.276 11.376 -9.076 1.00 0.00 C ATOM 2014 C LEU B 35 79.562 12.498 -8.315 1.00 0.00 C ATOM 2015 O LEU B 35 78.450 12.865 -8.636 1.00 0.00 O ATOM 2016 CB LEU B 35 80.325 10.109 -8.212 1.00 0.00 C ATOM 2017 CG LEU B 35 78.904 9.630 -7.877 1.00 0.00 C ATOM 2018 CD1 LEU B 35 78.166 9.228 -9.168 1.00 0.00 C ATOM 2019 CD2 LEU B 35 78.995 8.420 -6.938 1.00 0.00 C ATOM 0 H LEU B 35 82.402 11.213 -8.992 1.00 0.00 H new ATOM 0 HA LEU B 35 79.734 11.167 -9.998 1.00 0.00 H new ATOM 0 HB2 LEU B 35 80.865 9.323 -8.740 1.00 0.00 H new ATOM 0 HB3 LEU B 35 80.874 10.310 -7.292 1.00 0.00 H new ATOM 0 HG LEU B 35 78.353 10.436 -7.392 1.00 0.00 H new ATOM 0 HD11 LEU B 35 77.160 8.890 -8.921 1.00 0.00 H new ATOM 0 HD12 LEU B 35 78.107 10.087 -9.836 1.00 0.00 H new ATOM 0 HD13 LEU B 35 78.709 8.422 -9.662 1.00 0.00 H new ATOM 0 HD21 LEU B 35 77.991 8.072 -6.694 1.00 0.00 H new ATOM 0 HD22 LEU B 35 79.547 7.619 -7.429 1.00 0.00 H new ATOM 0 HD23 LEU B 35 79.512 8.708 -6.022 1.00 0.00 H new ATOM 2031 N ILE B 36 80.190 13.045 -7.310 1.00 0.00 N ATOM 2032 CA ILE B 36 79.538 14.142 -6.535 1.00 0.00 C ATOM 2033 C ILE B 36 79.272 15.341 -7.450 1.00 0.00 C ATOM 2034 O ILE B 36 78.227 15.957 -7.386 1.00 0.00 O ATOM 2035 CB ILE B 36 80.454 14.573 -5.384 1.00 0.00 C ATOM 2036 CG1 ILE B 36 80.638 13.397 -4.417 1.00 0.00 C ATOM 2037 CG2 ILE B 36 79.831 15.773 -4.642 1.00 0.00 C ATOM 2038 CD1 ILE B 36 81.738 13.734 -3.409 1.00 0.00 C ATOM 0 H ILE B 36 81.123 12.782 -6.992 1.00 0.00 H new ATOM 0 HA ILE B 36 78.592 13.780 -6.133 1.00 0.00 H new ATOM 0 HB ILE B 36 81.425 14.870 -5.781 1.00 0.00 H new ATOM 0 HG12 ILE B 36 79.703 13.191 -3.896 1.00 0.00 H new ATOM 0 HG13 ILE B 36 80.900 12.495 -4.970 1.00 0.00 H new ATOM 0 HG21 ILE B 36 80.486 16.075 -3.825 1.00 0.00 H new ATOM 0 HG22 ILE B 36 79.708 16.605 -5.335 1.00 0.00 H new ATOM 0 HG23 ILE B 36 78.858 15.488 -4.241 1.00 0.00 H new ATOM 0 HD11 ILE B 36 81.870 12.899 -2.721 1.00 0.00 H new ATOM 0 HD12 ILE B 36 82.673 13.919 -3.939 1.00 0.00 H new ATOM 0 HD13 ILE B 36 81.457 14.625 -2.848 1.00 0.00 H new ATOM 2050 N ASN B 37 80.201 15.690 -8.297 1.00 0.00 N ATOM 2051 CA ASN B 37 79.967 16.856 -9.196 1.00 0.00 C ATOM 2052 C ASN B 37 78.773 16.547 -10.102 1.00 0.00 C ATOM 2053 O ASN B 37 77.944 17.392 -10.374 1.00 0.00 O ATOM 2054 CB ASN B 37 81.202 17.081 -10.072 1.00 0.00 C ATOM 2055 CG ASN B 37 82.362 17.593 -9.220 1.00 0.00 C ATOM 2056 OD1 ASN B 37 82.157 18.237 -8.210 1.00 0.00 O ATOM 2057 ND2 ASN B 37 83.584 17.326 -9.590 1.00 0.00 N ATOM 0 H ASN B 37 81.102 15.225 -8.406 1.00 0.00 H new ATOM 0 HA ASN B 37 79.772 17.747 -8.599 1.00 0.00 H new ATOM 0 HB2 ASN B 37 81.484 16.150 -10.563 1.00 0.00 H new ATOM 0 HB3 ASN B 37 80.973 17.800 -10.859 1.00 0.00 H new ATOM 0 HD21 ASN B 37 84.370 17.658 -9.031 1.00 0.00 H new ATOM 0 HD22 ASN B 37 83.753 16.785 -10.438 1.00 0.00 H new ATOM 2064 N ASN B 38 78.695 15.332 -10.572 1.00 0.00 N ATOM 2065 CA ASN B 38 77.571 14.934 -11.467 1.00 0.00 C ATOM 2066 C ASN B 38 76.313 14.626 -10.649 1.00 0.00 C ATOM 2067 O ASN B 38 75.236 15.101 -10.948 1.00 0.00 O ATOM 2068 CB ASN B 38 77.980 13.689 -12.255 1.00 0.00 C ATOM 2069 CG ASN B 38 79.040 14.070 -13.289 1.00 0.00 C ATOM 2070 OD1 ASN B 38 80.144 13.562 -13.263 1.00 0.00 O ATOM 2071 ND2 ASN B 38 78.747 14.948 -14.210 1.00 0.00 N ATOM 0 H ASN B 38 79.368 14.592 -10.373 1.00 0.00 H new ATOM 0 HA ASN B 38 77.351 15.757 -12.147 1.00 0.00 H new ATOM 0 HB2 ASN B 38 78.372 12.929 -11.579 1.00 0.00 H new ATOM 0 HB3 ASN B 38 77.111 13.257 -12.751 1.00 0.00 H new ATOM 0 HD21 ASN B 38 79.444 15.207 -14.908 1.00 0.00 H new ATOM 0 HD22 ASN B 38 77.821 15.374 -14.232 1.00 0.00 H new ATOM 2078 N GLU B 39 76.446 13.809 -9.632 1.00 0.00 N ATOM 2079 CA GLU B 39 75.267 13.421 -8.791 1.00 0.00 C ATOM 2080 C GLU B 39 75.398 14.005 -7.381 1.00 0.00 C ATOM 2081 O GLU B 39 76.430 14.512 -6.997 1.00 0.00 O ATOM 2082 CB GLU B 39 75.202 11.894 -8.705 1.00 0.00 C ATOM 2083 CG GLU B 39 74.821 11.330 -10.076 1.00 0.00 C ATOM 2084 CD GLU B 39 74.770 9.802 -10.009 1.00 0.00 C ATOM 2085 OE1 GLU B 39 75.123 9.262 -8.973 1.00 0.00 O ATOM 2086 OE2 GLU B 39 74.385 9.198 -10.996 1.00 0.00 O ATOM 0 H GLU B 39 77.330 13.389 -9.345 1.00 0.00 H new ATOM 0 HA GLU B 39 74.358 13.813 -9.247 1.00 0.00 H new ATOM 0 HB2 GLU B 39 76.165 11.494 -8.389 1.00 0.00 H new ATOM 0 HB3 GLU B 39 74.470 11.590 -7.957 1.00 0.00 H new ATOM 0 HG2 GLU B 39 73.852 11.723 -10.385 1.00 0.00 H new ATOM 0 HG3 GLU B 39 75.547 11.647 -10.825 1.00 0.00 H new ATOM 2093 N LEU B 40 74.349 13.913 -6.612 1.00 0.00 N ATOM 2094 CA LEU B 40 74.358 14.423 -5.221 1.00 0.00 C ATOM 2095 C LEU B 40 74.768 15.896 -5.188 1.00 0.00 C ATOM 2096 O LEU B 40 75.251 16.393 -4.190 1.00 0.00 O ATOM 2097 CB LEU B 40 75.327 13.581 -4.410 1.00 0.00 C ATOM 2098 CG LEU B 40 74.942 12.099 -4.504 1.00 0.00 C ATOM 2099 CD1 LEU B 40 75.934 11.271 -3.682 1.00 0.00 C ATOM 2100 CD2 LEU B 40 73.516 11.882 -3.965 1.00 0.00 C ATOM 0 H LEU B 40 73.465 13.494 -6.902 1.00 0.00 H new ATOM 0 HA LEU B 40 73.357 14.351 -4.795 1.00 0.00 H new ATOM 0 HB2 LEU B 40 76.343 13.725 -4.778 1.00 0.00 H new ATOM 0 HB3 LEU B 40 75.317 13.902 -3.368 1.00 0.00 H new ATOM 0 HG LEU B 40 74.972 11.786 -5.548 1.00 0.00 H new ATOM 0 HD11 LEU B 40 75.667 10.216 -3.744 1.00 0.00 H new ATOM 0 HD12 LEU B 40 76.941 11.414 -4.075 1.00 0.00 H new ATOM 0 HD13 LEU B 40 75.902 11.593 -2.641 1.00 0.00 H new ATOM 0 HD21 LEU B 40 73.256 10.826 -4.038 1.00 0.00 H new ATOM 0 HD22 LEU B 40 73.469 12.196 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU B 40 72.811 12.470 -4.553 1.00 0.00 H new ATOM 2112 N SER B 41 74.566 16.606 -6.263 1.00 0.00 N ATOM 2113 CA SER B 41 74.926 18.051 -6.276 1.00 0.00 C ATOM 2114 C SER B 41 74.129 18.779 -5.188 1.00 0.00 C ATOM 2115 O SER B 41 74.629 19.657 -4.515 1.00 0.00 O ATOM 2116 CB SER B 41 74.584 18.649 -7.640 1.00 0.00 C ATOM 2117 OG SER B 41 75.418 18.064 -8.632 1.00 0.00 O ATOM 0 H SER B 41 74.168 16.249 -7.132 1.00 0.00 H new ATOM 0 HA SER B 41 75.994 18.164 -6.088 1.00 0.00 H new ATOM 0 HB2 SER B 41 73.536 18.468 -7.877 1.00 0.00 H new ATOM 0 HB3 SER B 41 74.724 19.730 -7.622 1.00 0.00 H new ATOM 0 HG SER B 41 75.200 18.444 -9.508 1.00 0.00 H new ATOM 2123 N HIS B 42 72.882 18.424 -5.029 1.00 0.00 N ATOM 2124 CA HIS B 42 72.023 19.091 -4.007 1.00 0.00 C ATOM 2125 C HIS B 42 72.464 18.704 -2.591 1.00 0.00 C ATOM 2126 O HIS B 42 72.140 19.373 -1.630 1.00 0.00 O ATOM 2127 CB HIS B 42 70.568 18.667 -4.217 1.00 0.00 C ATOM 2128 CG HIS B 42 69.698 19.364 -3.209 1.00 0.00 C ATOM 2129 ND1 HIS B 42 69.201 20.643 -3.418 1.00 0.00 N ATOM 2130 CD2 HIS B 42 69.235 18.976 -1.977 1.00 0.00 C ATOM 2131 CE1 HIS B 42 68.476 20.976 -2.333 1.00 0.00 C ATOM 2132 NE2 HIS B 42 68.466 19.996 -1.429 1.00 0.00 N ATOM 0 H HIS B 42 72.417 17.694 -5.568 1.00 0.00 H new ATOM 0 HA HIS B 42 72.120 20.171 -4.120 1.00 0.00 H new ATOM 0 HB2 HIS B 42 70.246 18.918 -5.228 1.00 0.00 H new ATOM 0 HB3 HIS B 42 70.473 17.586 -4.111 1.00 0.00 H new ATOM 0 HD2 HIS B 42 69.437 18.025 -1.506 1.00 0.00 H new ATOM 0 HE1 HIS B 42 67.966 21.920 -2.210 1.00 0.00 H new ATOM 0 HE2 HIS B 42 67.993 19.995 -0.525 1.00 0.00 H new ATOM 2141 N PHE B 43 73.182 17.622 -2.449 1.00 0.00 N ATOM 2142 CA PHE B 43 73.624 17.182 -1.086 1.00 0.00 C ATOM 2143 C PHE B 43 75.064 17.631 -0.833 1.00 0.00 C ATOM 2144 O PHE B 43 75.511 17.697 0.294 1.00 0.00 O ATOM 2145 CB PHE B 43 73.542 15.656 -1.009 1.00 0.00 C ATOM 2146 CG PHE B 43 72.092 15.236 -0.916 1.00 0.00 C ATOM 2147 CD1 PHE B 43 71.340 15.048 -2.082 1.00 0.00 C ATOM 2148 CD2 PHE B 43 71.499 15.047 0.338 1.00 0.00 C ATOM 2149 CE1 PHE B 43 69.994 14.668 -1.993 1.00 0.00 C ATOM 2150 CE2 PHE B 43 70.155 14.668 0.426 1.00 0.00 C ATOM 2151 CZ PHE B 43 69.402 14.477 -0.739 1.00 0.00 C ATOM 0 H PHE B 43 73.484 17.021 -3.216 1.00 0.00 H new ATOM 0 HA PHE B 43 72.978 17.629 -0.330 1.00 0.00 H new ATOM 0 HB2 PHE B 43 74.005 15.211 -1.889 1.00 0.00 H new ATOM 0 HB3 PHE B 43 74.093 15.294 -0.141 1.00 0.00 H new ATOM 0 HD1 PHE B 43 71.797 15.196 -3.049 1.00 0.00 H new ATOM 0 HD2 PHE B 43 72.079 15.194 1.237 1.00 0.00 H new ATOM 0 HE1 PHE B 43 69.413 14.523 -2.892 1.00 0.00 H new ATOM 0 HE2 PHE B 43 69.698 14.523 1.394 1.00 0.00 H new ATOM 0 HZ PHE B 43 68.365 14.183 -0.670 1.00 0.00 H new ATOM 2161 N LEU B 44 75.789 17.962 -1.868 1.00 0.00 N ATOM 2162 CA LEU B 44 77.197 18.434 -1.686 1.00 0.00 C ATOM 2163 C LEU B 44 77.512 19.469 -2.767 1.00 0.00 C ATOM 2164 O LEU B 44 77.628 19.139 -3.931 1.00 0.00 O ATOM 2165 CB LEU B 44 78.169 17.257 -1.823 1.00 0.00 C ATOM 2166 CG LEU B 44 78.062 16.317 -0.612 1.00 0.00 C ATOM 2167 CD1 LEU B 44 78.927 15.079 -0.869 1.00 0.00 C ATOM 2168 CD2 LEU B 44 78.538 17.035 0.672 1.00 0.00 C ATOM 0 H LEU B 44 75.468 17.926 -2.835 1.00 0.00 H new ATOM 0 HA LEU B 44 77.306 18.873 -0.694 1.00 0.00 H new ATOM 0 HB2 LEU B 44 77.952 16.705 -2.738 1.00 0.00 H new ATOM 0 HB3 LEU B 44 79.189 17.630 -1.910 1.00 0.00 H new ATOM 0 HG LEU B 44 77.022 16.021 -0.474 1.00 0.00 H new ATOM 0 HD11 LEU B 44 78.859 14.404 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU B 44 78.574 14.568 -1.765 1.00 0.00 H new ATOM 0 HD13 LEU B 44 79.964 15.383 -1.010 1.00 0.00 H new ATOM 0 HD21 LEU B 44 78.456 16.356 1.520 1.00 0.00 H new ATOM 0 HD22 LEU B 44 79.577 17.343 0.553 1.00 0.00 H new ATOM 0 HD23 LEU B 44 77.917 17.913 0.849 1.00 0.00 H new ATOM 2180 N GLU B 45 77.650 20.720 -2.392 1.00 0.00 N ATOM 2181 CA GLU B 45 77.955 21.794 -3.392 1.00 0.00 C ATOM 2182 C GLU B 45 79.248 22.518 -3.006 1.00 0.00 C ATOM 2183 O GLU B 45 79.910 23.104 -3.839 1.00 0.00 O ATOM 2184 CB GLU B 45 76.795 22.795 -3.428 1.00 0.00 C ATOM 2185 CG GLU B 45 77.092 23.898 -4.448 1.00 0.00 C ATOM 2186 CD GLU B 45 75.880 24.824 -4.565 1.00 0.00 C ATOM 2187 OE1 GLU B 45 74.846 24.484 -4.017 1.00 0.00 O ATOM 2188 OE2 GLU B 45 76.008 25.857 -5.202 1.00 0.00 O ATOM 0 H GLU B 45 77.564 21.045 -1.429 1.00 0.00 H new ATOM 0 HA GLU B 45 78.083 21.344 -4.377 1.00 0.00 H new ATOM 0 HB2 GLU B 45 75.869 22.283 -3.691 1.00 0.00 H new ATOM 0 HB3 GLU B 45 76.648 23.231 -2.440 1.00 0.00 H new ATOM 0 HG2 GLU B 45 77.969 24.467 -4.140 1.00 0.00 H new ATOM 0 HG3 GLU B 45 77.322 23.458 -5.418 1.00 0.00 H new ATOM 2195 N GLU B 46 79.616 22.496 -1.752 1.00 0.00 N ATOM 2196 CA GLU B 46 80.867 23.199 -1.342 1.00 0.00 C ATOM 2197 C GLU B 46 82.089 22.440 -1.875 1.00 0.00 C ATOM 2198 O GLU B 46 82.316 22.376 -3.067 1.00 0.00 O ATOM 2199 CB GLU B 46 80.945 23.314 0.189 1.00 0.00 C ATOM 2200 CG GLU B 46 80.511 22.003 0.853 1.00 0.00 C ATOM 2201 CD GLU B 46 80.608 22.152 2.371 1.00 0.00 C ATOM 2202 OE1 GLU B 46 81.177 23.136 2.815 1.00 0.00 O ATOM 2203 OE2 GLU B 46 80.114 21.278 3.065 1.00 0.00 O ATOM 0 H GLU B 46 79.110 22.027 -1.001 1.00 0.00 H new ATOM 0 HA GLU B 46 80.857 24.204 -1.764 1.00 0.00 H new ATOM 0 HB2 GLU B 46 81.964 23.560 0.489 1.00 0.00 H new ATOM 0 HB3 GLU B 46 80.307 24.129 0.531 1.00 0.00 H new ATOM 0 HG2 GLU B 46 79.489 21.756 0.564 1.00 0.00 H new ATOM 0 HG3 GLU B 46 81.145 21.183 0.515 1.00 0.00 H new ATOM 2210 N ILE B 47 82.884 21.876 -1.005 1.00 0.00 N ATOM 2211 CA ILE B 47 84.096 21.134 -1.469 1.00 0.00 C ATOM 2212 C ILE B 47 84.853 21.997 -2.484 1.00 0.00 C ATOM 2213 O ILE B 47 84.886 21.699 -3.661 1.00 0.00 O ATOM 2214 CB ILE B 47 83.677 19.816 -2.129 1.00 0.00 C ATOM 2215 CG1 ILE B 47 82.741 19.052 -1.188 1.00 0.00 C ATOM 2216 CG2 ILE B 47 84.914 18.965 -2.415 1.00 0.00 C ATOM 2217 CD1 ILE B 47 82.317 17.730 -1.836 1.00 0.00 C ATOM 0 H ILE B 47 82.748 21.896 0.006 1.00 0.00 H new ATOM 0 HA ILE B 47 84.739 20.917 -0.616 1.00 0.00 H new ATOM 0 HB ILE B 47 83.162 20.030 -3.066 1.00 0.00 H new ATOM 0 HG12 ILE B 47 83.243 18.858 -0.240 1.00 0.00 H new ATOM 0 HG13 ILE B 47 81.862 19.657 -0.965 1.00 0.00 H new ATOM 0 HG21 ILE B 47 84.611 18.029 -2.884 1.00 0.00 H new ATOM 0 HG22 ILE B 47 85.582 19.507 -3.085 1.00 0.00 H new ATOM 0 HG23 ILE B 47 85.433 18.751 -1.480 1.00 0.00 H new ATOM 0 HD11 ILE B 47 81.651 17.191 -1.162 1.00 0.00 H new ATOM 0 HD12 ILE B 47 81.798 17.934 -2.772 1.00 0.00 H new ATOM 0 HD13 ILE B 47 83.200 17.123 -2.036 1.00 0.00 H new ATOM 2229 N LYS B 48 85.455 23.070 -2.039 1.00 0.00 N ATOM 2230 CA LYS B 48 86.199 23.959 -2.983 1.00 0.00 C ATOM 2231 C LYS B 48 87.660 23.504 -3.086 1.00 0.00 C ATOM 2232 O LYS B 48 88.354 23.839 -4.026 1.00 0.00 O ATOM 2233 CB LYS B 48 86.152 25.401 -2.460 1.00 0.00 C ATOM 2234 CG LYS B 48 86.653 26.358 -3.547 1.00 0.00 C ATOM 2235 CD LYS B 48 86.720 27.791 -2.999 1.00 0.00 C ATOM 2236 CE LYS B 48 85.310 28.321 -2.691 1.00 0.00 C ATOM 2237 NZ LYS B 48 84.931 27.942 -1.300 1.00 0.00 N ATOM 0 H LYS B 48 85.464 23.369 -1.064 1.00 0.00 H new ATOM 0 HA LYS B 48 85.737 23.906 -3.969 1.00 0.00 H new ATOM 0 HB2 LYS B 48 85.133 25.662 -2.173 1.00 0.00 H new ATOM 0 HB3 LYS B 48 86.769 25.495 -1.566 1.00 0.00 H new ATOM 0 HG2 LYS B 48 87.639 26.046 -3.891 1.00 0.00 H new ATOM 0 HG3 LYS B 48 85.988 26.321 -4.410 1.00 0.00 H new ATOM 0 HD2 LYS B 48 87.327 27.812 -2.094 1.00 0.00 H new ATOM 0 HD3 LYS B 48 87.208 28.441 -3.725 1.00 0.00 H new ATOM 0 HE2 LYS B 48 85.284 29.405 -2.804 1.00 0.00 H new ATOM 0 HE3 LYS B 48 84.592 27.909 -3.400 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 84.115 27.297 -1.326 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 85.733 27.467 -0.839 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 84.680 28.797 -0.764 1.00 0.00 H new ATOM 2251 N GLU B 49 88.136 22.753 -2.121 1.00 0.00 N ATOM 2252 CA GLU B 49 89.563 22.284 -2.146 1.00 0.00 C ATOM 2253 C GLU B 49 89.617 20.752 -2.180 1.00 0.00 C ATOM 2254 O GLU B 49 88.878 20.080 -1.492 1.00 0.00 O ATOM 2255 CB GLU B 49 90.259 22.778 -0.875 1.00 0.00 C ATOM 2256 CG GLU B 49 90.424 24.299 -0.934 1.00 0.00 C ATOM 2257 CD GLU B 49 91.103 24.789 0.346 1.00 0.00 C ATOM 2258 OE1 GLU B 49 91.299 23.977 1.236 1.00 0.00 O ATOM 2259 OE2 GLU B 49 91.415 25.966 0.416 1.00 0.00 O ATOM 0 H GLU B 49 87.597 22.442 -1.313 1.00 0.00 H new ATOM 0 HA GLU B 49 90.058 22.676 -3.034 1.00 0.00 H new ATOM 0 HB2 GLU B 49 89.675 22.500 0.002 1.00 0.00 H new ATOM 0 HB3 GLU B 49 91.234 22.301 -0.774 1.00 0.00 H new ATOM 0 HG2 GLU B 49 91.019 24.577 -1.804 1.00 0.00 H new ATOM 0 HG3 GLU B 49 89.451 24.777 -1.048 1.00 0.00 H new ATOM 2266 N GLN B 50 90.506 20.195 -2.959 1.00 0.00 N ATOM 2267 CA GLN B 50 90.629 18.710 -3.015 1.00 0.00 C ATOM 2268 C GLN B 50 91.044 18.204 -1.633 1.00 0.00 C ATOM 2269 O GLN B 50 90.596 17.176 -1.168 1.00 0.00 O ATOM 2270 CB GLN B 50 91.681 18.314 -4.054 1.00 0.00 C ATOM 2271 CG GLN B 50 91.153 18.603 -5.462 1.00 0.00 C ATOM 2272 CD GLN B 50 91.100 20.113 -5.695 1.00 0.00 C ATOM 2273 OE1 GLN B 50 90.170 20.774 -5.278 1.00 0.00 O ATOM 2274 NE2 GLN B 50 92.065 20.691 -6.355 1.00 0.00 N ATOM 0 H GLN B 50 91.153 20.706 -3.560 1.00 0.00 H new ATOM 0 HA GLN B 50 89.675 18.268 -3.301 1.00 0.00 H new ATOM 0 HB2 GLN B 50 92.603 18.868 -3.881 1.00 0.00 H new ATOM 0 HB3 GLN B 50 91.922 17.255 -3.956 1.00 0.00 H new ATOM 0 HG2 GLN B 50 91.797 18.133 -6.205 1.00 0.00 H new ATOM 0 HG3 GLN B 50 90.159 18.172 -5.583 1.00 0.00 H new ATOM 0 HE21 GLN B 50 92.846 20.137 -6.706 1.00 0.00 H new ATOM 0 HE22 GLN B 50 92.038 21.697 -6.521 1.00 0.00 H new ATOM 2283 N GLU B 51 91.905 18.930 -0.978 1.00 0.00 N ATOM 2284 CA GLU B 51 92.369 18.513 0.377 1.00 0.00 C ATOM 2285 C GLU B 51 91.148 18.148 1.227 1.00 0.00 C ATOM 2286 O GLU B 51 91.193 17.250 2.044 1.00 0.00 O ATOM 2287 CB GLU B 51 93.128 19.676 1.026 1.00 0.00 C ATOM 2288 CG GLU B 51 93.625 19.271 2.416 1.00 0.00 C ATOM 2289 CD GLU B 51 94.378 20.445 3.046 1.00 0.00 C ATOM 2290 OE1 GLU B 51 94.616 21.415 2.344 1.00 0.00 O ATOM 2291 OE2 GLU B 51 94.702 20.356 4.218 1.00 0.00 O ATOM 0 H GLU B 51 92.311 19.800 -1.324 1.00 0.00 H new ATOM 0 HA GLU B 51 93.030 17.650 0.302 1.00 0.00 H new ATOM 0 HB2 GLU B 51 93.972 19.964 0.399 1.00 0.00 H new ATOM 0 HB3 GLU B 51 92.477 20.547 1.104 1.00 0.00 H new ATOM 0 HG2 GLU B 51 92.783 18.984 3.046 1.00 0.00 H new ATOM 0 HG3 GLU B 51 94.279 18.402 2.342 1.00 0.00 H new ATOM 2298 N VAL B 52 90.050 18.816 1.012 1.00 0.00 N ATOM 2299 CA VAL B 52 88.810 18.492 1.775 1.00 0.00 C ATOM 2300 C VAL B 52 88.288 17.130 1.304 1.00 0.00 C ATOM 2301 O VAL B 52 87.748 16.358 2.069 1.00 0.00 O ATOM 2302 CB VAL B 52 87.748 19.575 1.514 1.00 0.00 C ATOM 2303 CG1 VAL B 52 86.392 19.140 2.085 1.00 0.00 C ATOM 2304 CG2 VAL B 52 88.180 20.886 2.180 1.00 0.00 C ATOM 0 H VAL B 52 89.956 19.576 0.338 1.00 0.00 H new ATOM 0 HA VAL B 52 89.025 18.457 2.843 1.00 0.00 H new ATOM 0 HB VAL B 52 87.651 19.720 0.438 1.00 0.00 H new ATOM 0 HG11 VAL B 52 85.651 19.916 1.893 1.00 0.00 H new ATOM 0 HG12 VAL B 52 86.077 18.212 1.608 1.00 0.00 H new ATOM 0 HG13 VAL B 52 86.483 18.983 3.160 1.00 0.00 H new ATOM 0 HG21 VAL B 52 87.428 21.653 1.995 1.00 0.00 H new ATOM 0 HG22 VAL B 52 88.284 20.731 3.254 1.00 0.00 H new ATOM 0 HG23 VAL B 52 89.135 21.207 1.765 1.00 0.00 H new ATOM 2314 N VAL B 53 88.449 16.836 0.039 1.00 0.00 N ATOM 2315 CA VAL B 53 87.964 15.530 -0.492 1.00 0.00 C ATOM 2316 C VAL B 53 88.783 14.388 0.120 1.00 0.00 C ATOM 2317 O VAL B 53 88.243 13.398 0.572 1.00 0.00 O ATOM 2318 CB VAL B 53 88.096 15.507 -2.021 1.00 0.00 C ATOM 2319 CG1 VAL B 53 87.797 14.101 -2.548 1.00 0.00 C ATOM 2320 CG2 VAL B 53 87.103 16.498 -2.635 1.00 0.00 C ATOM 0 H VAL B 53 88.895 17.444 -0.647 1.00 0.00 H new ATOM 0 HA VAL B 53 86.915 15.401 -0.225 1.00 0.00 H new ATOM 0 HB VAL B 53 89.113 15.787 -2.296 1.00 0.00 H new ATOM 0 HG11 VAL B 53 87.892 14.091 -3.634 1.00 0.00 H new ATOM 0 HG12 VAL B 53 88.503 13.392 -2.115 1.00 0.00 H new ATOM 0 HG13 VAL B 53 86.782 13.817 -2.270 1.00 0.00 H new ATOM 0 HG21 VAL B 53 87.197 16.482 -3.721 1.00 0.00 H new ATOM 0 HG22 VAL B 53 86.088 16.217 -2.354 1.00 0.00 H new ATOM 0 HG23 VAL B 53 87.316 17.502 -2.268 1.00 0.00 H new ATOM 2330 N ASP B 54 90.082 14.513 0.131 1.00 0.00 N ATOM 2331 CA ASP B 54 90.929 13.427 0.707 1.00 0.00 C ATOM 2332 C ASP B 54 90.592 13.236 2.189 1.00 0.00 C ATOM 2333 O ASP B 54 90.505 12.129 2.680 1.00 0.00 O ATOM 2334 CB ASP B 54 92.406 13.796 0.558 1.00 0.00 C ATOM 2335 CG ASP B 54 93.277 12.645 1.069 1.00 0.00 C ATOM 2336 OD1 ASP B 54 93.270 12.409 2.265 1.00 0.00 O ATOM 2337 OD2 ASP B 54 93.936 12.022 0.254 1.00 0.00 O ATOM 0 H ASP B 54 90.593 15.317 -0.233 1.00 0.00 H new ATOM 0 HA ASP B 54 90.733 12.497 0.173 1.00 0.00 H new ATOM 0 HB2 ASP B 54 92.636 14.003 -0.487 1.00 0.00 H new ATOM 0 HB3 ASP B 54 92.622 14.706 1.118 1.00 0.00 H new ATOM 2342 N LYS B 55 90.395 14.310 2.904 1.00 0.00 N ATOM 2343 CA LYS B 55 90.056 14.188 4.352 1.00 0.00 C ATOM 2344 C LYS B 55 88.741 13.424 4.492 1.00 0.00 C ATOM 2345 O LYS B 55 88.617 12.514 5.287 1.00 0.00 O ATOM 2346 CB LYS B 55 89.909 15.583 4.965 1.00 0.00 C ATOM 2347 CG LYS B 55 89.768 15.469 6.487 1.00 0.00 C ATOM 2348 CD LYS B 55 89.622 16.872 7.085 1.00 0.00 C ATOM 2349 CE LYS B 55 89.489 16.778 8.608 1.00 0.00 C ATOM 2350 NZ LYS B 55 88.232 16.059 8.961 1.00 0.00 N ATOM 0 H LYS B 55 90.454 15.265 2.550 1.00 0.00 H new ATOM 0 HA LYS B 55 90.850 13.652 4.872 1.00 0.00 H new ATOM 0 HB2 LYS B 55 90.777 16.193 4.716 1.00 0.00 H new ATOM 0 HB3 LYS B 55 89.036 16.084 4.546 1.00 0.00 H new ATOM 0 HG2 LYS B 55 88.899 14.861 6.739 1.00 0.00 H new ATOM 0 HG3 LYS B 55 90.640 14.970 6.909 1.00 0.00 H new ATOM 0 HD2 LYS B 55 90.488 17.480 6.824 1.00 0.00 H new ATOM 0 HD3 LYS B 55 88.746 17.367 6.665 1.00 0.00 H new ATOM 0 HE2 LYS B 55 90.348 16.254 9.026 1.00 0.00 H new ATOM 0 HE3 LYS B 55 89.482 17.777 9.044 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 87.995 16.242 9.957 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 87.458 16.395 8.354 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 88.365 15.037 8.819 1.00 0.00 H new ATOM 2364 N VAL B 56 87.758 13.797 3.723 1.00 0.00 N ATOM 2365 CA VAL B 56 86.441 13.105 3.799 1.00 0.00 C ATOM 2366 C VAL B 56 86.605 11.650 3.355 1.00 0.00 C ATOM 2367 O VAL B 56 86.029 10.749 3.926 1.00 0.00 O ATOM 2368 CB VAL B 56 85.441 13.813 2.877 1.00 0.00 C ATOM 2369 CG1 VAL B 56 84.147 12.997 2.785 1.00 0.00 C ATOM 2370 CG2 VAL B 56 85.129 15.204 3.432 1.00 0.00 C ATOM 0 H VAL B 56 87.810 14.555 3.042 1.00 0.00 H new ATOM 0 HA VAL B 56 86.072 13.132 4.824 1.00 0.00 H new ATOM 0 HB VAL B 56 85.877 13.906 1.882 1.00 0.00 H new ATOM 0 HG11 VAL B 56 83.442 13.506 2.128 1.00 0.00 H new ATOM 0 HG12 VAL B 56 84.368 12.008 2.383 1.00 0.00 H new ATOM 0 HG13 VAL B 56 83.710 12.895 3.778 1.00 0.00 H new ATOM 0 HG21 VAL B 56 84.418 15.706 2.776 1.00 0.00 H new ATOM 0 HG22 VAL B 56 84.699 15.110 4.429 1.00 0.00 H new ATOM 0 HG23 VAL B 56 86.048 15.788 3.487 1.00 0.00 H new ATOM 2380 N MET B 57 87.386 11.413 2.339 1.00 0.00 N ATOM 2381 CA MET B 57 87.578 10.013 1.859 1.00 0.00 C ATOM 2382 C MET B 57 88.167 9.152 2.975 1.00 0.00 C ATOM 2383 O MET B 57 87.746 8.034 3.194 1.00 0.00 O ATOM 2384 CB MET B 57 88.525 10.011 0.654 1.00 0.00 C ATOM 2385 CG MET B 57 88.782 8.569 0.197 1.00 0.00 C ATOM 2386 SD MET B 57 89.736 8.586 -1.346 1.00 0.00 S ATOM 2387 CE MET B 57 88.483 7.858 -2.434 1.00 0.00 C ATOM 0 H MET B 57 87.900 12.125 1.820 1.00 0.00 H new ATOM 0 HA MET B 57 86.612 9.601 1.565 1.00 0.00 H new ATOM 0 HB2 MET B 57 88.091 10.589 -0.162 1.00 0.00 H new ATOM 0 HB3 MET B 57 89.467 10.491 0.919 1.00 0.00 H new ATOM 0 HG2 MET B 57 89.326 8.023 0.968 1.00 0.00 H new ATOM 0 HG3 MET B 57 87.836 8.050 0.047 1.00 0.00 H new ATOM 0 HE1 MET B 57 88.957 7.504 -3.349 1.00 0.00 H new ATOM 0 HE2 MET B 57 88.003 7.021 -1.927 1.00 0.00 H new ATOM 0 HE3 MET B 57 87.734 8.611 -2.681 1.00 0.00 H new ATOM 2397 N GLU B 58 89.143 9.654 3.674 1.00 0.00 N ATOM 2398 CA GLU B 58 89.761 8.848 4.766 1.00 0.00 C ATOM 2399 C GLU B 58 88.695 8.500 5.808 1.00 0.00 C ATOM 2400 O GLU B 58 88.623 7.388 6.291 1.00 0.00 O ATOM 2401 CB GLU B 58 90.880 9.658 5.425 1.00 0.00 C ATOM 2402 CG GLU B 58 91.588 8.795 6.471 1.00 0.00 C ATOM 2403 CD GLU B 58 92.714 9.600 7.122 1.00 0.00 C ATOM 2404 OE1 GLU B 58 92.971 10.701 6.664 1.00 0.00 O ATOM 2405 OE2 GLU B 58 93.299 9.103 8.070 1.00 0.00 O ATOM 0 H GLU B 58 89.540 10.584 3.539 1.00 0.00 H new ATOM 0 HA GLU B 58 90.175 7.929 4.352 1.00 0.00 H new ATOM 0 HB2 GLU B 58 91.593 9.993 4.672 1.00 0.00 H new ATOM 0 HB3 GLU B 58 90.469 10.552 5.894 1.00 0.00 H new ATOM 0 HG2 GLU B 58 90.876 8.467 7.229 1.00 0.00 H new ATOM 0 HG3 GLU B 58 91.992 7.897 6.003 1.00 0.00 H new ATOM 2412 N THR B 59 87.863 9.442 6.147 1.00 0.00 N ATOM 2413 CA THR B 59 86.787 9.177 7.148 1.00 0.00 C ATOM 2414 C THR B 59 85.803 8.145 6.594 1.00 0.00 C ATOM 2415 O THR B 59 85.330 7.276 7.300 1.00 0.00 O ATOM 2416 CB THR B 59 86.037 10.478 7.449 1.00 0.00 C ATOM 2417 OG1 THR B 59 86.944 11.433 7.984 1.00 0.00 O ATOM 2418 CG2 THR B 59 84.910 10.209 8.450 1.00 0.00 C ATOM 0 H THR B 59 87.880 10.391 5.773 1.00 0.00 H new ATOM 0 HA THR B 59 87.238 8.792 8.062 1.00 0.00 H new ATOM 0 HB THR B 59 85.604 10.868 6.528 1.00 0.00 H new ATOM 0 HG1 THR B 59 87.498 11.798 7.263 1.00 0.00 H new ATOM 0 HG21 THR B 59 84.380 11.138 8.660 1.00 0.00 H new ATOM 0 HG22 THR B 59 84.215 9.482 8.029 1.00 0.00 H new ATOM 0 HG23 THR B 59 85.331 9.815 9.375 1.00 0.00 H new ATOM 2426 N LEU B 60 85.488 8.247 5.335 1.00 0.00 N ATOM 2427 CA LEU B 60 84.525 7.282 4.729 1.00 0.00 C ATOM 2428 C LEU B 60 85.158 5.894 4.629 1.00 0.00 C ATOM 2429 O LEU B 60 84.505 4.892 4.847 1.00 0.00 O ATOM 2430 CB LEU B 60 84.122 7.753 3.330 1.00 0.00 C ATOM 2431 CG LEU B 60 83.344 9.075 3.409 1.00 0.00 C ATOM 2432 CD1 LEU B 60 83.114 9.595 1.988 1.00 0.00 C ATOM 2433 CD2 LEU B 60 81.986 8.864 4.108 1.00 0.00 C ATOM 0 H LEU B 60 85.854 8.955 4.698 1.00 0.00 H new ATOM 0 HA LEU B 60 83.642 7.230 5.365 1.00 0.00 H new ATOM 0 HB2 LEU B 60 85.012 7.884 2.714 1.00 0.00 H new ATOM 0 HB3 LEU B 60 83.509 6.992 2.847 1.00 0.00 H new ATOM 0 HG LEU B 60 83.920 9.797 3.987 1.00 0.00 H new ATOM 0 HD11 LEU B 60 82.562 10.534 2.029 1.00 0.00 H new ATOM 0 HD12 LEU B 60 84.075 9.760 1.501 1.00 0.00 H new ATOM 0 HD13 LEU B 60 82.541 8.862 1.421 1.00 0.00 H new ATOM 0 HD21 LEU B 60 81.450 9.812 4.154 1.00 0.00 H new ATOM 0 HD22 LEU B 60 81.396 8.140 3.546 1.00 0.00 H new ATOM 0 HD23 LEU B 60 82.151 8.491 5.119 1.00 0.00 H new ATOM 2445 N ASP B 61 86.410 5.817 4.275 1.00 0.00 N ATOM 2446 CA ASP B 61 87.061 4.483 4.131 1.00 0.00 C ATOM 2447 C ASP B 61 87.128 3.770 5.485 1.00 0.00 C ATOM 2448 O ASP B 61 87.794 4.202 6.403 1.00 0.00 O ATOM 2449 CB ASP B 61 88.476 4.667 3.579 1.00 0.00 C ATOM 2450 CG ASP B 61 88.405 5.070 2.104 1.00 0.00 C ATOM 2451 OD1 ASP B 61 87.371 4.843 1.496 1.00 0.00 O ATOM 2452 OD2 ASP B 61 89.384 5.602 1.606 1.00 0.00 O ATOM 0 H ASP B 61 87.011 6.618 4.079 1.00 0.00 H new ATOM 0 HA ASP B 61 86.472 3.875 3.445 1.00 0.00 H new ATOM 0 HB2 ASP B 61 89.003 5.431 4.150 1.00 0.00 H new ATOM 0 HB3 ASP B 61 89.042 3.742 3.687 1.00 0.00 H new ATOM 2457 N GLU B 62 86.425 2.675 5.599 1.00 0.00 N ATOM 2458 CA GLU B 62 86.417 1.910 6.879 1.00 0.00 C ATOM 2459 C GLU B 62 87.839 1.456 7.225 1.00 0.00 C ATOM 2460 O GLU B 62 88.261 1.530 8.362 1.00 0.00 O ATOM 2461 CB GLU B 62 85.501 0.685 6.734 1.00 0.00 C ATOM 2462 CG GLU B 62 85.466 -0.115 8.046 1.00 0.00 C ATOM 2463 CD GLU B 62 84.915 0.761 9.174 1.00 0.00 C ATOM 2464 OE1 GLU B 62 84.184 1.690 8.873 1.00 0.00 O ATOM 2465 OE2 GLU B 62 85.235 0.489 10.320 1.00 0.00 O ATOM 0 H GLU B 62 85.852 2.275 4.855 1.00 0.00 H new ATOM 0 HA GLU B 62 86.046 2.550 7.680 1.00 0.00 H new ATOM 0 HB2 GLU B 62 84.493 1.005 6.469 1.00 0.00 H new ATOM 0 HB3 GLU B 62 85.857 0.050 5.923 1.00 0.00 H new ATOM 0 HG2 GLU B 62 84.844 -1.002 7.925 1.00 0.00 H new ATOM 0 HG3 GLU B 62 86.468 -0.461 8.298 1.00 0.00 H new ATOM 2472 N ASP B 63 88.580 0.974 6.260 1.00 0.00 N ATOM 2473 CA ASP B 63 89.971 0.501 6.542 1.00 0.00 C ATOM 2474 C ASP B 63 90.987 1.611 6.252 1.00 0.00 C ATOM 2475 O ASP B 63 92.165 1.460 6.508 1.00 0.00 O ATOM 2476 CB ASP B 63 90.277 -0.722 5.673 1.00 0.00 C ATOM 2477 CG ASP B 63 90.071 -0.378 4.198 1.00 0.00 C ATOM 2478 OD1 ASP B 63 89.410 0.610 3.926 1.00 0.00 O ATOM 2479 OD2 ASP B 63 90.570 -1.116 3.364 1.00 0.00 O ATOM 0 H ASP B 63 88.283 0.887 5.288 1.00 0.00 H new ATOM 0 HA ASP B 63 90.046 0.232 7.596 1.00 0.00 H new ATOM 0 HB2 ASP B 63 91.303 -1.049 5.839 1.00 0.00 H new ATOM 0 HB3 ASP B 63 89.629 -1.551 5.956 1.00 0.00 H new ATOM 2484 N GLY B 64 90.551 2.726 5.729 1.00 0.00 N ATOM 2485 CA GLY B 64 91.509 3.835 5.438 1.00 0.00 C ATOM 2486 C GLY B 64 92.421 3.455 4.266 1.00 0.00 C ATOM 2487 O GLY B 64 93.574 3.833 4.221 1.00 0.00 O ATOM 0 H GLY B 64 89.578 2.918 5.491 1.00 0.00 H new ATOM 0 HA2 GLY B 64 90.960 4.746 5.200 1.00 0.00 H new ATOM 0 HA3 GLY B 64 92.110 4.047 6.322 1.00 0.00 H new ATOM 2491 N ASP B 65 91.918 2.709 3.320 1.00 0.00 N ATOM 2492 CA ASP B 65 92.763 2.306 2.158 1.00 0.00 C ATOM 2493 C ASP B 65 92.894 3.479 1.181 1.00 0.00 C ATOM 2494 O ASP B 65 93.525 3.368 0.148 1.00 0.00 O ATOM 2495 CB ASP B 65 92.118 1.120 1.439 1.00 0.00 C ATOM 2496 CG ASP B 65 90.772 1.548 0.851 1.00 0.00 C ATOM 2497 OD1 ASP B 65 90.238 2.545 1.308 1.00 0.00 O ATOM 2498 OD2 ASP B 65 90.299 0.873 -0.049 1.00 0.00 O ATOM 0 H ASP B 65 90.959 2.361 3.301 1.00 0.00 H new ATOM 0 HA ASP B 65 93.751 2.021 2.518 1.00 0.00 H new ATOM 0 HB2 ASP B 65 92.775 0.761 0.647 1.00 0.00 H new ATOM 0 HB3 ASP B 65 91.976 0.293 2.135 1.00 0.00 H new ATOM 2503 N GLY B 66 92.319 4.607 1.502 1.00 0.00 N ATOM 2504 CA GLY B 66 92.431 5.787 0.596 1.00 0.00 C ATOM 2505 C GLY B 66 91.588 5.572 -0.661 1.00 0.00 C ATOM 2506 O GLY B 66 91.684 6.316 -1.618 1.00 0.00 O ATOM 0 H GLY B 66 91.777 4.762 2.352 1.00 0.00 H new ATOM 0 HA2 GLY B 66 92.099 6.686 1.116 1.00 0.00 H new ATOM 0 HA3 GLY B 66 93.474 5.945 0.320 1.00 0.00 H new ATOM 2510 N GLU B 67 90.756 4.568 -0.668 1.00 0.00 N ATOM 2511 CA GLU B 67 89.891 4.294 -1.852 1.00 0.00 C ATOM 2512 C GLU B 67 88.524 3.861 -1.328 1.00 0.00 C ATOM 2513 O GLU B 67 88.410 3.456 -0.189 1.00 0.00 O ATOM 2514 CB GLU B 67 90.510 3.167 -2.680 1.00 0.00 C ATOM 2515 CG GLU B 67 91.812 3.660 -3.312 1.00 0.00 C ATOM 2516 CD GLU B 67 92.451 2.524 -4.109 1.00 0.00 C ATOM 2517 OE1 GLU B 67 91.983 1.403 -3.984 1.00 0.00 O ATOM 2518 OE2 GLU B 67 93.396 2.793 -4.832 1.00 0.00 O ATOM 0 H GLU B 67 90.636 3.916 0.107 1.00 0.00 H new ATOM 0 HA GLU B 67 89.797 5.179 -2.482 1.00 0.00 H new ATOM 0 HB2 GLU B 67 90.705 2.301 -2.048 1.00 0.00 H new ATOM 0 HB3 GLU B 67 89.815 2.846 -3.456 1.00 0.00 H new ATOM 0 HG2 GLU B 67 91.613 4.510 -3.965 1.00 0.00 H new ATOM 0 HG3 GLU B 67 92.497 4.006 -2.538 1.00 0.00 H new ATOM 2525 N CYS B 68 87.481 3.941 -2.123 1.00 0.00 N ATOM 2526 CA CYS B 68 86.127 3.528 -1.627 1.00 0.00 C ATOM 2527 C CYS B 68 85.694 2.231 -2.314 1.00 0.00 C ATOM 2528 O CYS B 68 85.331 2.217 -3.476 1.00 0.00 O ATOM 2529 CB CYS B 68 85.122 4.634 -1.948 1.00 0.00 C ATOM 2530 SG CYS B 68 83.625 4.380 -0.967 1.00 0.00 S ATOM 0 H CYS B 68 87.508 4.272 -3.087 1.00 0.00 H new ATOM 0 HA CYS B 68 86.168 3.363 -0.550 1.00 0.00 H new ATOM 0 HB2 CYS B 68 85.554 5.610 -1.727 1.00 0.00 H new ATOM 0 HB3 CYS B 68 84.881 4.625 -3.011 1.00 0.00 H new ATOM 0 HG CYS B 68 82.767 5.319 -1.234 1.00 0.00 H new ATOM 2536 N ASP B 69 85.753 1.136 -1.605 1.00 0.00 N ATOM 2537 CA ASP B 69 85.374 -0.175 -2.199 1.00 0.00 C ATOM 2538 C ASP B 69 83.865 -0.238 -2.453 1.00 0.00 C ATOM 2539 O ASP B 69 83.116 0.648 -2.092 1.00 0.00 O ATOM 2540 CB ASP B 69 85.766 -1.299 -1.238 1.00 0.00 C ATOM 2541 CG ASP B 69 87.291 -1.369 -1.129 1.00 0.00 C ATOM 2542 OD1 ASP B 69 87.952 -0.848 -2.012 1.00 0.00 O ATOM 2543 OD2 ASP B 69 87.769 -1.939 -0.162 1.00 0.00 O ATOM 0 H ASP B 69 86.051 1.095 -0.630 1.00 0.00 H new ATOM 0 HA ASP B 69 85.897 -0.291 -3.148 1.00 0.00 H new ATOM 0 HB2 ASP B 69 85.328 -1.121 -0.256 1.00 0.00 H new ATOM 0 HB3 ASP B 69 85.372 -2.251 -1.595 1.00 0.00 H new ATOM 2548 N PHE B 70 83.428 -1.301 -3.069 1.00 0.00 N ATOM 2549 CA PHE B 70 81.973 -1.465 -3.351 1.00 0.00 C ATOM 2550 C PHE B 70 81.199 -1.462 -2.029 1.00 0.00 C ATOM 2551 O PHE B 70 80.221 -0.762 -1.866 1.00 0.00 O ATOM 2552 CB PHE B 70 81.729 -2.795 -4.064 1.00 0.00 C ATOM 2553 CG PHE B 70 80.256 -2.935 -4.370 1.00 0.00 C ATOM 2554 CD1 PHE B 70 79.397 -3.509 -3.424 1.00 0.00 C ATOM 2555 CD2 PHE B 70 79.750 -2.485 -5.594 1.00 0.00 C ATOM 2556 CE1 PHE B 70 78.031 -3.633 -3.705 1.00 0.00 C ATOM 2557 CE2 PHE B 70 78.383 -2.609 -5.875 1.00 0.00 C ATOM 2558 CZ PHE B 70 77.524 -3.184 -4.931 1.00 0.00 C ATOM 0 H PHE B 70 84.019 -2.068 -3.391 1.00 0.00 H new ATOM 0 HA PHE B 70 81.637 -0.645 -3.985 1.00 0.00 H new ATOM 0 HB2 PHE B 70 82.309 -2.838 -4.986 1.00 0.00 H new ATOM 0 HB3 PHE B 70 82.062 -3.623 -3.438 1.00 0.00 H new ATOM 0 HD1 PHE B 70 79.788 -3.856 -2.479 1.00 0.00 H new ATOM 0 HD2 PHE B 70 80.413 -2.042 -6.322 1.00 0.00 H new ATOM 0 HE1 PHE B 70 77.368 -4.075 -2.976 1.00 0.00 H new ATOM 0 HE2 PHE B 70 77.992 -2.261 -6.820 1.00 0.00 H new ATOM 0 HZ PHE B 70 76.471 -3.281 -5.148 1.00 0.00 H new ATOM 2568 N GLN B 71 81.630 -2.259 -1.089 1.00 0.00 N ATOM 2569 CA GLN B 71 80.919 -2.327 0.220 1.00 0.00 C ATOM 2570 C GLN B 71 80.925 -0.946 0.880 1.00 0.00 C ATOM 2571 O GLN B 71 79.888 -0.418 1.228 1.00 0.00 O ATOM 2572 CB GLN B 71 81.621 -3.353 1.113 1.00 0.00 C ATOM 2573 CG GLN B 71 80.912 -3.444 2.466 1.00 0.00 C ATOM 2574 CD GLN B 71 81.565 -4.546 3.303 1.00 0.00 C ATOM 2575 OE1 GLN B 71 82.350 -5.324 2.797 1.00 0.00 O ATOM 2576 NE2 GLN B 71 81.286 -4.639 4.574 1.00 0.00 N ATOM 0 H GLN B 71 82.445 -2.867 -1.171 1.00 0.00 H new ATOM 0 HA GLN B 71 79.884 -2.633 0.069 1.00 0.00 H new ATOM 0 HB2 GLN B 71 81.622 -4.329 0.628 1.00 0.00 H new ATOM 0 HB3 GLN B 71 82.663 -3.068 1.258 1.00 0.00 H new ATOM 0 HG2 GLN B 71 80.975 -2.489 2.988 1.00 0.00 H new ATOM 0 HG3 GLN B 71 79.853 -3.660 2.322 1.00 0.00 H new ATOM 0 HE21 GLN B 71 80.628 -3.987 5.001 1.00 0.00 H new ATOM 0 HE22 GLN B 71 81.726 -5.364 5.141 1.00 0.00 H new ATOM 2585 N GLU B 72 82.071 -0.347 1.056 1.00 0.00 N ATOM 2586 CA GLU B 72 82.097 1.001 1.697 1.00 0.00 C ATOM 2587 C GLU B 72 81.270 1.939 0.819 1.00 0.00 C ATOM 2588 O GLU B 72 80.440 2.690 1.287 1.00 0.00 O ATOM 2589 CB GLU B 72 83.541 1.501 1.762 1.00 0.00 C ATOM 2590 CG GLU B 72 84.329 0.663 2.771 1.00 0.00 C ATOM 2591 CD GLU B 72 85.781 1.141 2.801 1.00 0.00 C ATOM 2592 OE1 GLU B 72 86.140 1.935 1.946 1.00 0.00 O ATOM 2593 OE2 GLU B 72 86.514 0.699 3.670 1.00 0.00 O ATOM 0 H GLU B 72 82.980 -0.725 0.788 1.00 0.00 H new ATOM 0 HA GLU B 72 81.692 0.961 2.708 1.00 0.00 H new ATOM 0 HB2 GLU B 72 84.004 1.434 0.778 1.00 0.00 H new ATOM 0 HB3 GLU B 72 83.560 2.551 2.053 1.00 0.00 H new ATOM 0 HG2 GLU B 72 83.884 0.753 3.762 1.00 0.00 H new ATOM 0 HG3 GLU B 72 84.287 -0.391 2.497 1.00 0.00 H new ATOM 2600 N PHE B 73 81.502 1.880 -0.462 1.00 0.00 N ATOM 2601 CA PHE B 73 80.737 2.750 -1.399 1.00 0.00 C ATOM 2602 C PHE B 73 79.255 2.645 -1.044 1.00 0.00 C ATOM 2603 O PHE B 73 78.530 3.617 -1.061 1.00 0.00 O ATOM 2604 CB PHE B 73 80.963 2.309 -2.845 1.00 0.00 C ATOM 2605 CG PHE B 73 80.078 3.126 -3.753 1.00 0.00 C ATOM 2606 CD1 PHE B 73 80.478 4.405 -4.156 1.00 0.00 C ATOM 2607 CD2 PHE B 73 78.852 2.609 -4.182 1.00 0.00 C ATOM 2608 CE1 PHE B 73 79.653 5.165 -4.994 1.00 0.00 C ATOM 2609 CE2 PHE B 73 78.025 3.367 -5.019 1.00 0.00 C ATOM 2610 CZ PHE B 73 78.427 4.645 -5.427 1.00 0.00 C ATOM 0 H PHE B 73 82.188 1.267 -0.901 1.00 0.00 H new ATOM 0 HA PHE B 73 81.076 3.782 -1.306 1.00 0.00 H new ATOM 0 HB2 PHE B 73 82.009 2.442 -3.120 1.00 0.00 H new ATOM 0 HB3 PHE B 73 80.737 1.248 -2.954 1.00 0.00 H new ATOM 0 HD1 PHE B 73 81.423 4.806 -3.821 1.00 0.00 H new ATOM 0 HD2 PHE B 73 78.543 1.623 -3.867 1.00 0.00 H new ATOM 0 HE1 PHE B 73 79.962 6.152 -5.306 1.00 0.00 H new ATOM 0 HE2 PHE B 73 77.078 2.967 -5.350 1.00 0.00 H new ATOM 0 HZ PHE B 73 77.791 5.230 -6.076 1.00 0.00 H new ATOM 2620 N MET B 74 78.810 1.472 -0.686 1.00 0.00 N ATOM 2621 CA MET B 74 77.385 1.301 -0.290 1.00 0.00 C ATOM 2622 C MET B 74 77.143 2.065 1.019 1.00 0.00 C ATOM 2623 O MET B 74 76.064 2.563 1.269 1.00 0.00 O ATOM 2624 CB MET B 74 77.076 -0.182 -0.085 1.00 0.00 C ATOM 2625 CG MET B 74 75.565 -0.374 0.066 1.00 0.00 C ATOM 2626 SD MET B 74 74.776 -0.223 -1.557 1.00 0.00 S ATOM 2627 CE MET B 74 73.069 -0.108 -0.965 1.00 0.00 C ATOM 0 H MET B 74 79.374 0.623 -0.651 1.00 0.00 H new ATOM 0 HA MET B 74 76.735 1.690 -1.074 1.00 0.00 H new ATOM 0 HB2 MET B 74 77.444 -0.761 -0.932 1.00 0.00 H new ATOM 0 HB3 MET B 74 77.591 -0.552 0.802 1.00 0.00 H new ATOM 0 HG2 MET B 74 75.353 -1.353 0.496 1.00 0.00 H new ATOM 0 HG3 MET B 74 75.159 0.370 0.751 1.00 0.00 H new ATOM 0 HE1 MET B 74 72.390 -0.078 -1.817 1.00 0.00 H new ATOM 0 HE2 MET B 74 72.839 -0.976 -0.347 1.00 0.00 H new ATOM 0 HE3 MET B 74 72.949 0.800 -0.374 1.00 0.00 H new ATOM 2637 N ALA B 75 78.152 2.182 1.845 1.00 0.00 N ATOM 2638 CA ALA B 75 77.978 2.943 3.117 1.00 0.00 C ATOM 2639 C ALA B 75 77.690 4.395 2.749 1.00 0.00 C ATOM 2640 O ALA B 75 76.724 4.990 3.185 1.00 0.00 O ATOM 2641 CB ALA B 75 79.260 2.869 3.953 1.00 0.00 C ATOM 0 H ALA B 75 79.080 1.787 1.695 1.00 0.00 H new ATOM 0 HA ALA B 75 77.161 2.522 3.703 1.00 0.00 H new ATOM 0 HB1 ALA B 75 79.123 3.427 4.879 1.00 0.00 H new ATOM 0 HB2 ALA B 75 79.483 1.828 4.186 1.00 0.00 H new ATOM 0 HB3 ALA B 75 80.088 3.299 3.389 1.00 0.00 H new ATOM 2647 N PHE B 76 78.540 4.964 1.945 1.00 0.00 N ATOM 2648 CA PHE B 76 78.348 6.377 1.533 1.00 0.00 C ATOM 2649 C PHE B 76 76.948 6.504 0.934 1.00 0.00 C ATOM 2650 O PHE B 76 76.229 7.447 1.192 1.00 0.00 O ATOM 2651 CB PHE B 76 79.399 6.738 0.483 1.00 0.00 C ATOM 2652 CG PHE B 76 79.268 8.192 0.122 1.00 0.00 C ATOM 2653 CD1 PHE B 76 79.857 9.160 0.937 1.00 0.00 C ATOM 2654 CD2 PHE B 76 78.557 8.573 -1.019 1.00 0.00 C ATOM 2655 CE1 PHE B 76 79.741 10.515 0.614 1.00 0.00 C ATOM 2656 CE2 PHE B 76 78.440 9.930 -1.347 1.00 0.00 C ATOM 2657 CZ PHE B 76 79.034 10.901 -0.528 1.00 0.00 C ATOM 0 H PHE B 76 79.364 4.508 1.554 1.00 0.00 H new ATOM 0 HA PHE B 76 78.454 7.049 2.384 1.00 0.00 H new ATOM 0 HB2 PHE B 76 80.398 6.537 0.869 1.00 0.00 H new ATOM 0 HB3 PHE B 76 79.269 6.119 -0.405 1.00 0.00 H new ATOM 0 HD1 PHE B 76 80.404 8.861 1.819 1.00 0.00 H new ATOM 0 HD2 PHE B 76 78.099 7.823 -1.647 1.00 0.00 H new ATOM 0 HE1 PHE B 76 80.197 11.263 1.246 1.00 0.00 H new ATOM 0 HE2 PHE B 76 77.893 10.228 -2.229 1.00 0.00 H new ATOM 0 HZ PHE B 76 78.945 11.947 -0.780 1.00 0.00 H new ATOM 2667 N VAL B 77 76.546 5.529 0.172 1.00 0.00 N ATOM 2668 CA VAL B 77 75.173 5.562 -0.400 1.00 0.00 C ATOM 2669 C VAL B 77 74.171 5.597 0.762 1.00 0.00 C ATOM 2670 O VAL B 77 73.237 6.374 0.767 1.00 0.00 O ATOM 2671 CB VAL B 77 74.933 4.323 -1.271 1.00 0.00 C ATOM 2672 CG1 VAL B 77 73.453 4.237 -1.650 1.00 0.00 C ATOM 2673 CG2 VAL B 77 75.768 4.436 -2.549 1.00 0.00 C ATOM 0 H VAL B 77 77.105 4.714 -0.079 1.00 0.00 H new ATOM 0 HA VAL B 77 75.049 6.445 -1.027 1.00 0.00 H new ATOM 0 HB VAL B 77 75.220 3.431 -0.715 1.00 0.00 H new ATOM 0 HG11 VAL B 77 73.287 3.355 -2.269 1.00 0.00 H new ATOM 0 HG12 VAL B 77 72.849 4.165 -0.745 1.00 0.00 H new ATOM 0 HG13 VAL B 77 73.167 5.130 -2.206 1.00 0.00 H new ATOM 0 HG21 VAL B 77 75.601 3.557 -3.172 1.00 0.00 H new ATOM 0 HG22 VAL B 77 75.474 5.331 -3.098 1.00 0.00 H new ATOM 0 HG23 VAL B 77 76.825 4.501 -2.289 1.00 0.00 H new ATOM 2683 N SER B 78 74.365 4.757 1.750 1.00 0.00 N ATOM 2684 CA SER B 78 73.433 4.734 2.919 1.00 0.00 C ATOM 2685 C SER B 78 73.513 6.061 3.675 1.00 0.00 C ATOM 2686 O SER B 78 72.517 6.601 4.110 1.00 0.00 O ATOM 2687 CB SER B 78 73.833 3.599 3.863 1.00 0.00 C ATOM 2688 OG SER B 78 75.061 3.931 4.499 1.00 0.00 O ATOM 0 H SER B 78 75.131 4.085 1.796 1.00 0.00 H new ATOM 0 HA SER B 78 72.415 4.581 2.561 1.00 0.00 H new ATOM 0 HB2 SER B 78 73.055 3.439 4.609 1.00 0.00 H new ATOM 0 HB3 SER B 78 73.938 2.667 3.307 1.00 0.00 H new ATOM 0 HG SER B 78 75.709 4.226 3.826 1.00 0.00 H new ATOM 2694 N MET B 79 74.694 6.576 3.863 1.00 0.00 N ATOM 2695 CA MET B 79 74.831 7.850 4.620 1.00 0.00 C ATOM 2696 C MET B 79 73.958 8.910 3.955 1.00 0.00 C ATOM 2697 O MET B 79 73.296 9.687 4.615 1.00 0.00 O ATOM 2698 CB MET B 79 76.297 8.301 4.608 1.00 0.00 C ATOM 2699 CG MET B 79 76.490 9.477 5.573 1.00 0.00 C ATOM 2700 SD MET B 79 76.580 8.856 7.272 1.00 0.00 S ATOM 2701 CE MET B 79 78.374 8.612 7.337 1.00 0.00 C ATOM 0 H MET B 79 75.568 6.172 3.527 1.00 0.00 H new ATOM 0 HA MET B 79 74.515 7.706 5.653 1.00 0.00 H new ATOM 0 HB2 MET B 79 76.944 7.472 4.897 1.00 0.00 H new ATOM 0 HB3 MET B 79 76.588 8.595 3.600 1.00 0.00 H new ATOM 0 HG2 MET B 79 77.402 10.020 5.324 1.00 0.00 H new ATOM 0 HG3 MET B 79 75.664 10.181 5.475 1.00 0.00 H new ATOM 0 HE1 MET B 79 78.653 8.226 8.317 1.00 0.00 H new ATOM 0 HE2 MET B 79 78.672 7.900 6.568 1.00 0.00 H new ATOM 0 HE3 MET B 79 78.877 9.564 7.165 1.00 0.00 H new ATOM 2711 N VAL B 80 73.928 8.931 2.656 1.00 0.00 N ATOM 2712 CA VAL B 80 73.068 9.919 1.953 1.00 0.00 C ATOM 2713 C VAL B 80 71.601 9.534 2.174 1.00 0.00 C ATOM 2714 O VAL B 80 70.736 10.381 2.272 1.00 0.00 O ATOM 2715 CB VAL B 80 73.386 9.922 0.457 1.00 0.00 C ATOM 2716 CG1 VAL B 80 72.390 10.829 -0.271 1.00 0.00 C ATOM 2717 CG2 VAL B 80 74.804 10.451 0.238 1.00 0.00 C ATOM 0 H VAL B 80 74.461 8.308 2.050 1.00 0.00 H new ATOM 0 HA VAL B 80 73.255 10.918 2.348 1.00 0.00 H new ATOM 0 HB VAL B 80 73.311 8.907 0.067 1.00 0.00 H new ATOM 0 HG11 VAL B 80 72.614 10.833 -1.338 1.00 0.00 H new ATOM 0 HG12 VAL B 80 71.377 10.457 -0.114 1.00 0.00 H new ATOM 0 HG13 VAL B 80 72.468 11.843 0.120 1.00 0.00 H new ATOM 0 HG21 VAL B 80 75.031 10.453 -0.828 1.00 0.00 H new ATOM 0 HG22 VAL B 80 74.878 11.467 0.627 1.00 0.00 H new ATOM 0 HG23 VAL B 80 75.516 9.811 0.759 1.00 0.00 H new ATOM 2727 N THR B 81 71.320 8.258 2.268 1.00 0.00 N ATOM 2728 CA THR B 81 69.910 7.823 2.499 1.00 0.00 C ATOM 2729 C THR B 81 69.437 8.361 3.853 1.00 0.00 C ATOM 2730 O THR B 81 68.356 8.902 3.969 1.00 0.00 O ATOM 2731 CB THR B 81 69.826 6.290 2.496 1.00 0.00 C ATOM 2732 OG1 THR B 81 70.268 5.797 1.239 1.00 0.00 O ATOM 2733 CG2 THR B 81 68.378 5.848 2.732 1.00 0.00 C ATOM 0 H THR B 81 72.002 7.503 2.195 1.00 0.00 H new ATOM 0 HA THR B 81 69.275 8.212 1.703 1.00 0.00 H new ATOM 0 HB THR B 81 70.458 5.894 3.291 1.00 0.00 H new ATOM 0 HG1 THR B 81 71.227 5.973 1.137 1.00 0.00 H new ATOM 0 HG21 THR B 81 68.325 4.759 2.729 1.00 0.00 H new ATOM 0 HG22 THR B 81 68.035 6.225 3.695 1.00 0.00 H new ATOM 0 HG23 THR B 81 67.743 6.245 1.940 1.00 0.00 H new ATOM 2741 N THR B 82 70.240 8.228 4.878 1.00 0.00 N ATOM 2742 CA THR B 82 69.827 8.744 6.211 1.00 0.00 C ATOM 2743 C THR B 82 69.773 10.271 6.152 1.00 0.00 C ATOM 2744 O THR B 82 68.789 10.885 6.515 1.00 0.00 O ATOM 2745 CB THR B 82 70.856 8.310 7.260 1.00 0.00 C ATOM 2746 OG1 THR B 82 72.159 8.653 6.809 1.00 0.00 O ATOM 2747 CG2 THR B 82 70.772 6.797 7.480 1.00 0.00 C ATOM 0 H THR B 82 71.159 7.786 4.847 1.00 0.00 H new ATOM 0 HA THR B 82 68.847 8.349 6.479 1.00 0.00 H new ATOM 0 HB THR B 82 70.647 8.818 8.201 1.00 0.00 H new ATOM 0 HG1 THR B 82 72.820 8.378 7.478 1.00 0.00 H new ATOM 0 HG21 THR B 82 71.507 6.497 8.227 1.00 0.00 H new ATOM 0 HG22 THR B 82 69.773 6.535 7.828 1.00 0.00 H new ATOM 0 HG23 THR B 82 70.977 6.281 6.542 1.00 0.00 H new ATOM 2755 N ALA B 83 70.834 10.888 5.705 1.00 0.00 N ATOM 2756 CA ALA B 83 70.860 12.377 5.628 1.00 0.00 C ATOM 2757 C ALA B 83 69.570 12.871 4.969 1.00 0.00 C ATOM 2758 O ALA B 83 68.993 13.860 5.377 1.00 0.00 O ATOM 2759 CB ALA B 83 72.065 12.816 4.797 1.00 0.00 C ATOM 0 H ALA B 83 71.686 10.424 5.389 1.00 0.00 H new ATOM 0 HA ALA B 83 70.938 12.799 6.630 1.00 0.00 H new ATOM 0 HB1 ALA B 83 72.089 13.904 4.737 1.00 0.00 H new ATOM 0 HB2 ALA B 83 72.981 12.458 5.267 1.00 0.00 H new ATOM 0 HB3 ALA B 83 71.986 12.399 3.793 1.00 0.00 H new ATOM 2765 N CYS B 84 69.112 12.190 3.957 1.00 0.00 N ATOM 2766 CA CYS B 84 67.858 12.623 3.281 1.00 0.00 C ATOM 2767 C CYS B 84 66.716 12.619 4.302 1.00 0.00 C ATOM 2768 O CYS B 84 66.599 11.722 5.112 1.00 0.00 O ATOM 2769 CB CYS B 84 67.533 11.656 2.139 1.00 0.00 C ATOM 2770 SG CYS B 84 65.992 12.162 1.339 1.00 0.00 S ATOM 0 H CYS B 84 69.550 11.354 3.569 1.00 0.00 H new ATOM 0 HA CYS B 84 67.983 13.627 2.874 1.00 0.00 H new ATOM 0 HB2 CYS B 84 68.346 11.648 1.413 1.00 0.00 H new ATOM 0 HB3 CYS B 84 67.439 10.641 2.524 1.00 0.00 H new ATOM 0 HG CYS B 84 65.718 11.342 0.368 1.00 0.00 H new