USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 664 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 35 GLN : amide:sc= -2.01 X(o=-2,f=-1.9!) USER MOD Set 1.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.2 (180deg=-0.63) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HE2:sc= 0.144 K(o=0.14,f=-1.2) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 7 HIS : no HD1:sc= -0.739 X(o=-0.74,f=-0.29) USER MOD Single : A 8 HIS : no HD1:sc= -0.58 X(o=-0.58,f=-0.44) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.361 X(o=-0.36,f=-0.33) USER MOD Single : A 11 MET CE :methyl -161:sc= -0.16 (180deg=-0.664) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.0542 X(o=-0.054,f=-0.015) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -104:sc= 1.47 USER MOD Single : A 24 ASN : amide:sc= -0.0072 K(o=-0.0072,f=-0.92) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -167:sc= 1.06 (180deg=0.92) USER MOD Single : A 33 MET CE :methyl 145:sc= 0 (180deg=-0.988) USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -170:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 180:sc= -1.25 USER MOD Single : A 45 SER OG : rot 180:sc= -0.0942 USER MOD Single : A 46 GLN : amide:sc= -0.242 K(o=-0.24,f=-1.7) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 105:sc= 0.384 USER MOD Single : A 54 ASN : amide:sc= -0.492 K(o=-0.49,f=-4.7!) USER MOD Single : A 55 SER OG : rot -26:sc= 0.444 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= -0.385 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -138:sc= 0.483 (180deg=-0.374) USER MOD Single : A 66 CYS SG : rot 176:sc= -0.847 USER MOD Single : A 67 GLN :FLIP amide:sc= -2.1! C(o=-2.9!,f=-2.1!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS :FLIP no HE2:sc= 0.301 F(o=-1.1,f=0.3) USER MOD Single : A 77 LYS NZ :NH3+ -162:sc= 1.09 (180deg=1.04) USER MOD Single : A 78 LYS NZ :NH3+ -136:sc= 0.591 (180deg=-0.725!) USER MOD Single : A 79 THR OG1 : rot 71:sc= 0.771 USER MOD Single : A 80 LYS NZ :NH3+ -156:sc= -2.49 (180deg=-3.68!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.185 7.838 16.733 1.00 62.22 N ATOM 2 CA MET A 1 8.288 8.078 17.701 1.00 3.33 C ATOM 3 C MET A 1 8.916 6.751 18.143 1.00 71.04 C ATOM 4 O MET A 1 8.218 5.844 18.594 1.00 5.40 O ATOM 5 CB MET A 1 7.759 8.835 18.928 1.00 52.24 C ATOM 6 CG MET A 1 8.844 9.261 19.910 1.00 71.41 C ATOM 7 SD MET A 1 8.177 10.023 21.405 1.00 53.23 S ATOM 8 CE MET A 1 7.178 11.342 20.715 1.00 4.41 C ATOM 0 H1 MET A 1 6.772 8.748 16.445 1.00 62.22 H new ATOM 0 H2 MET A 1 7.559 7.347 15.896 1.00 62.22 H new ATOM 0 H3 MET A 1 6.452 7.251 17.180 1.00 62.22 H new ATOM 0 HA MET A 1 9.051 8.680 17.209 1.00 3.33 H new ATOM 0 HB2 MET A 1 7.220 9.721 18.591 1.00 52.24 H new ATOM 0 HB3 MET A 1 7.039 8.203 19.449 1.00 52.24 H new ATOM 0 HG2 MET A 1 9.439 8.391 20.186 1.00 71.41 H new ATOM 0 HG3 MET A 1 9.516 9.964 19.419 1.00 71.41 H new ATOM 0 HE1 MET A 1 6.952 12.072 21.492 1.00 4.41 H new ATOM 0 HE2 MET A 1 7.725 11.829 19.908 1.00 4.41 H new ATOM 0 HE3 MET A 1 6.248 10.928 20.325 1.00 4.41 H new ATOM 20 N GLY A 2 10.232 6.638 18.002 1.00 45.33 N ATOM 21 CA GLY A 2 10.934 5.423 18.403 1.00 62.21 C ATOM 22 C GLY A 2 11.145 4.435 17.258 1.00 35.42 C ATOM 23 O GLY A 2 12.185 3.778 17.186 1.00 63.42 O ATOM 0 H GLY A 2 10.832 7.367 17.616 1.00 45.33 H new ATOM 0 HA2 GLY A 2 11.903 5.694 18.821 1.00 62.21 H new ATOM 0 HA3 GLY A 2 10.370 4.932 19.196 1.00 62.21 H new ATOM 27 N HIS A 3 10.167 4.326 16.356 1.00 60.34 N ATOM 28 CA HIS A 3 10.259 3.376 15.241 1.00 61.42 C ATOM 29 C HIS A 3 11.210 3.883 14.145 1.00 40.12 C ATOM 30 O HIS A 3 10.818 4.651 13.257 1.00 54.01 O ATOM 31 CB HIS A 3 8.871 3.084 14.649 1.00 30.21 C ATOM 32 CG HIS A 3 8.899 2.070 13.540 1.00 51.41 C ATOM 33 ND1 HIS A 3 8.943 0.712 13.764 1.00 74.42 N ATOM 34 CD2 HIS A 3 8.906 2.220 12.192 1.00 52.21 C ATOM 35 CE1 HIS A 3 8.979 0.074 12.613 1.00 33.02 C ATOM 36 NE2 HIS A 3 8.955 0.964 11.645 1.00 54.45 N ATOM 0 H HIS A 3 9.309 4.877 16.373 1.00 60.34 H new ATOM 0 HA HIS A 3 10.668 2.448 15.640 1.00 61.42 H new ATOM 0 HB2 HIS A 3 8.213 2.727 15.442 1.00 30.21 H new ATOM 0 HB3 HIS A 3 8.442 4.012 14.272 1.00 30.21 H new ATOM 0 HD2 HIS A 3 8.878 3.154 11.651 1.00 52.21 H new ATOM 0 HE1 HIS A 3 9.021 -0.998 12.485 1.00 33.02 H new ATOM 0 HE2 HIS A 3 8.970 0.753 10.647 1.00 54.45 H new ATOM 45 N HIS A 4 12.461 3.445 14.213 1.00 13.24 N ATOM 46 CA HIS A 4 13.464 3.812 13.213 1.00 3.54 C ATOM 47 C HIS A 4 13.159 3.150 11.860 1.00 32.43 C ATOM 48 O HIS A 4 12.763 1.986 11.796 1.00 30.11 O ATOM 49 CB HIS A 4 14.866 3.422 13.692 1.00 51.12 C ATOM 50 CG HIS A 4 15.269 4.113 14.954 1.00 52.55 C ATOM 51 ND1 HIS A 4 15.148 3.537 16.200 1.00 44.00 N ATOM 52 CD2 HIS A 4 15.800 5.341 15.162 1.00 53.22 C ATOM 53 CE1 HIS A 4 15.584 4.377 17.115 1.00 1.44 C ATOM 54 NE2 HIS A 4 15.984 5.476 16.515 1.00 42.13 N ATOM 0 H HIS A 4 12.809 2.833 14.951 1.00 13.24 H new ATOM 0 HA HIS A 4 13.428 4.893 13.079 1.00 3.54 H new ATOM 0 HB2 HIS A 4 14.903 2.344 13.848 1.00 51.12 H new ATOM 0 HB3 HIS A 4 15.589 3.656 12.910 1.00 51.12 H new ATOM 0 HD2 HIS A 4 16.034 6.076 14.406 1.00 53.22 H new ATOM 0 HE1 HIS A 4 15.609 4.194 18.179 1.00 1.44 H new ATOM 0 HE2 HIS A 4 16.369 6.298 16.981 1.00 42.13 H new ATOM 63 N HIS A 5 13.352 3.903 10.784 1.00 34.35 N ATOM 64 CA HIS A 5 13.053 3.430 9.430 1.00 64.11 C ATOM 65 C HIS A 5 14.182 3.795 8.453 1.00 50.10 C ATOM 66 O HIS A 5 14.530 4.966 8.300 1.00 52.31 O ATOM 67 CB HIS A 5 11.712 4.016 8.963 1.00 22.32 C ATOM 68 CG HIS A 5 11.582 5.493 9.201 1.00 45.31 C ATOM 69 ND1 HIS A 5 11.266 6.027 10.434 1.00 71.42 N ATOM 70 CD2 HIS A 5 11.725 6.551 8.364 1.00 53.22 C ATOM 71 CE1 HIS A 5 11.224 7.340 10.346 1.00 1.02 C ATOM 72 NE2 HIS A 5 11.497 7.684 9.105 1.00 44.23 N ATOM 0 H HIS A 5 13.718 4.854 10.820 1.00 34.35 H new ATOM 0 HA HIS A 5 12.977 2.343 9.448 1.00 64.11 H new ATOM 0 HB2 HIS A 5 11.590 3.817 7.898 1.00 22.32 H new ATOM 0 HB3 HIS A 5 10.901 3.501 9.479 1.00 22.32 H new ATOM 0 HD1 HIS A 5 11.092 5.488 11.282 1.00 71.42 H new ATOM 0 HD2 HIS A 5 11.972 6.510 7.313 1.00 53.22 H new ATOM 0 HE1 HIS A 5 11.003 8.020 11.155 1.00 1.02 H new ATOM 81 N HIS A 6 14.745 2.786 7.796 1.00 72.01 N ATOM 82 CA HIS A 6 15.865 2.986 6.873 1.00 50.54 C ATOM 83 C HIS A 6 15.387 3.474 5.494 1.00 34.32 C ATOM 84 O HIS A 6 14.193 3.682 5.279 1.00 14.32 O ATOM 85 CB HIS A 6 16.666 1.686 6.751 1.00 34.00 C ATOM 86 CG HIS A 6 17.292 1.267 8.046 1.00 62.43 C ATOM 87 ND1 HIS A 6 16.635 0.514 8.995 1.00 62.42 N ATOM 88 CD2 HIS A 6 18.516 1.526 8.564 1.00 11.40 C ATOM 89 CE1 HIS A 6 17.421 0.334 10.034 1.00 63.13 C ATOM 90 NE2 HIS A 6 18.568 0.935 9.798 1.00 41.32 N ATOM 0 H HIS A 6 14.444 1.815 7.884 1.00 72.01 H new ATOM 0 HA HIS A 6 16.510 3.766 7.277 1.00 50.54 H new ATOM 0 HB2 HIS A 6 16.009 0.892 6.396 1.00 34.00 H new ATOM 0 HB3 HIS A 6 17.446 1.814 6.000 1.00 34.00 H new ATOM 0 HD2 HIS A 6 19.304 2.093 8.092 1.00 11.40 H new ATOM 0 HE1 HIS A 6 17.168 -0.214 10.929 1.00 63.13 H new ATOM 0 HE2 HIS A 6 19.367 0.957 10.432 1.00 41.32 H new ATOM 99 N HIS A 7 16.321 3.649 4.561 1.00 63.23 N ATOM 100 CA HIS A 7 16.007 4.295 3.280 1.00 74.02 C ATOM 101 C HIS A 7 15.220 3.361 2.334 1.00 14.32 C ATOM 102 O HIS A 7 14.092 3.668 1.956 1.00 21.24 O ATOM 103 CB HIS A 7 17.299 4.790 2.613 1.00 15.33 C ATOM 104 CG HIS A 7 17.088 5.911 1.635 1.00 41.14 C ATOM 105 ND1 HIS A 7 17.912 6.138 0.554 1.00 22.40 N ATOM 106 CD2 HIS A 7 16.151 6.894 1.599 1.00 1.31 C ATOM 107 CE1 HIS A 7 17.499 7.206 -0.099 1.00 14.34 C ATOM 108 NE2 HIS A 7 16.433 7.683 0.512 1.00 73.43 N ATOM 0 H HIS A 7 17.293 3.357 4.662 1.00 63.23 H new ATOM 0 HA HIS A 7 15.362 5.149 3.486 1.00 74.02 H new ATOM 0 HB2 HIS A 7 17.992 5.121 3.387 1.00 15.33 H new ATOM 0 HB3 HIS A 7 17.773 3.955 2.097 1.00 15.33 H new ATOM 0 HD2 HIS A 7 15.337 7.029 2.295 1.00 1.31 H new ATOM 0 HE1 HIS A 7 17.957 7.620 -0.985 1.00 14.34 H new ATOM 0 HE2 HIS A 7 15.903 8.506 0.224 1.00 73.43 H new ATOM 117 N HIS A 8 15.824 2.230 1.949 1.00 34.33 N ATOM 118 CA HIS A 8 15.164 1.245 1.064 1.00 32.52 C ATOM 119 C HIS A 8 14.655 1.887 -0.243 1.00 13.41 C ATOM 120 O HIS A 8 13.674 1.422 -0.823 1.00 15.13 O ATOM 121 CB HIS A 8 13.985 0.574 1.793 1.00 74.21 C ATOM 122 CG HIS A 8 14.390 -0.263 2.968 1.00 42.23 C ATOM 123 ND1 HIS A 8 14.479 -1.637 2.916 1.00 41.20 N ATOM 124 CD2 HIS A 8 14.710 0.080 4.240 1.00 44.45 C ATOM 125 CE1 HIS A 8 14.835 -2.099 4.096 1.00 64.14 C ATOM 126 NE2 HIS A 8 14.983 -1.082 4.917 1.00 34.03 N ATOM 0 H HIS A 8 16.768 1.969 2.233 1.00 34.33 H new ATOM 0 HA HIS A 8 15.915 0.498 0.805 1.00 32.52 H new ATOM 0 HB2 HIS A 8 13.294 1.346 2.131 1.00 74.21 H new ATOM 0 HB3 HIS A 8 13.442 -0.052 1.085 1.00 74.21 H new ATOM 0 HD2 HIS A 8 14.744 1.081 4.645 1.00 44.45 H new ATOM 0 HE1 HIS A 8 14.981 -3.139 4.348 1.00 64.14 H new ATOM 0 HE2 HIS A 8 15.256 -1.147 5.898 1.00 34.03 H new ATOM 135 N SER A 9 15.344 2.922 -0.719 1.00 63.23 N ATOM 136 CA SER A 9 14.865 3.715 -1.865 1.00 65.33 C ATOM 137 C SER A 9 14.811 2.905 -3.172 1.00 71.03 C ATOM 138 O SER A 9 15.755 2.906 -3.962 1.00 11.31 O ATOM 139 CB SER A 9 15.732 4.968 -2.064 1.00 31.23 C ATOM 140 OG SER A 9 15.202 5.802 -3.082 1.00 22.54 O ATOM 0 H SER A 9 16.235 3.236 -0.334 1.00 63.23 H new ATOM 0 HA SER A 9 13.844 4.013 -1.624 1.00 65.33 H new ATOM 0 HB2 SER A 9 15.792 5.524 -1.129 1.00 31.23 H new ATOM 0 HB3 SER A 9 16.748 4.673 -2.325 1.00 31.23 H new ATOM 0 HG SER A 9 15.772 6.592 -3.187 1.00 22.54 H new ATOM 146 N HIS A 10 13.706 2.184 -3.364 1.00 14.45 N ATOM 147 CA HIS A 10 13.409 1.485 -4.627 1.00 44.14 C ATOM 148 C HIS A 10 11.906 1.187 -4.748 1.00 75.45 C ATOM 149 O HIS A 10 11.294 1.437 -5.785 1.00 21.45 O ATOM 150 CB HIS A 10 14.215 0.179 -4.761 1.00 41.02 C ATOM 151 CG HIS A 10 15.554 0.354 -5.418 1.00 30.31 C ATOM 152 ND1 HIS A 10 15.698 0.674 -6.751 1.00 10.40 N ATOM 153 CD2 HIS A 10 16.813 0.265 -4.925 1.00 3.04 C ATOM 154 CE1 HIS A 10 16.976 0.770 -7.048 1.00 65.13 C ATOM 155 NE2 HIS A 10 17.677 0.529 -5.960 1.00 13.22 N ATOM 0 H HIS A 10 12.987 2.064 -2.651 1.00 14.45 H new ATOM 0 HA HIS A 10 13.706 2.150 -5.438 1.00 44.14 H new ATOM 0 HB2 HIS A 10 14.361 -0.249 -3.769 1.00 41.02 H new ATOM 0 HB3 HIS A 10 13.631 -0.540 -5.336 1.00 41.02 H new ATOM 0 HD2 HIS A 10 17.087 0.030 -3.907 1.00 3.04 H new ATOM 0 HE1 HIS A 10 17.382 1.007 -8.021 1.00 65.13 H new ATOM 0 HE2 HIS A 10 18.695 0.537 -5.896 1.00 13.22 H new ATOM 164 N MET A 11 11.320 0.642 -3.683 1.00 41.33 N ATOM 165 CA MET A 11 9.874 0.381 -3.643 1.00 75.55 C ATOM 166 C MET A 11 9.100 1.549 -3.002 1.00 12.32 C ATOM 167 O MET A 11 7.875 1.524 -2.938 1.00 41.51 O ATOM 168 CB MET A 11 9.584 -0.923 -2.886 1.00 11.50 C ATOM 169 CG MET A 11 10.244 -2.157 -3.499 1.00 13.02 C ATOM 170 SD MET A 11 9.791 -3.687 -2.647 1.00 22.51 S ATOM 171 CE MET A 11 10.308 -3.318 -0.969 1.00 61.32 C ATOM 0 H MET A 11 11.819 0.372 -2.836 1.00 41.33 H new ATOM 0 HA MET A 11 9.532 0.280 -4.673 1.00 75.55 H new ATOM 0 HB2 MET A 11 9.923 -0.816 -1.856 1.00 11.50 H new ATOM 0 HB3 MET A 11 8.506 -1.079 -2.852 1.00 11.50 H new ATOM 0 HG2 MET A 11 9.960 -2.233 -4.549 1.00 13.02 H new ATOM 0 HG3 MET A 11 11.327 -2.037 -3.470 1.00 13.02 H new ATOM 0 HE1 MET A 11 10.412 -4.247 -0.408 1.00 61.32 H new ATOM 0 HE2 MET A 11 11.265 -2.797 -0.989 1.00 61.32 H new ATOM 0 HE3 MET A 11 9.561 -2.686 -0.489 1.00 61.32 H new ATOM 181 N LEU A 12 9.820 2.568 -2.522 1.00 54.45 N ATOM 182 CA LEU A 12 9.178 3.787 -1.997 1.00 31.33 C ATOM 183 C LEU A 12 8.411 4.532 -3.111 1.00 45.34 C ATOM 184 O LEU A 12 7.282 4.969 -2.898 1.00 73.24 O ATOM 185 CB LEU A 12 10.208 4.718 -1.324 1.00 74.42 C ATOM 186 CG LEU A 12 10.617 4.334 0.113 1.00 34.43 C ATOM 187 CD1 LEU A 12 11.188 2.921 0.167 1.00 24.14 C ATOM 188 CD2 LEU A 12 11.615 5.347 0.673 1.00 24.33 C ATOM 0 H LEU A 12 10.839 2.578 -2.484 1.00 54.45 H new ATOM 0 HA LEU A 12 8.460 3.480 -1.237 1.00 31.33 H new ATOM 0 HB2 LEU A 12 11.105 4.745 -1.943 1.00 74.42 H new ATOM 0 HB3 LEU A 12 9.801 5.729 -1.309 1.00 74.42 H new ATOM 0 HG LEU A 12 9.722 4.351 0.735 1.00 34.43 H new ATOM 0 HD11 LEU A 12 11.467 2.680 1.193 1.00 24.14 H new ATOM 0 HD12 LEU A 12 10.437 2.212 -0.181 1.00 24.14 H new ATOM 0 HD13 LEU A 12 12.069 2.860 -0.472 1.00 24.14 H new ATOM 0 HD21 LEU A 12 11.893 5.061 1.687 1.00 24.33 H new ATOM 0 HD22 LEU A 12 12.505 5.366 0.044 1.00 24.33 H new ATOM 0 HD23 LEU A 12 11.159 6.337 0.687 1.00 24.33 H new ATOM 200 N PRO A 13 9.014 4.708 -4.312 1.00 43.25 N ATOM 201 CA PRO A 13 8.274 5.135 -5.494 1.00 3.54 C ATOM 202 C PRO A 13 7.701 3.926 -6.259 1.00 63.32 C ATOM 203 O PRO A 13 8.242 2.819 -6.179 1.00 21.02 O ATOM 204 CB PRO A 13 9.332 5.873 -6.329 1.00 25.34 C ATOM 205 CG PRO A 13 10.666 5.348 -5.876 1.00 73.25 C ATOM 206 CD PRO A 13 10.447 4.536 -4.615 1.00 11.41 C ATOM 0 HA PRO A 13 7.413 5.759 -5.254 1.00 3.54 H new ATOM 0 HB2 PRO A 13 9.184 5.692 -7.394 1.00 25.34 H new ATOM 0 HB3 PRO A 13 9.266 6.950 -6.177 1.00 25.34 H new ATOM 0 HG2 PRO A 13 11.116 4.731 -6.653 1.00 73.25 H new ATOM 0 HG3 PRO A 13 11.354 6.171 -5.684 1.00 73.25 H new ATOM 0 HD2 PRO A 13 10.697 3.486 -4.770 1.00 11.41 H new ATOM 0 HD3 PRO A 13 11.072 4.895 -3.797 1.00 11.41 H new ATOM 214 N PRO A 14 6.579 4.097 -6.982 1.00 41.14 N ATOM 215 CA PRO A 14 5.959 3.006 -7.759 1.00 41.34 C ATOM 216 C PRO A 14 6.776 2.600 -9.005 1.00 11.24 C ATOM 217 O PRO A 14 6.285 2.655 -10.136 1.00 21.41 O ATOM 218 CB PRO A 14 4.584 3.586 -8.156 1.00 2.14 C ATOM 219 CG PRO A 14 4.410 4.808 -7.314 1.00 23.24 C ATOM 220 CD PRO A 14 5.795 5.335 -7.074 1.00 25.40 C ATOM 0 HA PRO A 14 5.896 2.086 -7.178 1.00 41.34 H new ATOM 0 HB2 PRO A 14 4.553 3.833 -9.217 1.00 2.14 H new ATOM 0 HB3 PRO A 14 3.786 2.866 -7.973 1.00 2.14 H new ATOM 0 HG2 PRO A 14 3.792 5.548 -7.821 1.00 23.24 H new ATOM 0 HG3 PRO A 14 3.914 4.568 -6.374 1.00 23.24 H new ATOM 0 HD2 PRO A 14 6.135 5.974 -7.889 1.00 25.40 H new ATOM 0 HD3 PRO A 14 5.855 5.925 -6.159 1.00 25.40 H new ATOM 228 N GLU A 15 8.022 2.182 -8.786 1.00 34.31 N ATOM 229 CA GLU A 15 8.899 1.730 -9.868 1.00 65.10 C ATOM 230 C GLU A 15 8.669 0.246 -10.179 1.00 34.15 C ATOM 231 O GLU A 15 8.375 -0.125 -11.319 1.00 0.05 O ATOM 232 CB GLU A 15 10.371 1.968 -9.485 1.00 30.24 C ATOM 233 CG GLU A 15 11.373 1.407 -10.493 1.00 13.54 C ATOM 234 CD GLU A 15 12.818 1.676 -10.101 1.00 34.42 C ATOM 235 OE1 GLU A 15 13.334 0.990 -9.193 1.00 35.44 O ATOM 236 OE2 GLU A 15 13.447 2.576 -10.698 1.00 23.53 O ATOM 0 H GLU A 15 8.451 2.147 -7.861 1.00 34.31 H new ATOM 0 HA GLU A 15 8.663 2.305 -10.763 1.00 65.10 H new ATOM 0 HB2 GLU A 15 10.539 3.040 -9.378 1.00 30.24 H new ATOM 0 HB3 GLU A 15 10.560 1.517 -8.511 1.00 30.24 H new ATOM 0 HG2 GLU A 15 11.222 0.332 -10.589 1.00 13.54 H new ATOM 0 HG3 GLU A 15 11.180 1.845 -11.472 1.00 13.54 H new ATOM 243 N GLN A 16 8.798 -0.593 -9.151 1.00 74.32 N ATOM 244 CA GLN A 16 8.632 -2.043 -9.295 1.00 34.45 C ATOM 245 C GLN A 16 8.063 -2.659 -8.003 1.00 33.45 C ATOM 246 O GLN A 16 8.805 -2.976 -7.070 1.00 53.22 O ATOM 247 CB GLN A 16 9.983 -2.683 -9.644 1.00 63.22 C ATOM 248 CG GLN A 16 9.919 -4.185 -9.903 1.00 43.43 C ATOM 249 CD GLN A 16 11.287 -4.782 -10.190 1.00 55.23 C ATOM 250 OE1 GLN A 16 12.304 -4.314 -9.688 1.00 30.15 O ATOM 251 NE2 GLN A 16 11.328 -5.817 -11.002 1.00 3.43 N ATOM 0 H GLN A 16 9.019 -0.292 -8.202 1.00 74.32 H new ATOM 0 HA GLN A 16 7.924 -2.238 -10.100 1.00 34.45 H new ATOM 0 HB2 GLN A 16 10.387 -2.191 -10.529 1.00 63.22 H new ATOM 0 HB3 GLN A 16 10.682 -2.496 -8.828 1.00 63.22 H new ATOM 0 HG2 GLN A 16 9.483 -4.682 -9.036 1.00 43.43 H new ATOM 0 HG3 GLN A 16 9.257 -4.378 -10.747 1.00 43.43 H new ATOM 0 HE21 GLN A 16 10.466 -6.184 -11.404 1.00 3.43 H new ATOM 0 HE22 GLN A 16 12.222 -6.252 -11.229 1.00 3.43 H new ATOM 260 N TRP A 17 6.740 -2.809 -7.953 1.00 50.41 N ATOM 261 CA TRP A 17 6.052 -3.312 -6.754 1.00 33.25 C ATOM 262 C TRP A 17 5.574 -4.761 -6.929 1.00 22.10 C ATOM 263 O TRP A 17 4.969 -5.113 -7.945 1.00 61.32 O ATOM 264 CB TRP A 17 4.855 -2.408 -6.417 1.00 73.12 C ATOM 265 CG TRP A 17 5.237 -1.102 -5.779 1.00 35.01 C ATOM 266 CD1 TRP A 17 6.317 -0.319 -6.078 1.00 5.11 C ATOM 267 CD2 TRP A 17 4.530 -0.426 -4.732 1.00 31.45 C ATOM 268 NE1 TRP A 17 6.326 0.795 -5.275 1.00 11.04 N ATOM 269 CE2 TRP A 17 5.238 0.754 -4.443 1.00 2.11 C ATOM 270 CE3 TRP A 17 3.367 -0.706 -4.012 1.00 2.34 C ATOM 271 CZ2 TRP A 17 4.821 1.652 -3.464 1.00 31.24 C ATOM 272 CZ3 TRP A 17 2.955 0.186 -3.040 1.00 44.11 C ATOM 273 CH2 TRP A 17 3.678 1.353 -2.775 1.00 55.11 C ATOM 0 H TRP A 17 6.117 -2.590 -8.730 1.00 50.41 H new ATOM 0 HA TRP A 17 6.770 -3.296 -5.934 1.00 33.25 H new ATOM 0 HB2 TRP A 17 4.297 -2.205 -7.331 1.00 73.12 H new ATOM 0 HB3 TRP A 17 4.184 -2.946 -5.747 1.00 73.12 H new ATOM 0 HD1 TRP A 17 7.055 -0.543 -6.834 1.00 5.11 H new ATOM 0 HE1 TRP A 17 7.029 1.534 -5.295 1.00 11.04 H new ATOM 0 HE3 TRP A 17 2.800 -1.603 -4.211 1.00 2.34 H new ATOM 0 HZ2 TRP A 17 5.380 2.552 -3.256 1.00 31.24 H new ATOM 0 HZ3 TRP A 17 2.058 -0.022 -2.475 1.00 44.11 H new ATOM 0 HH2 TRP A 17 3.327 2.031 -2.011 1.00 55.11 H new ATOM 284 N SER A 18 5.855 -5.595 -5.929 1.00 51.03 N ATOM 285 CA SER A 18 5.379 -6.984 -5.906 1.00 50.21 C ATOM 286 C SER A 18 4.153 -7.125 -4.989 1.00 63.40 C ATOM 287 O SER A 18 3.784 -6.183 -4.285 1.00 51.10 O ATOM 288 CB SER A 18 6.502 -7.921 -5.436 1.00 14.10 C ATOM 289 OG SER A 18 7.644 -7.820 -6.280 1.00 74.33 O ATOM 0 H SER A 18 6.414 -5.334 -5.117 1.00 51.03 H new ATOM 0 HA SER A 18 5.085 -7.263 -6.918 1.00 50.21 H new ATOM 0 HB2 SER A 18 6.781 -7.674 -4.412 1.00 14.10 H new ATOM 0 HB3 SER A 18 6.142 -8.950 -5.429 1.00 14.10 H new ATOM 0 HG SER A 18 8.344 -8.425 -5.957 1.00 74.33 H new ATOM 295 N HIS A 19 3.536 -8.308 -4.978 1.00 71.41 N ATOM 296 CA HIS A 19 2.308 -8.533 -4.202 1.00 72.10 C ATOM 297 C HIS A 19 2.522 -8.296 -2.691 1.00 2.32 C ATOM 298 O HIS A 19 1.725 -7.611 -2.043 1.00 33.01 O ATOM 299 CB HIS A 19 1.771 -9.950 -4.445 1.00 24.41 C ATOM 300 CG HIS A 19 1.345 -10.210 -5.862 1.00 12.20 C ATOM 301 ND1 HIS A 19 1.936 -11.159 -6.665 1.00 65.24 N ATOM 302 CD2 HIS A 19 0.360 -9.657 -6.610 1.00 55.31 C ATOM 303 CE1 HIS A 19 1.339 -11.182 -7.839 1.00 74.00 C ATOM 304 NE2 HIS A 19 0.379 -10.281 -7.833 1.00 54.54 N ATOM 0 H HIS A 19 3.863 -9.125 -5.495 1.00 71.41 H new ATOM 0 HA HIS A 19 1.572 -7.806 -4.546 1.00 72.10 H new ATOM 0 HB2 HIS A 19 2.541 -10.671 -4.170 1.00 24.41 H new ATOM 0 HB3 HIS A 19 0.922 -10.123 -3.784 1.00 24.41 H new ATOM 0 HD2 HIS A 19 -0.314 -8.872 -6.302 1.00 55.31 H new ATOM 0 HE1 HIS A 19 1.594 -11.829 -8.665 1.00 74.00 H new ATOM 0 HE2 HIS A 19 -0.249 -10.079 -8.611 1.00 54.54 H new ATOM 313 N THR A 20 3.595 -8.860 -2.132 1.00 31.35 N ATOM 314 CA THR A 20 3.909 -8.674 -0.702 1.00 13.44 C ATOM 315 C THR A 20 4.267 -7.215 -0.384 1.00 40.41 C ATOM 316 O THR A 20 3.960 -6.715 0.698 1.00 15.35 O ATOM 317 CB THR A 20 5.073 -9.583 -0.236 1.00 52.12 C ATOM 318 OG1 THR A 20 6.255 -9.310 -1.011 1.00 73.42 O ATOM 319 CG2 THR A 20 4.703 -11.056 -0.366 1.00 11.10 C ATOM 0 H THR A 20 4.260 -9.446 -2.637 1.00 31.35 H new ATOM 0 HA THR A 20 3.004 -8.952 -0.162 1.00 13.44 H new ATOM 0 HB THR A 20 5.270 -9.367 0.814 1.00 52.12 H new ATOM 0 HG1 THR A 20 6.986 -9.888 -0.708 1.00 73.42 H new ATOM 0 HG21 THR A 20 5.538 -11.672 -0.032 1.00 11.10 H new ATOM 0 HG22 THR A 20 3.828 -11.267 0.249 1.00 11.10 H new ATOM 0 HG23 THR A 20 4.478 -11.284 -1.408 1.00 11.10 H new ATOM 327 N THR A 21 4.916 -6.542 -1.334 1.00 35.23 N ATOM 328 CA THR A 21 5.254 -5.116 -1.191 1.00 51.01 C ATOM 329 C THR A 21 3.999 -4.270 -0.919 1.00 41.33 C ATOM 330 O THR A 21 3.976 -3.450 0.000 1.00 22.42 O ATOM 331 CB THR A 21 5.967 -4.569 -2.456 1.00 3.41 C ATOM 332 OG1 THR A 21 7.188 -5.292 -2.689 1.00 73.01 O ATOM 333 CG2 THR A 21 6.278 -3.078 -2.326 1.00 64.23 C ATOM 0 H THR A 21 5.221 -6.958 -2.214 1.00 35.23 H new ATOM 0 HA THR A 21 5.932 -5.040 -0.341 1.00 51.01 H new ATOM 0 HB THR A 21 5.290 -4.706 -3.299 1.00 3.41 H new ATOM 0 HG1 THR A 21 7.952 -4.740 -2.420 1.00 73.01 H new ATOM 0 HG21 THR A 21 6.777 -2.730 -3.230 1.00 64.23 H new ATOM 0 HG22 THR A 21 5.350 -2.523 -2.188 1.00 64.23 H new ATOM 0 HG23 THR A 21 6.929 -2.916 -1.467 1.00 64.23 H new ATOM 341 N VAL A 22 2.955 -4.487 -1.721 1.00 61.04 N ATOM 342 CA VAL A 22 1.672 -3.791 -1.543 1.00 72.43 C ATOM 343 C VAL A 22 1.021 -4.147 -0.194 1.00 60.53 C ATOM 344 O VAL A 22 0.505 -3.278 0.510 1.00 73.54 O ATOM 345 CB VAL A 22 0.688 -4.135 -2.691 1.00 62.32 C ATOM 346 CG1 VAL A 22 -0.645 -3.406 -2.514 1.00 33.53 C ATOM 347 CG2 VAL A 22 1.312 -3.801 -4.045 1.00 44.22 C ATOM 0 H VAL A 22 2.970 -5.141 -2.504 1.00 61.04 H new ATOM 0 HA VAL A 22 1.885 -2.722 -1.560 1.00 72.43 H new ATOM 0 HB VAL A 22 0.488 -5.206 -2.656 1.00 62.32 H new ATOM 0 HG11 VAL A 22 -1.314 -3.667 -3.334 1.00 33.53 H new ATOM 0 HG12 VAL A 22 -1.098 -3.701 -1.568 1.00 33.53 H new ATOM 0 HG13 VAL A 22 -0.474 -2.330 -2.514 1.00 33.53 H new ATOM 0 HG21 VAL A 22 0.609 -4.048 -4.840 1.00 44.22 H new ATOM 0 HG22 VAL A 22 1.546 -2.737 -4.085 1.00 44.22 H new ATOM 0 HG23 VAL A 22 2.227 -4.379 -4.177 1.00 44.22 H new ATOM 357 N ARG A 23 1.060 -5.430 0.156 1.00 64.45 N ATOM 358 CA ARG A 23 0.495 -5.919 1.421 1.00 53.41 C ATOM 359 C ARG A 23 1.160 -5.238 2.638 1.00 43.13 C ATOM 360 O ARG A 23 0.481 -4.811 3.572 1.00 0.25 O ATOM 361 CB ARG A 23 0.660 -7.445 1.499 1.00 71.14 C ATOM 362 CG ARG A 23 -0.039 -8.101 2.690 1.00 23.30 C ATOM 363 CD ARG A 23 0.160 -9.615 2.684 1.00 30.13 C ATOM 364 NE ARG A 23 -0.482 -10.276 3.822 1.00 44.11 N ATOM 365 CZ ARG A 23 0.108 -11.168 4.574 1.00 12.43 C ATOM 366 NH1 ARG A 23 1.355 -11.463 4.397 1.00 43.20 N ATOM 367 NH2 ARG A 23 -0.550 -11.751 5.522 1.00 45.32 N ATOM 0 H ARG A 23 1.480 -6.159 -0.421 1.00 64.45 H new ATOM 0 HA ARG A 23 -0.565 -5.667 1.447 1.00 53.41 H new ATOM 0 HB2 ARG A 23 0.274 -7.886 0.580 1.00 71.14 H new ATOM 0 HB3 ARG A 23 1.723 -7.680 1.544 1.00 71.14 H new ATOM 0 HG2 ARG A 23 0.351 -7.684 3.618 1.00 23.30 H new ATOM 0 HG3 ARG A 23 -1.104 -7.872 2.661 1.00 23.30 H new ATOM 0 HD2 ARG A 23 -0.241 -10.026 1.757 1.00 30.13 H new ATOM 0 HD3 ARG A 23 1.227 -9.837 2.696 1.00 30.13 H new ATOM 0 HE ARG A 23 -1.446 -10.026 4.041 1.00 44.11 H new ATOM 0 HH11 ARG A 23 1.890 -10.998 3.664 1.00 43.20 H new ATOM 0 HH12 ARG A 23 1.803 -12.161 4.991 1.00 43.20 H new ATOM 0 HH21 ARG A 23 -1.529 -11.515 5.683 1.00 45.32 H new ATOM 0 HH22 ARG A 23 -0.090 -12.447 6.109 1.00 45.32 H new ATOM 381 N ASN A 24 2.491 -5.134 2.610 1.00 2.43 N ATOM 382 CA ASN A 24 3.244 -4.451 3.673 1.00 22.51 C ATOM 383 C ASN A 24 2.992 -2.933 3.654 1.00 63.02 C ATOM 384 O ASN A 24 2.959 -2.285 4.705 1.00 71.42 O ATOM 385 CB ASN A 24 4.746 -4.747 3.543 1.00 13.34 C ATOM 386 CG ASN A 24 5.075 -6.198 3.850 1.00 51.01 C ATOM 387 OD1 ASN A 24 4.416 -6.838 4.663 1.00 74.32 O ATOM 388 ND2 ASN A 24 6.093 -6.729 3.205 1.00 4.11 N ATOM 0 H ASN A 24 3.073 -5.514 1.863 1.00 2.43 H new ATOM 0 HA ASN A 24 2.891 -4.836 4.630 1.00 22.51 H new ATOM 0 HB2 ASN A 24 5.075 -4.508 2.532 1.00 13.34 H new ATOM 0 HB3 ASN A 24 5.302 -4.099 4.221 1.00 13.34 H new ATOM 0 HD21 ASN A 24 6.354 -7.700 3.375 1.00 4.11 H new ATOM 0 HD22 ASN A 24 6.620 -6.169 2.535 1.00 4.11 H new ATOM 395 N ALA A 25 2.813 -2.370 2.460 1.00 10.44 N ATOM 396 CA ALA A 25 2.453 -0.954 2.323 1.00 10.11 C ATOM 397 C ALA A 25 1.110 -0.664 3.017 1.00 54.53 C ATOM 398 O ALA A 25 0.955 0.346 3.710 1.00 54.11 O ATOM 399 CB ALA A 25 2.396 -0.559 0.849 1.00 44.12 C ATOM 0 H ALA A 25 2.910 -2.868 1.575 1.00 10.44 H new ATOM 0 HA ALA A 25 3.222 -0.355 2.810 1.00 10.11 H new ATOM 0 HB1 ALA A 25 2.128 0.494 0.765 1.00 44.12 H new ATOM 0 HB2 ALA A 25 3.371 -0.723 0.390 1.00 44.12 H new ATOM 0 HB3 ALA A 25 1.648 -1.166 0.338 1.00 44.12 H new ATOM 405 N LEU A 26 0.147 -1.570 2.832 1.00 14.51 N ATOM 406 CA LEU A 26 -1.153 -1.474 3.505 1.00 45.25 C ATOM 407 C LEU A 26 -0.986 -1.480 5.030 1.00 45.32 C ATOM 408 O LEU A 26 -1.616 -0.695 5.734 1.00 32.40 O ATOM 409 CB LEU A 26 -2.064 -2.636 3.082 1.00 33.02 C ATOM 410 CG LEU A 26 -2.437 -2.680 1.592 1.00 30.21 C ATOM 411 CD1 LEU A 26 -3.295 -3.906 1.293 1.00 12.10 C ATOM 412 CD2 LEU A 26 -3.153 -1.397 1.174 1.00 35.20 C ATOM 0 H LEU A 26 0.242 -2.381 2.220 1.00 14.51 H new ATOM 0 HA LEU A 26 -1.612 -0.531 3.208 1.00 45.25 H new ATOM 0 HB2 LEU A 26 -1.572 -3.573 3.343 1.00 33.02 H new ATOM 0 HB3 LEU A 26 -2.983 -2.585 3.667 1.00 33.02 H new ATOM 0 HG LEU A 26 -1.519 -2.756 1.009 1.00 30.21 H new ATOM 0 HD11 LEU A 26 -3.550 -3.922 0.233 1.00 12.10 H new ATOM 0 HD12 LEU A 26 -2.740 -4.809 1.546 1.00 12.10 H new ATOM 0 HD13 LEU A 26 -4.209 -3.864 1.886 1.00 12.10 H new ATOM 0 HD21 LEU A 26 -3.407 -1.451 0.115 1.00 35.20 H new ATOM 0 HD22 LEU A 26 -4.064 -1.281 1.761 1.00 35.20 H new ATOM 0 HD23 LEU A 26 -2.499 -0.542 1.347 1.00 35.20 H new ATOM 424 N LYS A 27 -0.128 -2.370 5.529 1.00 11.43 N ATOM 425 CA LYS A 27 0.157 -2.471 6.969 1.00 41.13 C ATOM 426 C LYS A 27 0.653 -1.133 7.550 1.00 22.02 C ATOM 427 O LYS A 27 0.275 -0.749 8.660 1.00 74.32 O ATOM 428 CB LYS A 27 1.197 -3.577 7.220 1.00 52.53 C ATOM 429 CG LYS A 27 1.685 -3.664 8.664 1.00 24.31 C ATOM 430 CD LYS A 27 0.554 -3.977 9.642 1.00 32.14 C ATOM 431 CE LYS A 27 1.029 -3.891 11.087 1.00 1.43 C ATOM 432 NZ LYS A 27 -0.076 -4.111 12.058 1.00 33.14 N ATOM 0 H LYS A 27 0.388 -3.038 4.956 1.00 11.43 H new ATOM 0 HA LYS A 27 -0.774 -2.724 7.477 1.00 41.13 H new ATOM 0 HB2 LYS A 27 0.765 -4.537 6.936 1.00 52.53 H new ATOM 0 HB3 LYS A 27 2.054 -3.408 6.569 1.00 52.53 H new ATOM 0 HG2 LYS A 27 2.451 -4.435 8.740 1.00 24.31 H new ATOM 0 HG3 LYS A 27 2.153 -2.720 8.944 1.00 24.31 H new ATOM 0 HD2 LYS A 27 -0.268 -3.279 9.485 1.00 32.14 H new ATOM 0 HD3 LYS A 27 0.166 -4.976 9.444 1.00 32.14 H new ATOM 0 HE2 LYS A 27 1.810 -4.632 11.255 1.00 1.43 H new ATOM 0 HE3 LYS A 27 1.475 -2.912 11.263 1.00 1.43 H new ATOM 0 HZ1 LYS A 27 0.295 -4.043 13.027 1.00 33.14 H new ATOM 0 HZ2 LYS A 27 -0.811 -3.389 11.917 1.00 33.14 H new ATOM 0 HZ3 LYS A 27 -0.486 -5.055 11.910 1.00 33.14 H new ATOM 446 N ASP A 28 1.496 -0.431 6.792 1.00 0.22 N ATOM 447 CA ASP A 28 2.047 0.858 7.230 1.00 15.51 C ATOM 448 C ASP A 28 0.966 1.959 7.230 1.00 65.32 C ATOM 449 O ASP A 28 0.943 2.820 8.108 1.00 42.30 O ATOM 450 CB ASP A 28 3.229 1.249 6.333 1.00 12.50 C ATOM 451 CG ASP A 28 3.951 2.496 6.819 1.00 64.41 C ATOM 452 OD1 ASP A 28 4.589 2.445 7.893 1.00 40.33 O ATOM 453 OD2 ASP A 28 3.900 3.530 6.123 1.00 61.41 O ATOM 0 H ASP A 28 1.814 -0.731 5.871 1.00 0.22 H new ATOM 0 HA ASP A 28 2.402 0.753 8.255 1.00 15.51 H new ATOM 0 HB2 ASP A 28 3.935 0.420 6.289 1.00 12.50 H new ATOM 0 HB3 ASP A 28 2.869 1.416 5.318 1.00 12.50 H new ATOM 458 N LEU A 29 0.066 1.921 6.245 1.00 2.34 N ATOM 459 CA LEU A 29 -1.067 2.861 6.188 1.00 31.44 C ATOM 460 C LEU A 29 -2.145 2.502 7.227 1.00 74.11 C ATOM 461 O LEU A 29 -2.853 3.370 7.741 1.00 51.12 O ATOM 462 CB LEU A 29 -1.675 2.871 4.777 1.00 2.24 C ATOM 463 CG LEU A 29 -0.746 3.381 3.664 1.00 32.13 C ATOM 464 CD1 LEU A 29 -1.426 3.264 2.302 1.00 53.00 C ATOM 465 CD2 LEU A 29 -0.325 4.824 3.934 1.00 52.22 C ATOM 0 H LEU A 29 0.095 1.253 5.475 1.00 2.34 H new ATOM 0 HA LEU A 29 -0.691 3.856 6.424 1.00 31.44 H new ATOM 0 HB2 LEU A 29 -1.990 1.858 4.528 1.00 2.24 H new ATOM 0 HB3 LEU A 29 -2.572 3.490 4.790 1.00 2.24 H new ATOM 0 HG LEU A 29 0.150 2.760 3.654 1.00 32.13 H new ATOM 0 HD11 LEU A 29 -0.753 3.630 1.527 1.00 53.00 H new ATOM 0 HD12 LEU A 29 -1.672 2.220 2.106 1.00 53.00 H new ATOM 0 HD13 LEU A 29 -2.340 3.858 2.299 1.00 53.00 H new ATOM 0 HD21 LEU A 29 0.332 5.167 3.135 1.00 52.22 H new ATOM 0 HD22 LEU A 29 -1.210 5.460 3.974 1.00 52.22 H new ATOM 0 HD23 LEU A 29 0.203 4.877 4.886 1.00 52.22 H new ATOM 477 N LEU A 30 -2.244 1.214 7.541 1.00 32.52 N ATOM 478 CA LEU A 30 -3.197 0.701 8.537 1.00 23.20 C ATOM 479 C LEU A 30 -2.677 0.935 9.974 1.00 24.14 C ATOM 480 O LEU A 30 -3.208 0.395 10.944 1.00 43.44 O ATOM 481 CB LEU A 30 -3.418 -0.805 8.285 1.00 3.14 C ATOM 482 CG LEU A 30 -4.544 -1.472 9.095 1.00 22.21 C ATOM 483 CD1 LEU A 30 -5.906 -0.915 8.691 1.00 14.30 C ATOM 484 CD2 LEU A 30 -4.502 -2.988 8.923 1.00 52.21 C ATOM 0 H LEU A 30 -1.667 0.489 7.114 1.00 32.52 H new ATOM 0 HA LEU A 30 -4.142 1.236 8.437 1.00 23.20 H new ATOM 0 HB2 LEU A 30 -3.628 -0.948 7.225 1.00 3.14 H new ATOM 0 HB3 LEU A 30 -2.486 -1.328 8.499 1.00 3.14 H new ATOM 0 HG LEU A 30 -4.388 -1.245 10.150 1.00 22.21 H new ATOM 0 HD11 LEU A 30 -6.686 -1.401 9.277 1.00 14.30 H new ATOM 0 HD12 LEU A 30 -5.929 0.159 8.876 1.00 14.30 H new ATOM 0 HD13 LEU A 30 -6.077 -1.104 7.631 1.00 14.30 H new ATOM 0 HD21 LEU A 30 -5.305 -3.442 9.503 1.00 52.21 H new ATOM 0 HD22 LEU A 30 -4.628 -3.238 7.870 1.00 52.21 H new ATOM 0 HD23 LEU A 30 -3.542 -3.367 9.273 1.00 52.21 H new ATOM 496 N LYS A 31 -1.635 1.752 10.094 1.00 53.04 N ATOM 497 CA LYS A 31 -0.966 2.009 11.374 1.00 41.21 C ATOM 498 C LYS A 31 -1.877 2.745 12.374 1.00 54.20 C ATOM 499 O LYS A 31 -2.224 2.207 13.427 1.00 24.44 O ATOM 500 CB LYS A 31 0.300 2.832 11.104 1.00 12.24 C ATOM 501 CG LYS A 31 1.231 2.993 12.301 1.00 70.34 C ATOM 502 CD LYS A 31 2.490 3.768 11.917 1.00 51.12 C ATOM 503 CE LYS A 31 3.219 3.111 10.744 1.00 51.14 C ATOM 504 NZ LYS A 31 4.357 3.929 10.252 1.00 22.42 N ATOM 0 H LYS A 31 -1.227 2.257 9.308 1.00 53.04 H new ATOM 0 HA LYS A 31 -0.712 1.052 11.829 1.00 41.21 H new ATOM 0 HB2 LYS A 31 0.855 2.362 10.292 1.00 12.24 H new ATOM 0 HB3 LYS A 31 0.005 3.822 10.757 1.00 12.24 H new ATOM 0 HG2 LYS A 31 0.710 3.514 13.104 1.00 70.34 H new ATOM 0 HG3 LYS A 31 1.507 2.011 12.685 1.00 70.34 H new ATOM 0 HD2 LYS A 31 2.222 4.791 11.653 1.00 51.12 H new ATOM 0 HD3 LYS A 31 3.159 3.825 12.776 1.00 51.12 H new ATOM 0 HE2 LYS A 31 3.586 2.131 11.051 1.00 51.14 H new ATOM 0 HE3 LYS A 31 2.515 2.947 9.929 1.00 51.14 H new ATOM 0 HZ1 LYS A 31 4.678 3.561 9.334 1.00 22.42 H new ATOM 0 HZ2 LYS A 31 4.052 4.917 10.141 1.00 22.42 H new ATOM 0 HZ3 LYS A 31 5.139 3.883 10.936 1.00 22.42 H new ATOM 518 N ASP A 32 -2.267 3.976 12.040 1.00 33.01 N ATOM 519 CA ASP A 32 -3.060 4.812 12.956 1.00 55.51 C ATOM 520 C ASP A 32 -4.576 4.582 12.818 1.00 50.43 C ATOM 521 O ASP A 32 -5.352 5.023 13.668 1.00 42.21 O ATOM 522 CB ASP A 32 -2.748 6.293 12.710 1.00 63.44 C ATOM 523 CG ASP A 32 -1.267 6.599 12.826 1.00 22.32 C ATOM 524 OD1 ASP A 32 -0.781 6.807 13.963 1.00 11.53 O ATOM 525 OD2 ASP A 32 -0.582 6.630 11.785 1.00 22.44 O ATOM 0 H ASP A 32 -2.050 4.419 11.147 1.00 33.01 H new ATOM 0 HA ASP A 32 -2.778 4.523 13.969 1.00 55.51 H new ATOM 0 HB2 ASP A 32 -3.098 6.575 11.717 1.00 63.44 H new ATOM 0 HB3 ASP A 32 -3.299 6.902 13.427 1.00 63.44 H new ATOM 530 N MET A 33 -5.006 3.882 11.765 1.00 12.40 N ATOM 531 CA MET A 33 -6.443 3.770 11.458 1.00 30.11 C ATOM 532 C MET A 33 -6.898 2.318 11.214 1.00 65.23 C ATOM 533 O MET A 33 -6.086 1.396 11.143 1.00 74.31 O ATOM 534 CB MET A 33 -6.779 4.645 10.244 1.00 22.13 C ATOM 535 CG MET A 33 -6.014 4.272 8.982 1.00 64.02 C ATOM 536 SD MET A 33 -6.359 5.399 7.619 1.00 21.35 S ATOM 537 CE MET A 33 -5.363 4.687 6.312 1.00 72.11 C ATOM 0 H MET A 33 -4.393 3.389 11.116 1.00 12.40 H new ATOM 0 HA MET A 33 -6.988 4.120 12.335 1.00 30.11 H new ATOM 0 HB2 MET A 33 -7.848 4.575 10.043 1.00 22.13 H new ATOM 0 HB3 MET A 33 -6.569 5.686 10.490 1.00 22.13 H new ATOM 0 HG2 MET A 33 -4.945 4.276 9.193 1.00 64.02 H new ATOM 0 HG3 MET A 33 -6.277 3.256 8.687 1.00 64.02 H new ATOM 0 HE1 MET A 33 -5.874 4.810 5.357 1.00 72.11 H new ATOM 0 HE2 MET A 33 -4.398 5.192 6.274 1.00 72.11 H new ATOM 0 HE3 MET A 33 -5.210 3.626 6.508 1.00 72.11 H new ATOM 547 N ASN A 34 -8.216 2.138 11.086 1.00 11.23 N ATOM 548 CA ASN A 34 -8.828 0.812 10.899 1.00 10.51 C ATOM 549 C ASN A 34 -8.973 0.432 9.412 1.00 20.22 C ATOM 550 O ASN A 34 -8.617 1.203 8.517 1.00 72.04 O ATOM 551 CB ASN A 34 -10.202 0.771 11.581 1.00 45.42 C ATOM 552 CG ASN A 34 -10.110 0.878 13.094 1.00 33.15 C ATOM 553 OD1 ASN A 34 -9.154 0.412 13.706 1.00 63.05 O ATOM 554 ND2 ASN A 34 -11.099 1.494 13.711 1.00 74.55 N ATOM 0 H ASN A 34 -8.890 2.903 11.109 1.00 11.23 H new ATOM 0 HA ASN A 34 -8.160 0.082 11.356 1.00 10.51 H new ATOM 0 HB2 ASN A 34 -10.816 1.587 11.200 1.00 45.42 H new ATOM 0 HB3 ASN A 34 -10.706 -0.158 11.317 1.00 45.42 H new ATOM 0 HD21 ASN A 34 -11.083 1.594 14.726 1.00 74.55 H new ATOM 0 HD22 ASN A 34 -11.880 1.871 13.173 1.00 74.55 H new ATOM 561 N GLN A 35 -9.524 -0.761 9.169 1.00 34.14 N ATOM 562 CA GLN A 35 -9.636 -1.329 7.817 1.00 35.13 C ATOM 563 C GLN A 35 -10.422 -0.416 6.856 1.00 51.42 C ATOM 564 O GLN A 35 -9.917 -0.031 5.797 1.00 14.31 O ATOM 565 CB GLN A 35 -10.316 -2.706 7.883 1.00 4.03 C ATOM 566 CG GLN A 35 -9.626 -3.707 8.808 1.00 3.54 C ATOM 567 CD GLN A 35 -8.234 -4.104 8.343 1.00 24.25 C ATOM 568 OE1 GLN A 35 -7.355 -4.390 9.148 1.00 34.22 O ATOM 569 NE2 GLN A 35 -8.023 -4.155 7.042 1.00 64.03 N ATOM 0 H GLN A 35 -9.905 -1.361 9.900 1.00 34.14 H new ATOM 0 HA GLN A 35 -8.623 -1.425 7.426 1.00 35.13 H new ATOM 0 HB2 GLN A 35 -11.346 -2.574 8.215 1.00 4.03 H new ATOM 0 HB3 GLN A 35 -10.356 -3.126 6.878 1.00 4.03 H new ATOM 0 HG2 GLN A 35 -9.558 -3.278 9.808 1.00 3.54 H new ATOM 0 HG3 GLN A 35 -10.243 -4.602 8.886 1.00 3.54 H new ATOM 0 HE21 GLN A 35 -8.772 -3.912 6.394 1.00 64.03 H new ATOM 0 HE22 GLN A 35 -7.111 -4.438 6.684 1.00 64.03 H new ATOM 578 N SER A 36 -11.658 -0.083 7.229 1.00 71.01 N ATOM 579 CA SER A 36 -12.542 0.741 6.384 1.00 53.33 C ATOM 580 C SER A 36 -11.893 2.084 6.010 1.00 32.13 C ATOM 581 O SER A 36 -12.052 2.568 4.889 1.00 75.21 O ATOM 582 CB SER A 36 -13.879 0.996 7.094 1.00 40.44 C ATOM 583 OG SER A 36 -14.753 1.774 6.289 1.00 65.15 O ATOM 0 H SER A 36 -12.077 -0.370 8.114 1.00 71.01 H new ATOM 0 HA SER A 36 -12.717 0.183 5.464 1.00 53.33 H new ATOM 0 HB2 SER A 36 -14.353 0.044 7.333 1.00 40.44 H new ATOM 0 HB3 SER A 36 -13.699 1.509 8.039 1.00 40.44 H new ATOM 0 HG SER A 36 -15.596 1.918 6.767 1.00 65.15 H new ATOM 589 N SER A 37 -11.153 2.671 6.950 1.00 31.04 N ATOM 590 CA SER A 37 -10.469 3.957 6.727 1.00 12.31 C ATOM 591 C SER A 37 -9.547 3.911 5.499 1.00 51.34 C ATOM 592 O SER A 37 -9.429 4.890 4.759 1.00 54.12 O ATOM 593 CB SER A 37 -9.659 4.350 7.969 1.00 24.31 C ATOM 594 OG SER A 37 -10.495 4.461 9.114 1.00 2.13 O ATOM 0 H SER A 37 -11.008 2.279 7.880 1.00 31.04 H new ATOM 0 HA SER A 37 -11.238 4.706 6.540 1.00 12.31 H new ATOM 0 HB2 SER A 37 -8.884 3.605 8.152 1.00 24.31 H new ATOM 0 HB3 SER A 37 -9.153 5.299 7.791 1.00 24.31 H new ATOM 0 HG SER A 37 -9.989 4.862 9.851 1.00 2.13 H new ATOM 600 N LEU A 38 -8.894 2.770 5.288 1.00 60.13 N ATOM 601 CA LEU A 38 -8.037 2.575 4.114 1.00 51.20 C ATOM 602 C LEU A 38 -8.898 2.507 2.837 1.00 44.44 C ATOM 603 O LEU A 38 -8.605 3.165 1.836 1.00 62.34 O ATOM 604 CB LEU A 38 -7.203 1.285 4.292 1.00 31.15 C ATOM 605 CG LEU A 38 -5.953 1.127 3.392 1.00 33.51 C ATOM 606 CD1 LEU A 38 -6.327 0.872 1.933 1.00 22.12 C ATOM 607 CD2 LEU A 38 -5.045 2.351 3.511 1.00 42.43 C ATOM 0 H LEU A 38 -8.940 1.965 5.913 1.00 60.13 H new ATOM 0 HA LEU A 38 -7.354 3.419 4.015 1.00 51.20 H new ATOM 0 HB2 LEU A 38 -6.881 1.231 5.332 1.00 31.15 H new ATOM 0 HB3 LEU A 38 -7.857 0.431 4.116 1.00 31.15 H new ATOM 0 HG LEU A 38 -5.408 0.251 3.744 1.00 33.51 H new ATOM 0 HD11 LEU A 38 -5.420 0.767 1.338 1.00 22.12 H new ATOM 0 HD12 LEU A 38 -6.915 -0.043 1.863 1.00 22.12 H new ATOM 0 HD13 LEU A 38 -6.914 1.710 1.556 1.00 22.12 H new ATOM 0 HD21 LEU A 38 -4.172 2.220 2.871 1.00 42.43 H new ATOM 0 HD22 LEU A 38 -5.592 3.241 3.201 1.00 42.43 H new ATOM 0 HD23 LEU A 38 -4.722 2.465 4.546 1.00 42.43 H new ATOM 619 N ALA A 39 -9.980 1.733 2.898 1.00 21.10 N ATOM 620 CA ALA A 39 -10.872 1.532 1.746 1.00 30.52 C ATOM 621 C ALA A 39 -11.680 2.797 1.391 1.00 50.14 C ATOM 622 O ALA A 39 -12.391 2.826 0.386 1.00 31.11 O ATOM 623 CB ALA A 39 -11.814 0.367 2.022 1.00 13.33 C ATOM 0 H ALA A 39 -10.266 1.229 3.738 1.00 21.10 H new ATOM 0 HA ALA A 39 -10.243 1.307 0.884 1.00 30.52 H new ATOM 0 HB1 ALA A 39 -12.473 0.221 1.166 1.00 13.33 H new ATOM 0 HB2 ALA A 39 -11.232 -0.539 2.190 1.00 13.33 H new ATOM 0 HB3 ALA A 39 -12.412 0.584 2.907 1.00 13.33 H new ATOM 629 N LYS A 40 -11.588 3.834 2.222 1.00 32.41 N ATOM 630 CA LYS A 40 -12.273 5.103 1.947 1.00 74.32 C ATOM 631 C LYS A 40 -11.578 5.890 0.821 1.00 52.14 C ATOM 632 O LYS A 40 -12.210 6.265 -0.170 1.00 50.41 O ATOM 633 CB LYS A 40 -12.355 5.962 3.216 1.00 41.22 C ATOM 634 CG LYS A 40 -13.117 7.272 3.014 1.00 0.44 C ATOM 635 CD LYS A 40 -13.232 8.090 4.298 1.00 72.20 C ATOM 636 CE LYS A 40 -14.002 9.385 4.061 1.00 51.34 C ATOM 637 NZ LYS A 40 -14.143 10.188 5.304 1.00 34.24 N ATOM 0 H LYS A 40 -11.049 3.824 3.088 1.00 32.41 H new ATOM 0 HA LYS A 40 -13.283 4.862 1.616 1.00 74.32 H new ATOM 0 HB2 LYS A 40 -12.839 5.386 4.005 1.00 41.22 H new ATOM 0 HB3 LYS A 40 -11.345 6.187 3.560 1.00 41.22 H new ATOM 0 HG2 LYS A 40 -12.613 7.867 2.253 1.00 0.44 H new ATOM 0 HG3 LYS A 40 -14.116 7.052 2.637 1.00 0.44 H new ATOM 0 HD2 LYS A 40 -13.735 7.500 5.064 1.00 72.20 H new ATOM 0 HD3 LYS A 40 -12.236 8.320 4.676 1.00 72.20 H new ATOM 0 HE2 LYS A 40 -13.489 9.978 3.303 1.00 51.34 H new ATOM 0 HE3 LYS A 40 -14.991 9.151 3.667 1.00 51.34 H new ATOM 0 HZ1 LYS A 40 -14.672 11.059 5.097 1.00 34.24 H new ATOM 0 HZ2 LYS A 40 -14.655 9.633 6.019 1.00 34.24 H new ATOM 0 HZ3 LYS A 40 -13.200 10.434 5.667 1.00 34.24 H new ATOM 651 N GLU A 41 -10.279 6.146 0.979 1.00 41.24 N ATOM 652 CA GLU A 41 -9.507 6.886 -0.035 1.00 40.12 C ATOM 653 C GLU A 41 -8.933 5.948 -1.113 1.00 12.42 C ATOM 654 O GLU A 41 -8.571 6.389 -2.206 1.00 35.35 O ATOM 655 CB GLU A 41 -8.367 7.677 0.627 1.00 55.05 C ATOM 656 CG GLU A 41 -8.836 8.760 1.599 1.00 54.41 C ATOM 657 CD GLU A 41 -9.723 9.809 0.941 1.00 23.11 C ATOM 658 OE1 GLU A 41 -9.191 10.711 0.256 1.00 32.43 O ATOM 659 OE2 GLU A 41 -10.960 9.740 1.106 1.00 20.01 O ATOM 0 H GLU A 41 -9.736 5.856 1.793 1.00 41.24 H new ATOM 0 HA GLU A 41 -10.193 7.579 -0.521 1.00 40.12 H new ATOM 0 HB2 GLU A 41 -7.720 6.981 1.161 1.00 55.05 H new ATOM 0 HB3 GLU A 41 -7.762 8.141 -0.152 1.00 55.05 H new ATOM 0 HG2 GLU A 41 -9.382 8.293 2.418 1.00 54.41 H new ATOM 0 HG3 GLU A 41 -7.966 9.250 2.035 1.00 54.41 H new ATOM 666 N CYS A 42 -8.841 4.656 -0.798 1.00 12.01 N ATOM 667 CA CYS A 42 -8.345 3.654 -1.754 1.00 21.33 C ATOM 668 C CYS A 42 -9.503 2.965 -2.495 1.00 34.31 C ATOM 669 O CYS A 42 -10.535 2.661 -1.898 1.00 31.11 O ATOM 670 CB CYS A 42 -7.495 2.604 -1.030 1.00 15.00 C ATOM 671 SG CYS A 42 -6.803 1.330 -2.113 1.00 44.02 S ATOM 0 H CYS A 42 -9.102 4.274 0.111 1.00 12.01 H new ATOM 0 HA CYS A 42 -7.730 4.173 -2.489 1.00 21.33 H new ATOM 0 HB2 CYS A 42 -6.678 3.108 -0.514 1.00 15.00 H new ATOM 0 HB3 CYS A 42 -8.106 2.123 -0.266 1.00 15.00 H new ATOM 0 HG CYS A 42 -6.101 0.494 -1.407 1.00 44.02 H new ATOM 677 N PRO A 43 -9.358 2.725 -3.815 1.00 52.14 N ATOM 678 CA PRO A 43 -10.394 2.033 -4.612 1.00 42.11 C ATOM 679 C PRO A 43 -10.520 0.534 -4.269 1.00 1.10 C ATOM 680 O PRO A 43 -11.406 -0.159 -4.774 1.00 74.23 O ATOM 681 CB PRO A 43 -9.905 2.226 -6.055 1.00 32.14 C ATOM 682 CG PRO A 43 -8.425 2.385 -5.935 1.00 71.04 C ATOM 683 CD PRO A 43 -8.193 3.112 -4.638 1.00 72.43 C ATOM 0 HA PRO A 43 -11.389 2.434 -4.423 1.00 42.11 H new ATOM 0 HB2 PRO A 43 -10.162 1.370 -6.678 1.00 32.14 H new ATOM 0 HB3 PRO A 43 -10.362 3.103 -6.514 1.00 32.14 H new ATOM 0 HG2 PRO A 43 -7.927 1.416 -5.934 1.00 71.04 H new ATOM 0 HG3 PRO A 43 -8.023 2.949 -6.777 1.00 71.04 H new ATOM 0 HD2 PRO A 43 -7.254 2.812 -4.172 1.00 72.43 H new ATOM 0 HD3 PRO A 43 -8.146 4.191 -4.785 1.00 72.43 H new ATOM 691 N LEU A 44 -9.626 0.040 -3.409 1.00 31.03 N ATOM 692 CA LEU A 44 -9.638 -1.366 -2.988 1.00 65.42 C ATOM 693 C LEU A 44 -10.522 -1.565 -1.746 1.00 22.12 C ATOM 694 O LEU A 44 -10.224 -1.050 -0.668 1.00 74.23 O ATOM 695 CB LEU A 44 -8.205 -1.839 -2.704 1.00 62.40 C ATOM 696 CG LEU A 44 -7.231 -1.724 -3.891 1.00 71.11 C ATOM 697 CD1 LEU A 44 -5.817 -2.117 -3.471 1.00 21.40 C ATOM 698 CD2 LEU A 44 -7.708 -2.579 -5.069 1.00 31.24 C ATOM 0 H LEU A 44 -8.881 0.595 -2.988 1.00 31.03 H new ATOM 0 HA LEU A 44 -10.058 -1.963 -3.798 1.00 65.42 H new ATOM 0 HB2 LEU A 44 -7.807 -1.261 -1.870 1.00 62.40 H new ATOM 0 HB3 LEU A 44 -8.240 -2.880 -2.382 1.00 62.40 H new ATOM 0 HG LEU A 44 -7.210 -0.683 -4.215 1.00 71.11 H new ATOM 0 HD11 LEU A 44 -5.146 -2.028 -4.325 1.00 21.40 H new ATOM 0 HD12 LEU A 44 -5.478 -1.457 -2.673 1.00 21.40 H new ATOM 0 HD13 LEU A 44 -5.816 -3.147 -3.115 1.00 21.40 H new ATOM 0 HD21 LEU A 44 -7.005 -2.483 -5.897 1.00 31.24 H new ATOM 0 HD22 LEU A 44 -7.765 -3.623 -4.761 1.00 31.24 H new ATOM 0 HD23 LEU A 44 -8.693 -2.240 -5.389 1.00 31.24 H new ATOM 710 N SER A 45 -11.607 -2.325 -1.907 1.00 74.14 N ATOM 711 CA SER A 45 -12.567 -2.564 -0.815 1.00 43.33 C ATOM 712 C SER A 45 -11.935 -3.282 0.390 1.00 11.31 C ATOM 713 O SER A 45 -10.920 -3.974 0.261 1.00 30.45 O ATOM 714 CB SER A 45 -13.757 -3.392 -1.319 1.00 51.25 C ATOM 715 OG SER A 45 -14.614 -3.769 -0.252 1.00 14.35 O ATOM 0 H SER A 45 -11.848 -2.789 -2.783 1.00 74.14 H new ATOM 0 HA SER A 45 -12.901 -1.581 -0.482 1.00 43.33 H new ATOM 0 HB2 SER A 45 -14.319 -2.815 -2.053 1.00 51.25 H new ATOM 0 HB3 SER A 45 -13.392 -4.284 -1.827 1.00 51.25 H new ATOM 0 HG SER A 45 -15.363 -4.294 -0.604 1.00 14.35 H new ATOM 721 N GLN A 46 -12.571 -3.138 1.556 1.00 23.12 N ATOM 722 CA GLN A 46 -12.090 -3.752 2.803 1.00 11.03 C ATOM 723 C GLN A 46 -11.887 -5.270 2.654 1.00 63.22 C ATOM 724 O GLN A 46 -10.931 -5.832 3.191 1.00 33.11 O ATOM 725 CB GLN A 46 -13.076 -3.465 3.942 1.00 13.03 C ATOM 726 CG GLN A 46 -12.714 -4.134 5.264 1.00 15.23 C ATOM 727 CD GLN A 46 -13.676 -3.773 6.381 1.00 73.00 C ATOM 728 OE1 GLN A 46 -13.472 -2.808 7.109 1.00 43.14 O ATOM 729 NE2 GLN A 46 -14.738 -4.542 6.526 1.00 55.10 N ATOM 0 H GLN A 46 -13.429 -2.597 1.665 1.00 23.12 H new ATOM 0 HA GLN A 46 -11.121 -3.310 3.036 1.00 11.03 H new ATOM 0 HB2 GLN A 46 -13.132 -2.387 4.096 1.00 13.03 H new ATOM 0 HB3 GLN A 46 -14.070 -3.796 3.640 1.00 13.03 H new ATOM 0 HG2 GLN A 46 -12.707 -5.216 5.130 1.00 15.23 H new ATOM 0 HG3 GLN A 46 -11.704 -3.842 5.551 1.00 15.23 H new ATOM 0 HE21 GLN A 46 -14.880 -5.338 5.904 1.00 55.10 H new ATOM 0 HE22 GLN A 46 -15.417 -4.341 7.260 1.00 55.10 H new ATOM 738 N SER A 47 -12.783 -5.924 1.916 1.00 33.50 N ATOM 739 CA SER A 47 -12.666 -7.369 1.654 1.00 62.13 C ATOM 740 C SER A 47 -11.345 -7.705 0.949 1.00 41.13 C ATOM 741 O SER A 47 -10.760 -8.764 1.171 1.00 33.51 O ATOM 742 CB SER A 47 -13.843 -7.861 0.802 1.00 10.32 C ATOM 743 OG SER A 47 -15.074 -7.675 1.479 1.00 20.32 O ATOM 0 H SER A 47 -13.597 -5.484 1.488 1.00 33.50 H new ATOM 0 HA SER A 47 -12.682 -7.877 2.618 1.00 62.13 H new ATOM 0 HB2 SER A 47 -13.860 -7.323 -0.146 1.00 10.32 H new ATOM 0 HB3 SER A 47 -13.710 -8.917 0.566 1.00 10.32 H new ATOM 0 HG SER A 47 -15.809 -7.995 0.915 1.00 20.32 H new ATOM 749 N MET A 48 -10.877 -6.780 0.110 1.00 53.21 N ATOM 750 CA MET A 48 -9.607 -6.942 -0.610 1.00 21.53 C ATOM 751 C MET A 48 -8.406 -6.611 0.292 1.00 75.11 C ATOM 752 O MET A 48 -7.251 -6.784 -0.100 1.00 73.33 O ATOM 753 CB MET A 48 -9.587 -6.033 -1.848 1.00 14.35 C ATOM 754 CG MET A 48 -10.689 -6.330 -2.856 1.00 11.35 C ATOM 755 SD MET A 48 -10.690 -5.161 -4.229 1.00 24.31 S ATOM 756 CE MET A 48 -12.020 -5.822 -5.234 1.00 63.54 C ATOM 0 H MET A 48 -11.360 -5.904 -0.090 1.00 53.21 H new ATOM 0 HA MET A 48 -9.527 -7.985 -0.918 1.00 21.53 H new ATOM 0 HB2 MET A 48 -9.675 -4.996 -1.525 1.00 14.35 H new ATOM 0 HB3 MET A 48 -8.621 -6.132 -2.343 1.00 14.35 H new ATOM 0 HG2 MET A 48 -10.563 -7.341 -3.242 1.00 11.35 H new ATOM 0 HG3 MET A 48 -11.656 -6.299 -2.354 1.00 11.35 H new ATOM 0 HE1 MET A 48 -12.144 -5.205 -6.124 1.00 63.54 H new ATOM 0 HE2 MET A 48 -11.779 -6.843 -5.531 1.00 63.54 H new ATOM 0 HE3 MET A 48 -12.946 -5.820 -4.659 1.00 63.54 H new ATOM 766 N ILE A 49 -8.683 -6.097 1.487 1.00 32.35 N ATOM 767 CA ILE A 49 -7.634 -5.755 2.452 1.00 31.11 C ATOM 768 C ILE A 49 -7.518 -6.824 3.554 1.00 5.05 C ATOM 769 O ILE A 49 -6.516 -7.533 3.638 1.00 72.11 O ATOM 770 CB ILE A 49 -7.912 -4.376 3.106 1.00 1.12 C ATOM 771 CG1 ILE A 49 -8.120 -3.301 2.027 1.00 21.53 C ATOM 772 CG2 ILE A 49 -6.770 -3.982 4.044 1.00 61.55 C ATOM 773 CD1 ILE A 49 -8.547 -1.955 2.576 1.00 41.25 C ATOM 0 H ILE A 49 -9.630 -5.906 1.815 1.00 32.35 H new ATOM 0 HA ILE A 49 -6.694 -5.711 1.902 1.00 31.11 H new ATOM 0 HB ILE A 49 -8.825 -4.455 3.696 1.00 1.12 H new ATOM 0 HG12 ILE A 49 -7.192 -3.177 1.468 1.00 21.53 H new ATOM 0 HG13 ILE A 49 -8.873 -3.650 1.321 1.00 21.53 H new ATOM 0 HG21 ILE A 49 -6.985 -3.012 4.492 1.00 61.55 H new ATOM 0 HG22 ILE A 49 -6.670 -4.730 4.830 1.00 61.55 H new ATOM 0 HG23 ILE A 49 -5.840 -3.922 3.479 1.00 61.55 H new ATOM 0 HD11 ILE A 49 -8.673 -1.250 1.754 1.00 41.25 H new ATOM 0 HD12 ILE A 49 -9.491 -2.063 3.110 1.00 41.25 H new ATOM 0 HD13 ILE A 49 -7.784 -1.582 3.260 1.00 41.25 H new ATOM 785 N SER A 50 -8.565 -6.945 4.374 1.00 21.34 N ATOM 786 CA SER A 50 -8.573 -7.867 5.527 1.00 35.43 C ATOM 787 C SER A 50 -8.220 -9.307 5.125 1.00 23.41 C ATOM 788 O SER A 50 -7.339 -9.932 5.718 1.00 71.34 O ATOM 789 CB SER A 50 -9.953 -7.859 6.200 1.00 41.13 C ATOM 790 OG SER A 50 -10.346 -6.546 6.568 1.00 4.41 O ATOM 0 H SER A 50 -9.429 -6.413 4.264 1.00 21.34 H new ATOM 0 HA SER A 50 -7.811 -7.514 6.221 1.00 35.43 H new ATOM 0 HB2 SER A 50 -10.692 -8.284 5.521 1.00 41.13 H new ATOM 0 HB3 SER A 50 -9.931 -8.495 7.085 1.00 41.13 H new ATOM 0 HG SER A 50 -11.229 -6.576 6.992 1.00 4.41 H new ATOM 796 N SER A 51 -8.907 -9.825 4.109 1.00 62.22 N ATOM 797 CA SER A 51 -8.730 -11.221 3.673 1.00 34.03 C ATOM 798 C SER A 51 -7.266 -11.541 3.328 1.00 23.40 C ATOM 799 O SER A 51 -6.806 -12.664 3.538 1.00 62.12 O ATOM 800 CB SER A 51 -9.620 -11.521 2.460 1.00 63.53 C ATOM 801 OG SER A 51 -10.986 -11.248 2.740 1.00 22.32 O ATOM 0 H SER A 51 -9.595 -9.302 3.567 1.00 62.22 H new ATOM 0 HA SER A 51 -9.023 -11.854 4.510 1.00 34.03 H new ATOM 0 HB2 SER A 51 -9.294 -10.921 1.610 1.00 63.53 H new ATOM 0 HB3 SER A 51 -9.507 -12.567 2.174 1.00 63.53 H new ATOM 0 HG SER A 51 -11.248 -10.411 2.304 1.00 22.32 H new ATOM 807 N ILE A 52 -6.538 -10.552 2.809 1.00 43.41 N ATOM 808 CA ILE A 52 -5.133 -10.743 2.415 1.00 60.00 C ATOM 809 C ILE A 52 -4.168 -10.447 3.577 1.00 3.51 C ATOM 810 O ILE A 52 -3.232 -11.208 3.834 1.00 3.40 O ATOM 811 CB ILE A 52 -4.764 -9.853 1.197 1.00 31.41 C ATOM 812 CG1 ILE A 52 -5.679 -10.181 0.004 1.00 43.15 C ATOM 813 CG2 ILE A 52 -3.289 -10.025 0.818 1.00 73.41 C ATOM 814 CD1 ILE A 52 -5.373 -9.382 -1.248 1.00 1.15 C ATOM 0 H ILE A 52 -6.893 -9.609 2.650 1.00 43.41 H new ATOM 0 HA ILE A 52 -5.027 -11.791 2.136 1.00 60.00 H new ATOM 0 HB ILE A 52 -4.915 -8.810 1.474 1.00 31.41 H new ATOM 0 HG12 ILE A 52 -5.593 -11.243 -0.225 1.00 43.15 H new ATOM 0 HG13 ILE A 52 -6.714 -10.001 0.293 1.00 43.15 H new ATOM 0 HG21 ILE A 52 -3.057 -9.391 -0.038 1.00 73.41 H new ATOM 0 HG22 ILE A 52 -2.661 -9.740 1.662 1.00 73.41 H new ATOM 0 HG23 ILE A 52 -3.099 -11.067 0.560 1.00 73.41 H new ATOM 0 HD11 ILE A 52 -6.061 -9.672 -2.042 1.00 1.15 H new ATOM 0 HD12 ILE A 52 -5.488 -8.319 -1.038 1.00 1.15 H new ATOM 0 HD13 ILE A 52 -4.349 -9.580 -1.565 1.00 1.15 H new ATOM 826 N VAL A 53 -4.394 -9.335 4.275 1.00 33.31 N ATOM 827 CA VAL A 53 -3.565 -8.962 5.427 1.00 22.42 C ATOM 828 C VAL A 53 -3.685 -10.004 6.554 1.00 74.41 C ATOM 829 O VAL A 53 -2.693 -10.614 6.960 1.00 14.31 O ATOM 830 CB VAL A 53 -3.946 -7.558 5.973 1.00 10.30 C ATOM 831 CG1 VAL A 53 -3.112 -7.201 7.206 1.00 74.13 C ATOM 832 CG2 VAL A 53 -3.781 -6.496 4.884 1.00 11.54 C ATOM 0 H VAL A 53 -5.143 -8.675 4.065 1.00 33.31 H new ATOM 0 HA VAL A 53 -2.532 -8.930 5.080 1.00 22.42 H new ATOM 0 HB VAL A 53 -4.993 -7.586 6.274 1.00 10.30 H new ATOM 0 HG11 VAL A 53 -3.400 -6.213 7.567 1.00 74.13 H new ATOM 0 HG12 VAL A 53 -3.287 -7.938 7.989 1.00 74.13 H new ATOM 0 HG13 VAL A 53 -2.055 -7.196 6.941 1.00 74.13 H new ATOM 0 HG21 VAL A 53 -4.052 -5.519 5.284 1.00 11.54 H new ATOM 0 HG22 VAL A 53 -2.744 -6.476 4.550 1.00 11.54 H new ATOM 0 HG23 VAL A 53 -4.429 -6.735 4.041 1.00 11.54 H new ATOM 842 N ASN A 54 -4.910 -10.209 7.036 1.00 42.22 N ATOM 843 CA ASN A 54 -5.187 -11.210 8.073 1.00 33.44 C ATOM 844 C ASN A 54 -4.952 -12.635 7.544 1.00 23.21 C ATOM 845 O ASN A 54 -4.694 -13.559 8.312 1.00 72.24 O ATOM 846 CB ASN A 54 -6.630 -11.067 8.579 1.00 2.43 C ATOM 847 CG ASN A 54 -6.936 -9.664 9.089 1.00 30.42 C ATOM 848 OD1 ASN A 54 -6.366 -8.678 8.631 1.00 21.35 O ATOM 849 ND2 ASN A 54 -7.840 -9.560 10.036 1.00 52.43 N ATOM 0 H ASN A 54 -5.733 -9.693 6.725 1.00 42.22 H new ATOM 0 HA ASN A 54 -4.500 -11.036 8.901 1.00 33.44 H new ATOM 0 HB2 ASN A 54 -7.320 -11.315 7.773 1.00 2.43 H new ATOM 0 HB3 ASN A 54 -6.803 -11.786 9.379 1.00 2.43 H new ATOM 0 HD21 ASN A 54 -8.084 -8.643 10.409 1.00 52.43 H new ATOM 0 HD22 ASN A 54 -8.298 -10.396 10.398 1.00 52.43 H new ATOM 856 N SER A 55 -5.077 -12.796 6.221 1.00 24.12 N ATOM 857 CA SER A 55 -4.752 -14.059 5.517 1.00 4.12 C ATOM 858 C SER A 55 -5.768 -15.186 5.775 1.00 60.43 C ATOM 859 O SER A 55 -5.733 -16.215 5.101 1.00 61.44 O ATOM 860 CB SER A 55 -3.337 -14.548 5.874 1.00 73.13 C ATOM 861 OG SER A 55 -2.973 -15.690 5.102 1.00 20.33 O ATOM 0 H SER A 55 -5.407 -12.057 5.600 1.00 24.12 H new ATOM 0 HA SER A 55 -4.801 -13.819 4.455 1.00 4.12 H new ATOM 0 HB2 SER A 55 -2.619 -13.746 5.702 1.00 73.13 H new ATOM 0 HB3 SER A 55 -3.292 -14.794 6.935 1.00 73.13 H new ATOM 0 HG SER A 55 -3.781 -16.175 4.835 1.00 20.33 H new ATOM 867 N THR A 56 -6.669 -14.994 6.736 1.00 42.23 N ATOM 868 CA THR A 56 -7.684 -16.011 7.070 1.00 72.51 C ATOM 869 C THR A 56 -8.505 -16.457 5.846 1.00 14.41 C ATOM 870 O THR A 56 -8.702 -17.653 5.615 1.00 63.23 O ATOM 871 CB THR A 56 -8.654 -15.502 8.168 1.00 33.40 C ATOM 872 OG1 THR A 56 -9.725 -16.440 8.362 1.00 62.33 O ATOM 873 CG2 THR A 56 -9.226 -14.128 7.818 1.00 64.45 C ATOM 0 H THR A 56 -6.723 -14.147 7.301 1.00 42.23 H new ATOM 0 HA THR A 56 -7.128 -16.872 7.441 1.00 72.51 H new ATOM 0 HB THR A 56 -8.084 -15.407 9.092 1.00 33.40 H new ATOM 0 HG1 THR A 56 -10.329 -16.107 9.058 1.00 62.33 H new ATOM 0 HG21 THR A 56 -9.901 -13.803 8.609 1.00 64.45 H new ATOM 0 HG22 THR A 56 -8.412 -13.410 7.717 1.00 64.45 H new ATOM 0 HG23 THR A 56 -9.773 -14.190 6.877 1.00 64.45 H new ATOM 881 N TYR A 57 -8.967 -15.490 5.055 1.00 34.30 N ATOM 882 CA TYR A 57 -9.798 -15.779 3.877 1.00 20.23 C ATOM 883 C TYR A 57 -9.008 -15.525 2.578 1.00 12.11 C ATOM 884 O TYR A 57 -9.578 -15.216 1.532 1.00 60.53 O ATOM 885 CB TYR A 57 -11.071 -14.915 3.923 1.00 23.15 C ATOM 886 CG TYR A 57 -12.205 -15.419 3.039 1.00 62.14 C ATOM 887 CD1 TYR A 57 -12.975 -16.511 3.427 1.00 53.22 C ATOM 888 CD2 TYR A 57 -12.508 -14.807 1.823 1.00 62.43 C ATOM 889 CE1 TYR A 57 -14.006 -16.977 2.634 1.00 33.21 C ATOM 890 CE2 TYR A 57 -13.540 -15.269 1.029 1.00 0.34 C ATOM 891 CZ TYR A 57 -14.285 -16.354 1.436 1.00 53.41 C ATOM 892 OH TYR A 57 -15.318 -16.814 0.647 1.00 5.54 O ATOM 0 H TYR A 57 -8.782 -14.498 5.205 1.00 34.30 H new ATOM 0 HA TYR A 57 -10.084 -16.831 3.890 1.00 20.23 H new ATOM 0 HB2 TYR A 57 -11.424 -14.864 4.953 1.00 23.15 H new ATOM 0 HB3 TYR A 57 -10.817 -13.898 3.623 1.00 23.15 H new ATOM 0 HD1 TYR A 57 -12.763 -17.003 4.365 1.00 53.22 H new ATOM 0 HD2 TYR A 57 -11.926 -13.958 1.497 1.00 62.43 H new ATOM 0 HE1 TYR A 57 -14.592 -17.827 2.952 1.00 33.21 H new ATOM 0 HE2 TYR A 57 -13.762 -14.781 0.092 1.00 0.34 H new ATOM 0 HH TYR A 57 -15.382 -16.264 -0.162 1.00 5.54 H new ATOM 902 N TYR A 58 -7.686 -15.674 2.649 1.00 52.21 N ATOM 903 CA TYR A 58 -6.822 -15.458 1.485 1.00 3.34 C ATOM 904 C TYR A 58 -7.050 -16.525 0.400 1.00 33.14 C ATOM 905 O TYR A 58 -6.594 -17.663 0.522 1.00 64.13 O ATOM 906 CB TYR A 58 -5.344 -15.443 1.906 1.00 54.32 C ATOM 907 CG TYR A 58 -4.375 -15.392 0.735 1.00 61.25 C ATOM 908 CD1 TYR A 58 -4.255 -14.250 -0.049 1.00 11.12 C ATOM 909 CD2 TYR A 58 -3.584 -16.493 0.408 1.00 44.34 C ATOM 910 CE1 TYR A 58 -3.383 -14.206 -1.120 1.00 2.12 C ATOM 911 CE2 TYR A 58 -2.708 -16.453 -0.659 1.00 63.30 C ATOM 912 CZ TYR A 58 -2.613 -15.310 -1.422 1.00 3.15 C ATOM 913 OH TYR A 58 -1.745 -15.267 -2.493 1.00 72.02 O ATOM 0 H TYR A 58 -7.189 -15.943 3.498 1.00 52.21 H new ATOM 0 HA TYR A 58 -7.083 -14.488 1.061 1.00 3.34 H new ATOM 0 HB2 TYR A 58 -5.168 -14.581 2.550 1.00 54.32 H new ATOM 0 HB3 TYR A 58 -5.136 -16.333 2.500 1.00 54.32 H new ATOM 0 HD1 TYR A 58 -4.854 -13.382 0.183 1.00 11.12 H new ATOM 0 HD2 TYR A 58 -3.658 -17.393 1.000 1.00 44.34 H new ATOM 0 HE1 TYR A 58 -3.305 -13.310 -1.719 1.00 2.12 H new ATOM 0 HE2 TYR A 58 -2.100 -17.314 -0.894 1.00 63.30 H new ATOM 0 HH TYR A 58 -1.277 -16.125 -2.569 1.00 72.02 H new ATOM 923 N ALA A 59 -7.778 -16.154 -0.649 1.00 44.33 N ATOM 924 CA ALA A 59 -7.966 -17.031 -1.808 1.00 63.31 C ATOM 925 C ALA A 59 -6.758 -16.955 -2.756 1.00 42.43 C ATOM 926 O ALA A 59 -5.967 -17.897 -2.852 1.00 50.12 O ATOM 927 CB ALA A 59 -9.252 -16.670 -2.544 1.00 41.24 C ATOM 0 H ALA A 59 -8.249 -15.252 -0.724 1.00 44.33 H new ATOM 0 HA ALA A 59 -8.048 -18.057 -1.450 1.00 63.31 H new ATOM 0 HB1 ALA A 59 -9.378 -17.330 -3.402 1.00 41.24 H new ATOM 0 HB2 ALA A 59 -10.101 -16.785 -1.870 1.00 41.24 H new ATOM 0 HB3 ALA A 59 -9.198 -15.637 -2.886 1.00 41.24 H new ATOM 933 N ASN A 60 -6.615 -15.824 -3.447 1.00 43.31 N ATOM 934 CA ASN A 60 -5.495 -15.611 -4.372 1.00 21.45 C ATOM 935 C ASN A 60 -5.243 -14.108 -4.591 1.00 41.41 C ATOM 936 O ASN A 60 -6.158 -13.364 -4.956 1.00 54.33 O ATOM 937 CB ASN A 60 -5.784 -16.299 -5.715 1.00 3.35 C ATOM 938 CG ASN A 60 -4.592 -16.267 -6.657 1.00 34.22 C ATOM 939 OD1 ASN A 60 -4.413 -15.327 -7.423 1.00 61.41 O ATOM 940 ND2 ASN A 60 -3.773 -17.297 -6.614 1.00 14.20 N ATOM 0 H ASN A 60 -7.261 -15.037 -3.385 1.00 43.31 H new ATOM 0 HA ASN A 60 -4.598 -16.048 -3.932 1.00 21.45 H new ATOM 0 HB2 ASN A 60 -6.071 -17.335 -5.534 1.00 3.35 H new ATOM 0 HB3 ASN A 60 -6.633 -15.811 -6.193 1.00 3.35 H new ATOM 0 HD21 ASN A 60 -2.961 -17.329 -7.230 1.00 14.20 H new ATOM 0 HD22 ASN A 60 -3.951 -18.063 -5.965 1.00 14.20 H new ATOM 947 N VAL A 61 -4.008 -13.661 -4.357 1.00 32.04 N ATOM 948 CA VAL A 61 -3.656 -12.251 -4.561 1.00 12.43 C ATOM 949 C VAL A 61 -3.667 -11.884 -6.059 1.00 14.00 C ATOM 950 O VAL A 61 -2.784 -12.270 -6.828 1.00 13.44 O ATOM 951 CB VAL A 61 -2.283 -11.904 -3.916 1.00 74.43 C ATOM 952 CG1 VAL A 61 -1.152 -12.754 -4.496 1.00 14.14 C ATOM 953 CG2 VAL A 61 -1.980 -10.410 -4.054 1.00 53.14 C ATOM 0 H VAL A 61 -3.240 -14.247 -4.029 1.00 32.04 H new ATOM 0 HA VAL A 61 -4.417 -11.652 -4.061 1.00 12.43 H new ATOM 0 HB VAL A 61 -2.349 -12.141 -2.854 1.00 74.43 H new ATOM 0 HG11 VAL A 61 -0.210 -12.481 -4.019 1.00 14.14 H new ATOM 0 HG12 VAL A 61 -1.359 -13.808 -4.313 1.00 14.14 H new ATOM 0 HG13 VAL A 61 -1.079 -12.579 -5.569 1.00 14.14 H new ATOM 0 HG21 VAL A 61 -1.016 -10.191 -3.596 1.00 53.14 H new ATOM 0 HG22 VAL A 61 -1.950 -10.141 -5.110 1.00 53.14 H new ATOM 0 HG23 VAL A 61 -2.758 -9.833 -3.554 1.00 53.14 H new ATOM 963 N SER A 62 -4.696 -11.143 -6.468 1.00 70.35 N ATOM 964 CA SER A 62 -4.907 -10.818 -7.887 1.00 14.44 C ATOM 965 C SER A 62 -4.100 -9.588 -8.343 1.00 74.33 C ATOM 966 O SER A 62 -3.489 -8.884 -7.536 1.00 21.32 O ATOM 967 CB SER A 62 -6.401 -10.607 -8.167 1.00 1.12 C ATOM 968 OG SER A 62 -7.139 -11.812 -7.990 1.00 0.51 O ATOM 0 H SER A 62 -5.400 -10.754 -5.840 1.00 70.35 H new ATOM 0 HA SER A 62 -4.543 -11.668 -8.465 1.00 14.44 H new ATOM 0 HB2 SER A 62 -6.792 -9.838 -7.501 1.00 1.12 H new ATOM 0 HB3 SER A 62 -6.534 -10.244 -9.186 1.00 1.12 H new ATOM 0 HG SER A 62 -8.087 -11.645 -8.174 1.00 0.51 H new ATOM 974 N ALA A 63 -4.118 -9.343 -9.654 1.00 70.55 N ATOM 975 CA ALA A 63 -3.324 -8.278 -10.282 1.00 15.20 C ATOM 976 C ALA A 63 -3.751 -6.864 -9.850 1.00 40.32 C ATOM 977 O ALA A 63 -2.933 -6.084 -9.359 1.00 11.15 O ATOM 978 CB ALA A 63 -3.414 -8.406 -11.799 1.00 2.03 C ATOM 0 H ALA A 63 -4.684 -9.877 -10.314 1.00 70.55 H new ATOM 0 HA ALA A 63 -2.295 -8.407 -9.946 1.00 15.20 H new ATOM 0 HB1 ALA A 63 -2.825 -7.617 -12.266 1.00 2.03 H new ATOM 0 HB2 ALA A 63 -3.026 -9.377 -12.106 1.00 2.03 H new ATOM 0 HB3 ALA A 63 -4.455 -8.316 -12.111 1.00 2.03 H new ATOM 984 N ALA A 64 -5.034 -6.537 -10.043 1.00 13.23 N ATOM 985 CA ALA A 64 -5.559 -5.194 -9.746 1.00 65.44 C ATOM 986 C ALA A 64 -5.261 -4.762 -8.303 1.00 64.04 C ATOM 987 O ALA A 64 -5.036 -3.583 -8.036 1.00 54.53 O ATOM 988 CB ALA A 64 -7.060 -5.134 -10.019 1.00 1.00 C ATOM 0 H ALA A 64 -5.733 -7.186 -10.405 1.00 13.23 H new ATOM 0 HA ALA A 64 -5.048 -4.494 -10.407 1.00 65.44 H new ATOM 0 HB1 ALA A 64 -7.431 -4.134 -9.794 1.00 1.00 H new ATOM 0 HB2 ALA A 64 -7.249 -5.364 -11.068 1.00 1.00 H new ATOM 0 HB3 ALA A 64 -7.574 -5.861 -9.390 1.00 1.00 H new ATOM 994 N LYS A 65 -5.248 -5.725 -7.383 1.00 40.34 N ATOM 995 CA LYS A 65 -4.888 -5.463 -5.986 1.00 31.53 C ATOM 996 C LYS A 65 -3.564 -4.684 -5.882 1.00 24.01 C ATOM 997 O LYS A 65 -3.406 -3.810 -5.027 1.00 42.03 O ATOM 998 CB LYS A 65 -4.780 -6.786 -5.213 1.00 3.04 C ATOM 999 CG LYS A 65 -4.372 -6.615 -3.753 1.00 24.34 C ATOM 1000 CD LYS A 65 -5.386 -5.777 -2.978 1.00 35.34 C ATOM 1001 CE LYS A 65 -4.899 -5.453 -1.574 1.00 55.43 C ATOM 1002 NZ LYS A 65 -5.887 -4.629 -0.827 1.00 53.32 N ATOM 0 H LYS A 65 -5.483 -6.698 -7.579 1.00 40.34 H new ATOM 0 HA LYS A 65 -5.675 -4.849 -5.547 1.00 31.53 H new ATOM 0 HB2 LYS A 65 -5.741 -7.299 -5.254 1.00 3.04 H new ATOM 0 HB3 LYS A 65 -4.054 -7.428 -5.711 1.00 3.04 H new ATOM 0 HG2 LYS A 65 -4.276 -7.595 -3.285 1.00 24.34 H new ATOM 0 HG3 LYS A 65 -3.392 -6.140 -3.702 1.00 24.34 H new ATOM 0 HD2 LYS A 65 -5.579 -4.850 -3.518 1.00 35.34 H new ATOM 0 HD3 LYS A 65 -6.332 -6.315 -2.919 1.00 35.34 H new ATOM 0 HE2 LYS A 65 -4.712 -6.379 -1.031 1.00 55.43 H new ATOM 0 HE3 LYS A 65 -3.950 -4.920 -1.632 1.00 55.43 H new ATOM 0 HZ1 LYS A 65 -5.389 -3.884 -0.299 1.00 53.32 H new ATOM 0 HZ2 LYS A 65 -6.553 -4.193 -1.497 1.00 53.32 H new ATOM 0 HZ3 LYS A 65 -6.411 -5.233 -0.162 1.00 53.32 H new ATOM 1016 N CYS A 66 -2.619 -5.010 -6.760 1.00 73.30 N ATOM 1017 CA CYS A 66 -1.322 -4.323 -6.799 1.00 11.32 C ATOM 1018 C CYS A 66 -1.308 -3.196 -7.840 1.00 42.22 C ATOM 1019 O CYS A 66 -0.904 -2.070 -7.548 1.00 34.34 O ATOM 1020 CB CYS A 66 -0.202 -5.319 -7.118 1.00 21.22 C ATOM 1021 SG CYS A 66 1.425 -4.555 -7.347 1.00 73.12 S ATOM 0 H CYS A 66 -2.723 -5.747 -7.457 1.00 73.30 H new ATOM 0 HA CYS A 66 -1.158 -3.884 -5.815 1.00 11.32 H new ATOM 0 HB2 CYS A 66 -0.138 -6.049 -6.311 1.00 21.22 H new ATOM 0 HB3 CYS A 66 -0.465 -5.867 -8.023 1.00 21.22 H new ATOM 0 HG CYS A 66 2.318 -5.482 -7.531 1.00 73.12 H new ATOM 1027 N GLN A 67 -1.754 -3.512 -9.054 1.00 24.23 N ATOM 1028 CA GLN A 67 -1.710 -2.570 -10.181 1.00 44.40 C ATOM 1029 C GLN A 67 -2.544 -1.298 -9.927 1.00 52.23 C ATOM 1030 O GLN A 67 -2.123 -0.195 -10.281 1.00 63.32 O ATOM 1031 CB GLN A 67 -2.183 -3.272 -11.464 1.00 51.52 C ATOM 1032 CG GLN A 67 -1.257 -4.401 -11.913 1.00 22.22 C ATOM 1033 CD GLN A 67 -1.767 -5.145 -13.136 1.00 72.00 C ATOM 1034 OE1 GLN A 67 -1.395 -6.403 -13.259 1.00 72.34 O flip ATOM 1035 NE2 GLN A 67 -2.480 -4.597 -13.971 1.00 2.32 N flip ATOM 0 H GLN A 67 -2.154 -4.421 -9.288 1.00 24.23 H new ATOM 0 HA GLN A 67 -0.675 -2.248 -10.295 1.00 44.40 H new ATOM 0 HB2 GLN A 67 -3.183 -3.675 -11.302 1.00 51.52 H new ATOM 0 HB3 GLN A 67 -2.262 -2.536 -12.264 1.00 51.52 H new ATOM 0 HG2 GLN A 67 -0.272 -3.989 -12.132 1.00 22.22 H new ATOM 0 HG3 GLN A 67 -1.132 -5.107 -11.092 1.00 22.22 H new ATOM 0 HE21 GLN A 67 -2.752 -3.622 -13.848 1.00 2.32 H new ATOM 0 HE22 GLN A 67 -2.801 -5.117 -14.788 1.00 2.32 H new ATOM 1044 N GLU A 68 -3.719 -1.450 -9.317 1.00 4.23 N ATOM 1045 CA GLU A 68 -4.600 -0.305 -9.046 1.00 3.30 C ATOM 1046 C GLU A 68 -4.055 0.561 -7.895 1.00 13.24 C ATOM 1047 O GLU A 68 -4.005 1.791 -7.995 1.00 73.03 O ATOM 1048 CB GLU A 68 -6.026 -0.789 -8.727 1.00 52.33 C ATOM 1049 CG GLU A 68 -7.056 0.333 -8.618 1.00 75.45 C ATOM 1050 CD GLU A 68 -7.157 1.155 -9.895 1.00 34.25 C ATOM 1051 OE1 GLU A 68 -7.836 0.711 -10.845 1.00 12.44 O ATOM 1052 OE2 GLU A 68 -6.539 2.234 -9.967 1.00 33.10 O ATOM 0 H GLU A 68 -4.085 -2.348 -9.001 1.00 4.23 H new ATOM 0 HA GLU A 68 -4.631 0.313 -9.943 1.00 3.30 H new ATOM 0 HB2 GLU A 68 -6.344 -1.485 -9.503 1.00 52.33 H new ATOM 0 HB3 GLU A 68 -6.008 -1.344 -7.789 1.00 52.33 H new ATOM 0 HG2 GLU A 68 -8.032 -0.094 -8.386 1.00 75.45 H new ATOM 0 HG3 GLU A 68 -6.790 0.988 -7.788 1.00 75.45 H new ATOM 1059 N PHE A 69 -3.631 -0.090 -6.810 1.00 22.13 N ATOM 1060 CA PHE A 69 -3.036 0.616 -5.668 1.00 74.24 C ATOM 1061 C PHE A 69 -1.772 1.375 -6.102 1.00 12.21 C ATOM 1062 O PHE A 69 -1.557 2.523 -5.706 1.00 21.02 O ATOM 1063 CB PHE A 69 -2.698 -0.377 -4.544 1.00 73.30 C ATOM 1064 CG PHE A 69 -2.181 0.279 -3.284 1.00 52.45 C ATOM 1065 CD1 PHE A 69 -3.060 0.841 -2.368 1.00 32.43 C ATOM 1066 CD2 PHE A 69 -0.819 0.337 -3.017 1.00 52.42 C ATOM 1067 CE1 PHE A 69 -2.593 1.444 -1.216 1.00 25.33 C ATOM 1068 CE2 PHE A 69 -0.346 0.940 -1.865 1.00 50.44 C ATOM 1069 CZ PHE A 69 -1.234 1.494 -0.964 1.00 61.31 C ATOM 0 H PHE A 69 -3.687 -1.102 -6.696 1.00 22.13 H new ATOM 0 HA PHE A 69 -3.762 1.337 -5.293 1.00 74.24 H new ATOM 0 HB2 PHE A 69 -3.590 -0.954 -4.302 1.00 73.30 H new ATOM 0 HB3 PHE A 69 -1.951 -1.082 -4.908 1.00 73.30 H new ATOM 0 HD1 PHE A 69 -4.123 0.806 -2.558 1.00 32.43 H new ATOM 0 HD2 PHE A 69 -0.120 -0.094 -3.718 1.00 52.42 H new ATOM 0 HE1 PHE A 69 -3.289 1.876 -0.512 1.00 25.33 H new ATOM 0 HE2 PHE A 69 0.716 0.977 -1.671 1.00 50.44 H new ATOM 0 HZ PHE A 69 -0.868 1.966 -0.064 1.00 61.31 H new ATOM 1079 N GLY A 70 -0.943 0.724 -6.924 1.00 61.11 N ATOM 1080 CA GLY A 70 0.242 1.376 -7.473 1.00 1.14 C ATOM 1081 C GLY A 70 -0.101 2.597 -8.317 1.00 22.50 C ATOM 1082 O GLY A 70 0.504 3.659 -8.161 1.00 43.11 O ATOM 0 H GLY A 70 -1.071 -0.244 -7.219 1.00 61.11 H new ATOM 0 HA2 GLY A 70 0.899 1.676 -6.656 1.00 1.14 H new ATOM 0 HA3 GLY A 70 0.796 0.662 -8.082 1.00 1.14 H new ATOM 1086 N ARG A 71 -1.089 2.447 -9.201 1.00 70.31 N ATOM 1087 CA ARG A 71 -1.560 3.554 -10.043 1.00 63.32 C ATOM 1088 C ARG A 71 -1.950 4.764 -9.176 1.00 73.21 C ATOM 1089 O ARG A 71 -1.575 5.901 -9.466 1.00 11.43 O ATOM 1090 CB ARG A 71 -2.754 3.084 -10.903 1.00 43.31 C ATOM 1091 CG ARG A 71 -3.209 4.074 -11.986 1.00 2.41 C ATOM 1092 CD ARG A 71 -4.133 5.168 -11.447 1.00 12.31 C ATOM 1093 NE ARG A 71 -5.380 4.627 -10.909 1.00 14.24 N ATOM 1094 CZ ARG A 71 -6.497 5.298 -10.828 1.00 31.35 C ATOM 1095 NH1 ARG A 71 -6.567 6.525 -11.229 1.00 62.44 N ATOM 1096 NH2 ARG A 71 -7.552 4.731 -10.343 1.00 4.04 N ATOM 0 H ARG A 71 -1.582 1.567 -9.354 1.00 70.31 H new ATOM 0 HA ARG A 71 -0.753 3.865 -10.706 1.00 63.32 H new ATOM 0 HB2 ARG A 71 -2.487 2.142 -11.383 1.00 43.31 H new ATOM 0 HB3 ARG A 71 -3.597 2.878 -10.244 1.00 43.31 H new ATOM 0 HG2 ARG A 71 -2.332 4.537 -12.438 1.00 2.41 H new ATOM 0 HG3 ARG A 71 -3.724 3.528 -12.776 1.00 2.41 H new ATOM 0 HD2 ARG A 71 -3.615 5.726 -10.667 1.00 12.31 H new ATOM 0 HD3 ARG A 71 -4.361 5.874 -12.246 1.00 12.31 H new ATOM 0 HE ARG A 71 -5.377 3.663 -10.575 1.00 14.24 H new ATOM 0 HH11 ARG A 71 -5.742 6.983 -11.616 1.00 62.44 H new ATOM 0 HH12 ARG A 71 -7.448 7.035 -11.159 1.00 62.44 H new ATOM 0 HH21 ARG A 71 -7.510 3.763 -10.025 1.00 4.04 H new ATOM 0 HH22 ARG A 71 -8.427 5.252 -10.278 1.00 4.04 H new ATOM 1110 N TRP A 72 -2.707 4.505 -8.114 1.00 53.23 N ATOM 1111 CA TRP A 72 -3.081 5.544 -7.150 1.00 70.14 C ATOM 1112 C TRP A 72 -1.835 6.175 -6.501 1.00 20.03 C ATOM 1113 O TRP A 72 -1.688 7.401 -6.458 1.00 33.45 O ATOM 1114 CB TRP A 72 -3.996 4.941 -6.071 1.00 15.31 C ATOM 1115 CG TRP A 72 -4.346 5.893 -4.962 1.00 24.22 C ATOM 1116 CD1 TRP A 72 -5.296 6.875 -4.988 1.00 42.32 C ATOM 1117 CD2 TRP A 72 -3.748 5.948 -3.660 1.00 41.23 C ATOM 1118 NE1 TRP A 72 -5.321 7.537 -3.785 1.00 10.33 N ATOM 1119 CE2 TRP A 72 -4.382 6.988 -2.954 1.00 34.42 C ATOM 1120 CE3 TRP A 72 -2.737 5.219 -3.023 1.00 22.42 C ATOM 1121 CZ2 TRP A 72 -4.039 7.318 -1.646 1.00 73.33 C ATOM 1122 CZ3 TRP A 72 -2.397 5.549 -1.723 1.00 50.52 C ATOM 1123 CH2 TRP A 72 -3.048 6.590 -1.046 1.00 14.31 C ATOM 0 H TRP A 72 -3.077 3.580 -7.895 1.00 53.23 H new ATOM 0 HA TRP A 72 -3.616 6.332 -7.680 1.00 70.14 H new ATOM 0 HB2 TRP A 72 -4.916 4.595 -6.542 1.00 15.31 H new ATOM 0 HB3 TRP A 72 -3.508 4.065 -5.643 1.00 15.31 H new ATOM 0 HD1 TRP A 72 -5.934 7.098 -5.831 1.00 42.32 H new ATOM 0 HE1 TRP A 72 -5.940 8.313 -3.549 1.00 10.33 H new ATOM 0 HE3 TRP A 72 -2.232 4.414 -3.536 1.00 22.42 H new ATOM 0 HZ2 TRP A 72 -4.538 8.121 -1.123 1.00 73.33 H new ATOM 0 HZ3 TRP A 72 -1.617 4.995 -1.221 1.00 50.52 H new ATOM 0 HH2 TRP A 72 -2.762 6.822 -0.031 1.00 14.31 H new ATOM 1134 N TYR A 73 -0.929 5.323 -6.024 1.00 24.35 N ATOM 1135 CA TYR A 73 0.277 5.773 -5.318 1.00 64.20 C ATOM 1136 C TYR A 73 1.183 6.632 -6.230 1.00 13.14 C ATOM 1137 O TYR A 73 1.890 7.524 -5.753 1.00 5.22 O ATOM 1138 CB TYR A 73 1.049 4.561 -4.768 1.00 72.44 C ATOM 1139 CG TYR A 73 1.955 4.887 -3.593 1.00 20.11 C ATOM 1140 CD1 TYR A 73 1.433 5.012 -2.307 1.00 41.12 C ATOM 1141 CD2 TYR A 73 3.326 5.065 -3.760 1.00 35.42 C ATOM 1142 CE1 TYR A 73 2.247 5.303 -1.228 1.00 0.42 C ATOM 1143 CE2 TYR A 73 4.146 5.353 -2.685 1.00 71.14 C ATOM 1144 CZ TYR A 73 3.602 5.469 -1.422 1.00 2.22 C ATOM 1145 OH TYR A 73 4.420 5.757 -0.348 1.00 33.32 O ATOM 0 H TYR A 73 -1.005 4.310 -6.113 1.00 24.35 H new ATOM 0 HA TYR A 73 -0.034 6.403 -4.484 1.00 64.20 H new ATOM 0 HB2 TYR A 73 0.335 3.797 -4.462 1.00 72.44 H new ATOM 0 HB3 TYR A 73 1.651 4.132 -5.569 1.00 72.44 H new ATOM 0 HD1 TYR A 73 0.373 4.879 -2.150 1.00 41.12 H new ATOM 0 HD2 TYR A 73 3.756 4.976 -4.747 1.00 35.42 H new ATOM 0 HE1 TYR A 73 1.824 5.400 -0.239 1.00 0.42 H new ATOM 0 HE2 TYR A 73 5.207 5.487 -2.833 1.00 71.14 H new ATOM 0 HH TYR A 73 5.346 5.842 -0.656 1.00 33.32 H new ATOM 1155 N LYS A 74 1.155 6.359 -7.542 1.00 21.42 N ATOM 1156 CA LYS A 74 1.889 7.177 -8.524 1.00 60.42 C ATOM 1157 C LYS A 74 1.441 8.643 -8.467 1.00 65.04 C ATOM 1158 O LYS A 74 2.258 9.557 -8.326 1.00 11.24 O ATOM 1159 CB LYS A 74 1.685 6.636 -9.952 1.00 51.14 C ATOM 1160 CG LYS A 74 2.249 5.236 -10.171 1.00 44.53 C ATOM 1161 CD LYS A 74 2.032 4.744 -11.599 1.00 51.20 C ATOM 1162 CE LYS A 74 2.771 5.607 -12.619 1.00 50.32 C ATOM 1163 NZ LYS A 74 2.580 5.106 -14.004 1.00 41.22 N ATOM 0 H LYS A 74 0.635 5.582 -7.949 1.00 21.42 H new ATOM 0 HA LYS A 74 2.947 7.120 -8.268 1.00 60.42 H new ATOM 0 HB2 LYS A 74 0.619 6.626 -10.177 1.00 51.14 H new ATOM 0 HB3 LYS A 74 2.154 7.320 -10.659 1.00 51.14 H new ATOM 0 HG2 LYS A 74 3.316 5.237 -9.947 1.00 44.53 H new ATOM 0 HG3 LYS A 74 1.777 4.543 -9.474 1.00 44.53 H new ATOM 0 HD2 LYS A 74 2.372 3.712 -11.683 1.00 51.20 H new ATOM 0 HD3 LYS A 74 0.966 4.747 -11.826 1.00 51.20 H new ATOM 0 HE2 LYS A 74 2.415 6.635 -12.552 1.00 50.32 H new ATOM 0 HE3 LYS A 74 3.835 5.622 -12.381 1.00 50.32 H new ATOM 0 HZ1 LYS A 74 3.096 5.717 -14.669 1.00 41.22 H new ATOM 0 HZ2 LYS A 74 2.942 4.134 -14.075 1.00 41.22 H new ATOM 0 HZ3 LYS A 74 1.567 5.116 -14.240 1.00 41.22 H new ATOM 1177 N HIS A 75 0.131 8.856 -8.556 1.00 43.45 N ATOM 1178 CA HIS A 75 -0.433 10.208 -8.523 1.00 4.21 C ATOM 1179 C HIS A 75 -0.355 10.807 -7.110 1.00 21.43 C ATOM 1180 O HIS A 75 -0.326 12.028 -6.943 1.00 32.33 O ATOM 1181 CB HIS A 75 -1.879 10.193 -9.032 1.00 70.15 C ATOM 1182 CG HIS A 75 -1.995 9.744 -10.464 1.00 42.44 C ATOM 1183 ND1 HIS A 75 -2.137 8.506 -10.998 1.00 64.43 N flip ATOM 1184 CD2 HIS A 75 -1.954 10.610 -11.536 1.00 4.31 C flip ATOM 1185 CE1 HIS A 75 -2.176 8.652 -12.362 1.00 51.11 C flip ATOM 1186 NE2 HIS A 75 -2.065 9.930 -12.659 1.00 11.12 N flip ATOM 0 H HIS A 75 -0.561 8.113 -8.651 1.00 43.45 H new ATOM 0 HA HIS A 75 0.160 10.842 -9.183 1.00 4.21 H new ATOM 0 HB2 HIS A 75 -2.473 9.532 -8.401 1.00 70.15 H new ATOM 0 HB3 HIS A 75 -2.303 11.193 -8.935 1.00 70.15 H new ATOM 0 HD1 HIS A 75 -2.203 7.629 -10.482 1.00 64.43 H new ATOM 0 HD2 HIS A 75 -1.847 11.682 -11.466 1.00 4.31 H new ATOM 0 HE1 HIS A 75 -2.281 7.849 -13.076 1.00 51.11 H new ATOM 1195 N PHE A 76 -0.309 9.939 -6.098 1.00 53.23 N ATOM 1196 CA PHE A 76 -0.101 10.367 -4.709 1.00 75.51 C ATOM 1197 C PHE A 76 1.235 11.117 -4.560 1.00 14.14 C ATOM 1198 O PHE A 76 1.278 12.235 -4.044 1.00 5.13 O ATOM 1199 CB PHE A 76 -0.138 9.151 -3.767 1.00 72.13 C ATOM 1200 CG PHE A 76 0.162 9.480 -2.321 1.00 41.14 C ATOM 1201 CD1 PHE A 76 -0.798 10.077 -1.516 1.00 41.43 C ATOM 1202 CD2 PHE A 76 1.404 9.188 -1.768 1.00 14.13 C ATOM 1203 CE1 PHE A 76 -0.525 10.376 -0.193 1.00 32.23 C ATOM 1204 CE2 PHE A 76 1.678 9.485 -0.447 1.00 12.25 C ATOM 1205 CZ PHE A 76 0.713 10.080 0.342 1.00 73.23 C ATOM 0 H PHE A 76 -0.413 8.931 -6.213 1.00 53.23 H new ATOM 0 HA PHE A 76 -0.907 11.049 -4.437 1.00 75.51 H new ATOM 0 HB2 PHE A 76 -1.123 8.689 -3.826 1.00 72.13 H new ATOM 0 HB3 PHE A 76 0.582 8.412 -4.117 1.00 72.13 H new ATOM 0 HD1 PHE A 76 -1.769 10.311 -1.927 1.00 41.43 H new ATOM 0 HD2 PHE A 76 2.164 8.723 -2.379 1.00 14.13 H new ATOM 0 HE1 PHE A 76 -1.281 10.841 0.422 1.00 32.23 H new ATOM 0 HE2 PHE A 76 2.647 9.252 -0.031 1.00 12.25 H new ATOM 0 HZ PHE A 76 0.926 10.313 1.375 1.00 73.23 H new ATOM 1215 N LYS A 77 2.321 10.501 -5.025 1.00 11.43 N ATOM 1216 CA LYS A 77 3.643 11.142 -4.991 1.00 71.12 C ATOM 1217 C LYS A 77 3.730 12.317 -5.978 1.00 70.03 C ATOM 1218 O LYS A 77 4.536 13.229 -5.798 1.00 4.13 O ATOM 1219 CB LYS A 77 4.756 10.117 -5.264 1.00 60.05 C ATOM 1220 CG LYS A 77 5.094 9.207 -4.075 1.00 4.24 C ATOM 1221 CD LYS A 77 5.961 9.906 -3.014 1.00 14.43 C ATOM 1222 CE LYS A 77 5.169 10.879 -2.137 1.00 22.15 C ATOM 1223 NZ LYS A 77 6.050 11.666 -1.228 1.00 33.51 N ATOM 0 H LYS A 77 2.316 9.564 -5.428 1.00 11.43 H new ATOM 0 HA LYS A 77 3.785 11.545 -3.988 1.00 71.12 H new ATOM 0 HB2 LYS A 77 4.459 9.494 -6.108 1.00 60.05 H new ATOM 0 HB3 LYS A 77 5.658 10.651 -5.564 1.00 60.05 H new ATOM 0 HG2 LYS A 77 4.169 8.864 -3.612 1.00 4.24 H new ATOM 0 HG3 LYS A 77 5.616 8.322 -4.438 1.00 4.24 H new ATOM 0 HD2 LYS A 77 6.427 9.152 -2.380 1.00 14.43 H new ATOM 0 HD3 LYS A 77 6.766 10.447 -3.511 1.00 14.43 H new ATOM 0 HE2 LYS A 77 4.605 11.561 -2.773 1.00 22.15 H new ATOM 0 HE3 LYS A 77 4.443 10.322 -1.544 1.00 22.15 H new ATOM 0 HZ1 LYS A 77 5.480 12.074 -0.460 1.00 33.51 H new ATOM 0 HZ2 LYS A 77 6.779 11.043 -0.825 1.00 33.51 H new ATOM 0 HZ3 LYS A 77 6.507 12.431 -1.764 1.00 33.51 H new ATOM 1237 N LYS A 78 2.905 12.290 -7.023 1.00 11.22 N ATOM 1238 CA LYS A 78 2.798 13.428 -7.946 1.00 15.44 C ATOM 1239 C LYS A 78 1.956 14.569 -7.347 1.00 35.14 C ATOM 1240 O LYS A 78 1.867 15.657 -7.921 1.00 54.35 O ATOM 1241 CB LYS A 78 2.217 12.972 -9.297 1.00 74.42 C ATOM 1242 CG LYS A 78 3.255 12.355 -10.240 1.00 25.43 C ATOM 1243 CD LYS A 78 3.742 13.348 -11.303 1.00 2.15 C ATOM 1244 CE LYS A 78 4.275 14.652 -10.706 1.00 51.05 C ATOM 1245 NZ LYS A 78 5.478 14.437 -9.857 1.00 40.20 N ATOM 0 H LYS A 78 2.303 11.500 -7.254 1.00 11.22 H new ATOM 0 HA LYS A 78 3.803 13.817 -8.111 1.00 15.44 H new ATOM 0 HB2 LYS A 78 1.427 12.243 -9.115 1.00 74.42 H new ATOM 0 HB3 LYS A 78 1.755 13.827 -9.790 1.00 74.42 H new ATOM 0 HG2 LYS A 78 4.107 12.003 -9.658 1.00 25.43 H new ATOM 0 HG3 LYS A 78 2.823 11.483 -10.732 1.00 25.43 H new ATOM 0 HD2 LYS A 78 4.527 12.880 -11.897 1.00 2.15 H new ATOM 0 HD3 LYS A 78 2.921 13.575 -11.983 1.00 2.15 H new ATOM 0 HE2 LYS A 78 4.521 15.343 -11.512 1.00 51.05 H new ATOM 0 HE3 LYS A 78 3.493 15.122 -10.110 1.00 51.05 H new ATOM 0 HZ1 LYS A 78 5.390 14.993 -8.983 1.00 40.20 H new ATOM 0 HZ2 LYS A 78 5.559 13.428 -9.619 1.00 40.20 H new ATOM 0 HZ3 LYS A 78 6.327 14.740 -10.375 1.00 40.20 H new ATOM 1259 N THR A 79 1.323 14.306 -6.206 1.00 50.24 N ATOM 1260 CA THR A 79 0.628 15.349 -5.436 1.00 1.04 C ATOM 1261 C THR A 79 1.518 15.850 -4.289 1.00 70.11 C ATOM 1262 O THR A 79 1.505 17.030 -3.940 1.00 40.44 O ATOM 1263 CB THR A 79 -0.720 14.832 -4.866 1.00 54.23 C ATOM 1264 OG1 THR A 79 -1.584 14.426 -5.941 1.00 12.32 O ATOM 1265 CG2 THR A 79 -1.421 15.897 -4.028 1.00 61.21 C ATOM 0 H THR A 79 1.274 13.377 -5.788 1.00 50.24 H new ATOM 0 HA THR A 79 0.417 16.174 -6.116 1.00 1.04 H new ATOM 0 HB THR A 79 -0.502 13.980 -4.222 1.00 54.23 H new ATOM 0 HG1 THR A 79 -1.242 13.599 -6.341 1.00 12.32 H new ATOM 0 HG21 THR A 79 -2.361 15.499 -3.646 1.00 61.21 H new ATOM 0 HG22 THR A 79 -0.781 16.182 -3.193 1.00 61.21 H new ATOM 0 HG23 THR A 79 -1.622 16.772 -4.646 1.00 61.21 H new ATOM 1273 N LYS A 80 2.294 14.939 -3.707 1.00 41.12 N ATOM 1274 CA LYS A 80 3.284 15.294 -2.682 1.00 35.43 C ATOM 1275 C LYS A 80 4.706 14.967 -3.181 1.00 73.31 C ATOM 1276 O LYS A 80 5.272 13.925 -2.839 1.00 12.33 O ATOM 1277 CB LYS A 80 2.989 14.540 -1.374 1.00 44.24 C ATOM 1278 CG LYS A 80 1.546 14.682 -0.886 1.00 2.23 C ATOM 1279 CD LYS A 80 1.286 13.899 0.406 1.00 45.24 C ATOM 1280 CE LYS A 80 1.691 14.676 1.660 1.00 2.45 C ATOM 1281 NZ LYS A 80 3.125 15.068 1.661 1.00 14.11 N ATOM 0 H LYS A 80 2.259 13.943 -3.926 1.00 41.12 H new ATOM 0 HA LYS A 80 3.220 16.365 -2.488 1.00 35.43 H new ATOM 0 HB2 LYS A 80 3.211 13.483 -1.518 1.00 44.24 H new ATOM 0 HB3 LYS A 80 3.662 14.904 -0.597 1.00 44.24 H new ATOM 0 HG2 LYS A 80 1.324 15.736 -0.720 1.00 2.23 H new ATOM 0 HG3 LYS A 80 0.866 14.332 -1.663 1.00 2.23 H new ATOM 0 HD2 LYS A 80 0.227 13.647 0.466 1.00 45.24 H new ATOM 0 HD3 LYS A 80 1.836 12.959 0.373 1.00 45.24 H new ATOM 0 HE2 LYS A 80 1.075 15.572 1.741 1.00 2.45 H new ATOM 0 HE3 LYS A 80 1.486 14.067 2.540 1.00 2.45 H new ATOM 0 HZ1 LYS A 80 3.445 15.211 2.640 1.00 14.11 H new ATOM 0 HZ2 LYS A 80 3.691 14.316 1.218 1.00 14.11 H new ATOM 0 HZ3 LYS A 80 3.244 15.952 1.125 1.00 14.11 H new ATOM 1295 N ASP A 81 5.260 15.856 -4.011 1.00 42.11 N ATOM 1296 CA ASP A 81 6.558 15.627 -4.666 1.00 72.32 C ATOM 1297 C ASP A 81 7.714 15.526 -3.659 1.00 1.42 C ATOM 1298 O ASP A 81 8.431 14.521 -3.614 1.00 45.45 O ATOM 1299 CB ASP A 81 6.842 16.755 -5.664 1.00 74.42 C ATOM 1300 CG ASP A 81 5.774 16.862 -6.738 1.00 14.34 C ATOM 1301 OD1 ASP A 81 4.781 17.591 -6.525 1.00 20.13 O ATOM 1302 OD2 ASP A 81 5.928 16.219 -7.801 1.00 14.34 O ATOM 0 H ASP A 81 4.828 16.749 -4.249 1.00 42.11 H new ATOM 0 HA ASP A 81 6.493 14.671 -5.186 1.00 72.32 H new ATOM 0 HB2 ASP A 81 6.910 17.702 -5.128 1.00 74.42 H new ATOM 0 HB3 ASP A 81 7.810 16.585 -6.134 1.00 74.42 H new ATOM 1307 N MET A 82 7.896 16.581 -2.868 1.00 4.54 N ATOM 1308 CA MET A 82 8.983 16.645 -1.884 1.00 71.22 C ATOM 1309 C MET A 82 8.900 15.486 -0.875 1.00 31.20 C ATOM 1310 O MET A 82 9.832 14.690 -0.747 1.00 50.35 O ATOM 1311 CB MET A 82 8.938 17.994 -1.148 1.00 71.11 C ATOM 1312 CG MET A 82 10.038 18.179 -0.113 1.00 61.22 C ATOM 1313 SD MET A 82 9.964 19.797 0.682 1.00 11.33 S ATOM 1314 CE MET A 82 11.391 19.711 1.767 1.00 25.35 C ATOM 0 H MET A 82 7.302 17.410 -2.887 1.00 4.54 H new ATOM 0 HA MET A 82 9.929 16.552 -2.417 1.00 71.22 H new ATOM 0 HB2 MET A 82 9.006 18.797 -1.881 1.00 71.11 H new ATOM 0 HB3 MET A 82 7.971 18.094 -0.655 1.00 71.11 H new ATOM 0 HG2 MET A 82 9.956 17.400 0.645 1.00 61.22 H new ATOM 0 HG3 MET A 82 11.009 18.056 -0.592 1.00 61.22 H new ATOM 0 HE1 MET A 82 11.479 20.642 2.327 1.00 25.35 H new ATOM 0 HE2 MET A 82 11.271 18.879 2.461 1.00 25.35 H new ATOM 0 HE3 MET A 82 12.292 19.560 1.172 1.00 25.35 H new ATOM 1324 N MET A 83 7.777 15.401 -0.167 1.00 32.53 N ATOM 1325 CA MET A 83 7.554 14.334 0.822 1.00 30.52 C ATOM 1326 C MET A 83 6.077 14.310 1.255 1.00 30.33 C ATOM 1327 O MET A 83 5.688 15.157 2.093 1.00 37.94 O ATOM 1328 CB MET A 83 8.473 14.539 2.045 1.00 5.55 C ATOM 1329 CG MET A 83 8.584 13.323 2.964 1.00 31.22 C ATOM 1330 SD MET A 83 7.002 12.808 3.667 1.00 54.54 S ATOM 1331 CE MET A 83 7.522 11.427 4.686 1.00 42.41 C ATOM 1332 OXT MET A 83 5.305 13.470 0.735 1.00 37.94 O ATOM 0 H MET A 83 7.001 16.057 -0.256 1.00 32.53 H new ATOM 0 HA MET A 83 7.796 13.375 0.364 1.00 30.52 H new ATOM 0 HB2 MET A 83 9.470 14.806 1.694 1.00 5.55 H new ATOM 0 HB3 MET A 83 8.102 15.384 2.625 1.00 5.55 H new ATOM 0 HG2 MET A 83 9.012 12.492 2.404 1.00 31.22 H new ATOM 0 HG3 MET A 83 9.276 13.551 3.774 1.00 31.22 H new ATOM 0 HE1 MET A 83 6.655 10.999 5.189 1.00 42.41 H new ATOM 0 HE2 MET A 83 7.989 10.668 4.059 1.00 42.41 H new ATOM 0 HE3 MET A 83 8.239 11.774 5.431 1.00 42.41 H new TER 1342 MET A 83