USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 842 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 44:sc= 0.426 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 166:sc= -1.01 (180deg=-2.26!) USER MOD Single : A 26 GLN : amide:sc= -0.0192 X(o=-0.019,f=-0.083) USER MOD Single : A 27 ASN : amide:sc= -0.483 X(o=-0.48,f=-0.18) USER MOD Single : A 29 THR OG1 : rot 136:sc= 0.0706 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.697 X(o=-0.7,f=-0.58) USER MOD Single : A 40 TYR OH : rot 156:sc= -1.15 USER MOD Single : A 42 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.7!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.887 K(o=-0.89,f=-5.4!) USER MOD Single : A 52 GLN : amide:sc= -0.293 K(o=-0.29,f=-1.8!) USER MOD Single : A 53 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.1) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 5:sc= 1.01 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.323 USER MOD Single : A 64 HIS : no HE2:sc= -0.949 K(o=-0.95,f=-3.3!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.575 USER MOD Single : A 67 SER OG : rot -110:sc= -0.156 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.56 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0564) USER MOD Single : A 82 TYR OH : rot -45:sc= 0.0343 USER MOD Single : A 86 ASN : amide:sc= 0.0607 K(o=0.061,f=-1.1) USER MOD Single : A 91 SER OG : rot 180:sc= -0.505 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 150:sc= -0.0859 (180deg=-0.203) USER MOD Single : A 98 GLN : amide:sc= -0.0323 K(o=-0.032,f=-0.92) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.364 -30.592 -4.694 1.00 0.00 N ATOM 2 CA GLY A 1 -8.659 -29.862 -3.654 1.00 0.00 C ATOM 3 C GLY A 1 -7.506 -29.046 -4.243 1.00 0.00 C ATOM 4 O GLY A 1 -6.489 -29.606 -4.651 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.141 -31.137 -4.269 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.751 -29.921 -5.388 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.705 -31.241 -5.170 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.352 -29.198 -3.137 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.273 -30.561 -2.912 1.00 0.00 H new ATOM 8 N SER A 2 -7.703 -27.736 -4.270 1.00 0.00 N ATOM 9 CA SER A 2 -6.693 -26.838 -4.802 1.00 0.00 C ATOM 10 C SER A 2 -5.965 -26.132 -3.656 1.00 0.00 C ATOM 11 O SER A 2 -6.530 -25.257 -3.002 1.00 0.00 O ATOM 12 CB SER A 2 -7.314 -25.810 -5.750 1.00 0.00 C ATOM 13 OG SER A 2 -7.157 -26.181 -7.116 1.00 0.00 O ATOM 0 H SER A 2 -8.548 -27.275 -3.932 1.00 0.00 H new ATOM 0 HA SER A 2 -5.975 -27.429 -5.371 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.375 -25.702 -5.523 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.852 -24.837 -5.583 1.00 0.00 H new ATOM 0 HG SER A 2 -7.568 -25.501 -7.689 1.00 0.00 H new ATOM 19 N SER A 3 -4.721 -26.538 -3.448 1.00 0.00 N ATOM 20 CA SER A 3 -3.909 -25.955 -2.393 1.00 0.00 C ATOM 21 C SER A 3 -2.640 -25.341 -2.988 1.00 0.00 C ATOM 22 O SER A 3 -1.763 -26.060 -3.464 1.00 0.00 O ATOM 23 CB SER A 3 -3.549 -27.000 -1.335 1.00 0.00 C ATOM 24 OG SER A 3 -2.836 -26.428 -0.242 1.00 0.00 O ATOM 0 H SER A 3 -4.255 -27.264 -3.992 1.00 0.00 H new ATOM 0 HA SER A 3 -4.490 -25.171 -1.907 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.460 -27.472 -0.967 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.945 -27.785 -1.791 1.00 0.00 H new ATOM 0 HG SER A 3 -2.626 -27.126 0.413 1.00 0.00 H new ATOM 30 N GLY A 4 -2.583 -24.019 -2.940 1.00 0.00 N ATOM 31 CA GLY A 4 -1.436 -23.300 -3.468 1.00 0.00 C ATOM 32 C GLY A 4 -1.382 -21.873 -2.918 1.00 0.00 C ATOM 33 O GLY A 4 -0.455 -21.519 -2.190 1.00 0.00 O ATOM 0 H GLY A 4 -3.312 -23.426 -2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.519 -23.829 -3.207 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.489 -23.272 -4.556 1.00 0.00 H new ATOM 37 N SER A 5 -2.387 -21.092 -3.287 1.00 0.00 N ATOM 38 CA SER A 5 -2.466 -19.712 -2.839 1.00 0.00 C ATOM 39 C SER A 5 -3.865 -19.154 -3.108 1.00 0.00 C ATOM 40 O SER A 5 -4.649 -19.760 -3.836 1.00 0.00 O ATOM 41 CB SER A 5 -1.408 -18.848 -3.530 1.00 0.00 C ATOM 42 OG SER A 5 -0.250 -18.673 -2.718 1.00 0.00 O ATOM 0 H SER A 5 -3.153 -21.389 -3.891 1.00 0.00 H new ATOM 0 HA SER A 5 -2.272 -19.688 -1.767 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.122 -19.311 -4.475 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.834 -17.874 -3.769 1.00 0.00 H new ATOM 0 HG SER A 5 -0.004 -19.529 -2.310 1.00 0.00 H new ATOM 48 N SER A 6 -4.135 -18.006 -2.505 1.00 0.00 N ATOM 49 CA SER A 6 -5.425 -17.359 -2.670 1.00 0.00 C ATOM 50 C SER A 6 -5.328 -15.886 -2.269 1.00 0.00 C ATOM 51 O SER A 6 -4.915 -15.568 -1.154 1.00 0.00 O ATOM 52 CB SER A 6 -6.504 -18.064 -1.844 1.00 0.00 C ATOM 53 OG SER A 6 -7.810 -17.836 -2.366 1.00 0.00 O ATOM 0 H SER A 6 -3.482 -17.507 -1.901 1.00 0.00 H new ATOM 0 HA SER A 6 -5.708 -17.424 -3.721 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.303 -19.135 -1.824 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.459 -17.712 -0.813 1.00 0.00 H new ATOM 0 HG SER A 6 -8.470 -18.304 -1.812 1.00 0.00 H new ATOM 59 N GLY A 7 -5.714 -15.026 -3.200 1.00 0.00 N ATOM 60 CA GLY A 7 -5.675 -13.594 -2.957 1.00 0.00 C ATOM 61 C GLY A 7 -5.760 -12.813 -4.270 1.00 0.00 C ATOM 62 O GLY A 7 -6.339 -13.291 -5.245 1.00 0.00 O ATOM 0 H GLY A 7 -6.055 -15.293 -4.123 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.502 -13.309 -2.306 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.754 -13.335 -2.435 1.00 0.00 H new ATOM 66 N MET A 8 -5.174 -11.625 -4.254 1.00 0.00 N ATOM 67 CA MET A 8 -5.176 -10.773 -5.431 1.00 0.00 C ATOM 68 C MET A 8 -3.936 -9.877 -5.462 1.00 0.00 C ATOM 69 O MET A 8 -3.352 -9.583 -4.420 1.00 0.00 O ATOM 70 CB MET A 8 -6.434 -9.903 -5.430 1.00 0.00 C ATOM 71 CG MET A 8 -6.616 -9.203 -4.082 1.00 0.00 C ATOM 72 SD MET A 8 -8.347 -9.150 -3.649 1.00 0.00 S ATOM 73 CE MET A 8 -8.874 -7.769 -4.649 1.00 0.00 C ATOM 0 H MET A 8 -4.694 -11.232 -3.444 1.00 0.00 H new ATOM 0 HA MET A 8 -5.164 -11.409 -6.316 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.367 -9.159 -6.224 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.307 -10.520 -5.644 1.00 0.00 H new ATOM 0 HG2 MET A 8 -6.056 -9.731 -3.310 1.00 0.00 H new ATOM 0 HG3 MET A 8 -6.214 -8.191 -4.131 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.940 -7.596 -4.498 1.00 0.00 H new ATOM 0 HE2 MET A 8 -8.318 -6.877 -4.360 1.00 0.00 H new ATOM 0 HE3 MET A 8 -8.687 -7.989 -5.700 1.00 0.00 H new ATOM 83 N THR A 9 -3.570 -9.469 -6.669 1.00 0.00 N ATOM 84 CA THR A 9 -2.410 -8.613 -6.849 1.00 0.00 C ATOM 85 C THR A 9 -2.847 -7.167 -7.092 1.00 0.00 C ATOM 86 O THR A 9 -3.315 -6.830 -8.178 1.00 0.00 O ATOM 87 CB THR A 9 -1.567 -9.192 -7.987 1.00 0.00 C ATOM 88 OG1 THR A 9 -0.872 -10.281 -7.385 1.00 0.00 O ATOM 89 CG2 THR A 9 -0.455 -8.242 -8.434 1.00 0.00 C ATOM 0 H THR A 9 -4.056 -9.715 -7.531 1.00 0.00 H new ATOM 0 HA THR A 9 -1.794 -8.587 -5.950 1.00 0.00 H new ATOM 0 HB THR A 9 -2.212 -9.421 -8.836 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.302 -10.715 -8.054 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.113 -8.701 -9.243 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.894 -7.307 -8.784 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.210 -8.039 -7.594 1.00 0.00 H new ATOM 97 N VAL A 10 -2.678 -6.350 -6.062 1.00 0.00 N ATOM 98 CA VAL A 10 -3.050 -4.948 -6.150 1.00 0.00 C ATOM 99 C VAL A 10 -1.793 -4.106 -6.376 1.00 0.00 C ATOM 100 O VAL A 10 -0.880 -4.113 -5.551 1.00 0.00 O ATOM 101 CB VAL A 10 -3.830 -4.534 -4.901 1.00 0.00 C ATOM 102 CG1 VAL A 10 -4.186 -3.047 -4.945 1.00 0.00 C ATOM 103 CG2 VAL A 10 -5.084 -5.394 -4.728 1.00 0.00 C ATOM 0 H VAL A 10 -2.289 -6.632 -5.163 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.712 -4.781 -7.000 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.189 -4.699 -4.035 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.740 -2.779 -4.046 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.272 -2.455 -4.998 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.800 -2.846 -5.823 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.620 -5.079 -3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.729 -5.275 -5.598 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.797 -6.441 -4.629 1.00 0.00 H new ATOM 113 N ARG A 11 -1.786 -3.400 -7.497 1.00 0.00 N ATOM 114 CA ARG A 11 -0.656 -2.554 -7.842 1.00 0.00 C ATOM 115 C ARG A 11 -0.844 -1.152 -7.257 1.00 0.00 C ATOM 116 O ARG A 11 -1.971 -0.674 -7.133 1.00 0.00 O ATOM 117 CB ARG A 11 -0.490 -2.447 -9.359 1.00 0.00 C ATOM 118 CG ARG A 11 -0.217 -3.820 -9.978 1.00 0.00 C ATOM 119 CD ARG A 11 -0.237 -3.746 -11.506 1.00 0.00 C ATOM 120 NE ARG A 11 0.647 -4.787 -12.075 1.00 0.00 N ATOM 121 CZ ARG A 11 0.909 -4.918 -13.383 1.00 0.00 C ATOM 122 NH1 ARG A 11 0.356 -4.074 -14.265 1.00 0.00 N ATOM 123 NH2 ARG A 11 1.724 -5.893 -13.809 1.00 0.00 N ATOM 0 H ARG A 11 -2.545 -3.396 -8.178 1.00 0.00 H new ATOM 0 HA ARG A 11 0.240 -3.011 -7.421 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.391 -2.019 -9.798 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.331 -1.769 -9.592 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.752 -4.189 -9.641 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.967 -4.533 -9.635 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.255 -3.882 -11.872 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.091 -2.760 -11.835 1.00 0.00 H new ATOM 0 HE ARG A 11 1.085 -5.446 -11.432 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.264 -3.332 -13.941 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.555 -4.174 -15.260 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.145 -6.535 -13.138 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.923 -5.993 -14.804 1.00 0.00 H new ATOM 137 N VAL A 12 0.276 -0.534 -6.913 1.00 0.00 N ATOM 138 CA VAL A 12 0.248 0.803 -6.344 1.00 0.00 C ATOM 139 C VAL A 12 0.991 1.764 -7.275 1.00 0.00 C ATOM 140 O VAL A 12 2.021 1.410 -7.845 1.00 0.00 O ATOM 141 CB VAL A 12 0.824 0.780 -4.926 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.920 2.195 -4.351 1.00 0.00 C ATOM 143 CG2 VAL A 12 -0.003 -0.128 -4.014 1.00 0.00 C ATOM 0 H VAL A 12 1.208 -0.934 -7.017 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.778 1.161 -6.258 1.00 0.00 H new ATOM 0 HB VAL A 12 1.833 0.371 -4.980 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.332 2.151 -3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.570 2.801 -4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.073 2.642 -4.318 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.427 -0.127 -3.012 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.029 0.238 -3.969 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.002 -1.144 -4.410 1.00 0.00 H new ATOM 153 N CYS A 13 0.437 2.961 -7.400 1.00 0.00 N ATOM 154 CA CYS A 13 1.034 3.976 -8.252 1.00 0.00 C ATOM 155 C CYS A 13 1.589 5.087 -7.359 1.00 0.00 C ATOM 156 O CYS A 13 0.911 6.081 -7.105 1.00 0.00 O ATOM 157 CB CYS A 13 0.033 4.513 -9.277 1.00 0.00 C ATOM 158 SG CYS A 13 0.924 5.212 -10.715 1.00 0.00 S ATOM 0 H CYS A 13 -0.418 3.251 -6.926 1.00 0.00 H new ATOM 0 HA CYS A 13 1.847 3.537 -8.831 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.630 3.712 -9.604 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.593 5.279 -8.819 1.00 0.00 H new ATOM 0 HG CYS A 13 0.065 5.663 -11.580 1.00 0.00 H new ATOM 164 N LYS A 14 2.818 4.881 -6.908 1.00 0.00 N ATOM 165 CA LYS A 14 3.472 5.853 -6.049 1.00 0.00 C ATOM 166 C LYS A 14 3.497 7.213 -6.751 1.00 0.00 C ATOM 167 O LYS A 14 3.662 7.284 -7.968 1.00 0.00 O ATOM 168 CB LYS A 14 4.855 5.352 -5.629 1.00 0.00 C ATOM 169 CG LYS A 14 4.742 4.270 -4.553 1.00 0.00 C ATOM 170 CD LYS A 14 6.127 3.818 -4.083 1.00 0.00 C ATOM 171 CE LYS A 14 6.828 2.990 -5.161 1.00 0.00 C ATOM 172 NZ LYS A 14 8.253 2.790 -4.815 1.00 0.00 N ATOM 0 H LYS A 14 3.378 4.055 -7.121 1.00 0.00 H new ATOM 0 HA LYS A 14 2.911 5.982 -5.124 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.381 4.954 -6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.448 6.185 -5.252 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.173 4.653 -3.706 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.191 3.416 -4.947 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.734 4.689 -3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.031 3.228 -3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.334 2.024 -5.265 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.749 3.494 -6.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.715 2.226 -5.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.725 3.714 -4.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.323 2.289 -3.906 1.00 0.00 H new ATOM 186 N MET A 15 3.332 8.258 -5.954 1.00 0.00 N ATOM 187 CA MET A 15 3.334 9.611 -6.484 1.00 0.00 C ATOM 188 C MET A 15 4.396 9.771 -7.573 1.00 0.00 C ATOM 189 O MET A 15 4.171 10.459 -8.568 1.00 0.00 O ATOM 190 CB MET A 15 3.610 10.602 -5.351 1.00 0.00 C ATOM 191 CG MET A 15 4.586 10.012 -4.332 1.00 0.00 C ATOM 192 SD MET A 15 5.739 11.265 -3.795 1.00 0.00 S ATOM 193 CE MET A 15 6.949 10.241 -2.973 1.00 0.00 C ATOM 0 H MET A 15 3.196 8.195 -4.945 1.00 0.00 H new ATOM 0 HA MET A 15 2.357 9.811 -6.924 1.00 0.00 H new ATOM 0 HB2 MET A 15 4.021 11.524 -5.762 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.675 10.863 -4.855 1.00 0.00 H new ATOM 0 HG2 MET A 15 4.038 9.620 -3.476 1.00 0.00 H new ATOM 0 HG3 MET A 15 5.126 9.175 -4.775 1.00 0.00 H new ATOM 0 HE1 MET A 15 7.747 10.868 -2.575 1.00 0.00 H new ATOM 0 HE2 MET A 15 6.472 9.699 -2.156 1.00 0.00 H new ATOM 0 HE3 MET A 15 7.368 9.530 -3.685 1.00 0.00 H new ATOM 203 N ASP A 16 5.531 9.125 -7.348 1.00 0.00 N ATOM 204 CA ASP A 16 6.629 9.188 -8.298 1.00 0.00 C ATOM 205 C ASP A 16 7.551 7.986 -8.085 1.00 0.00 C ATOM 206 O ASP A 16 8.743 8.054 -8.382 1.00 0.00 O ATOM 207 CB ASP A 16 7.455 10.460 -8.102 1.00 0.00 C ATOM 208 CG ASP A 16 6.789 11.747 -8.592 1.00 0.00 C ATOM 209 OD1 ASP A 16 6.902 12.017 -9.807 1.00 0.00 O ATOM 210 OD2 ASP A 16 6.181 12.431 -7.740 1.00 0.00 O ATOM 0 H ASP A 16 5.714 8.555 -6.522 1.00 0.00 H new ATOM 0 HA ASP A 16 6.207 9.185 -9.303 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.682 10.568 -7.041 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.406 10.341 -8.621 1.00 0.00 H new ATOM 215 N GLY A 17 6.966 6.915 -7.571 1.00 0.00 N ATOM 216 CA GLY A 17 7.720 5.700 -7.314 1.00 0.00 C ATOM 217 C GLY A 17 7.381 4.616 -8.339 1.00 0.00 C ATOM 218 O GLY A 17 6.595 4.849 -9.257 1.00 0.00 O ATOM 0 H GLY A 17 5.977 6.863 -7.325 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.788 5.916 -7.348 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.500 5.337 -6.310 1.00 0.00 H new ATOM 222 N GLU A 18 7.989 3.455 -8.148 1.00 0.00 N ATOM 223 CA GLU A 18 7.761 2.334 -9.045 1.00 0.00 C ATOM 224 C GLU A 18 6.588 1.487 -8.548 1.00 0.00 C ATOM 225 O GLU A 18 6.408 1.315 -7.343 1.00 0.00 O ATOM 226 CB GLU A 18 9.025 1.486 -9.195 1.00 0.00 C ATOM 227 CG GLU A 18 8.824 0.381 -10.235 1.00 0.00 C ATOM 228 CD GLU A 18 9.773 -0.791 -9.979 1.00 0.00 C ATOM 229 OE1 GLU A 18 10.961 -0.649 -10.339 1.00 0.00 O ATOM 230 OE2 GLU A 18 9.288 -1.804 -9.429 1.00 0.00 O ATOM 0 H GLU A 18 8.639 3.266 -7.385 1.00 0.00 H new ATOM 0 HA GLU A 18 7.508 2.727 -10.030 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.860 2.121 -9.491 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.286 1.043 -8.234 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.792 0.031 -10.205 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.996 0.781 -11.234 1.00 0.00 H new ATOM 237 N VAL A 19 5.820 0.979 -9.501 1.00 0.00 N ATOM 238 CA VAL A 19 4.669 0.154 -9.175 1.00 0.00 C ATOM 239 C VAL A 19 5.113 -0.997 -8.270 1.00 0.00 C ATOM 240 O VAL A 19 6.182 -1.571 -8.469 1.00 0.00 O ATOM 241 CB VAL A 19 3.987 -0.323 -10.459 1.00 0.00 C ATOM 242 CG1 VAL A 19 2.923 -1.379 -10.154 1.00 0.00 C ATOM 243 CG2 VAL A 19 3.387 0.854 -11.231 1.00 0.00 C ATOM 0 H VAL A 19 5.972 1.123 -10.499 1.00 0.00 H new ATOM 0 HA VAL A 19 3.927 0.733 -8.625 1.00 0.00 H new ATOM 0 HB VAL A 19 4.746 -0.785 -11.090 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.453 -1.701 -11.083 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.389 -2.235 -9.667 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.167 -0.954 -9.494 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.908 0.487 -12.139 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.647 1.358 -10.609 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.177 1.556 -11.496 1.00 0.00 H new ATOM 253 N MET A 20 4.269 -1.300 -7.295 1.00 0.00 N ATOM 254 CA MET A 20 4.560 -2.372 -6.359 1.00 0.00 C ATOM 255 C MET A 20 3.385 -3.347 -6.259 1.00 0.00 C ATOM 256 O MET A 20 2.269 -2.948 -5.930 1.00 0.00 O ATOM 257 CB MET A 20 4.852 -1.780 -4.979 1.00 0.00 C ATOM 258 CG MET A 20 6.343 -1.478 -4.816 1.00 0.00 C ATOM 259 SD MET A 20 6.588 -0.311 -3.488 1.00 0.00 S ATOM 260 CE MET A 20 5.229 -0.763 -2.423 1.00 0.00 C ATOM 0 H MET A 20 3.383 -0.821 -7.133 1.00 0.00 H new ATOM 0 HA MET A 20 5.431 -2.918 -6.721 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.275 -0.865 -4.842 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.532 -2.478 -4.205 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.888 -2.399 -4.607 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.744 -1.073 -5.745 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.371 -0.312 -1.441 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.294 -0.406 -2.855 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.191 -1.848 -2.322 1.00 0.00 H new ATOM 270 N PRO A 21 3.684 -4.640 -6.555 1.00 0.00 N ATOM 271 CA PRO A 21 2.666 -5.675 -6.501 1.00 0.00 C ATOM 272 C PRO A 21 2.337 -6.047 -5.054 1.00 0.00 C ATOM 273 O PRO A 21 3.144 -6.677 -4.372 1.00 0.00 O ATOM 274 CB PRO A 21 3.242 -6.836 -7.296 1.00 0.00 C ATOM 275 CG PRO A 21 4.740 -6.587 -7.371 1.00 0.00 C ATOM 276 CD PRO A 21 4.995 -5.150 -6.947 1.00 0.00 C ATOM 0 HA PRO A 21 1.715 -5.351 -6.925 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.028 -7.787 -6.809 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.803 -6.883 -8.293 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.275 -7.278 -6.719 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.105 -6.757 -8.384 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.702 -5.101 -6.119 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.419 -4.566 -7.764 1.00 0.00 H new ATOM 284 N VAL A 22 1.151 -5.640 -4.627 1.00 0.00 N ATOM 285 CA VAL A 22 0.706 -5.922 -3.273 1.00 0.00 C ATOM 286 C VAL A 22 -0.279 -7.093 -3.298 1.00 0.00 C ATOM 287 O VAL A 22 -0.956 -7.317 -4.299 1.00 0.00 O ATOM 288 CB VAL A 22 0.116 -4.658 -2.642 1.00 0.00 C ATOM 289 CG1 VAL A 22 -0.501 -4.965 -1.276 1.00 0.00 C ATOM 290 CG2 VAL A 22 1.172 -3.556 -2.532 1.00 0.00 C ATOM 0 H VAL A 22 0.484 -5.117 -5.195 1.00 0.00 H new ATOM 0 HA VAL A 22 1.548 -6.219 -2.648 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.678 -4.296 -3.295 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.913 -4.051 -0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.296 -5.701 -1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.266 -5.362 -0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.727 -2.669 -2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.998 -3.904 -1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.545 -3.309 -3.526 1.00 0.00 H new ATOM 300 N VAL A 23 -0.326 -7.808 -2.184 1.00 0.00 N ATOM 301 CA VAL A 23 -1.216 -8.951 -2.065 1.00 0.00 C ATOM 302 C VAL A 23 -2.220 -8.694 -0.940 1.00 0.00 C ATOM 303 O VAL A 23 -1.891 -8.054 0.057 1.00 0.00 O ATOM 304 CB VAL A 23 -0.401 -10.230 -1.859 1.00 0.00 C ATOM 305 CG1 VAL A 23 0.372 -10.181 -0.539 1.00 0.00 C ATOM 306 CG2 VAL A 23 -1.298 -11.467 -1.924 1.00 0.00 C ATOM 0 H VAL A 23 0.238 -7.618 -1.355 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.785 -9.089 -2.984 1.00 0.00 H new ATOM 0 HB VAL A 23 0.325 -10.300 -2.669 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.943 -11.102 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.053 -9.330 -0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.329 -10.076 0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.695 -12.362 -1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.057 -11.407 -1.144 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.782 -11.514 -2.899 1.00 0.00 H new ATOM 316 N VAL A 24 -3.426 -9.208 -1.138 1.00 0.00 N ATOM 317 CA VAL A 24 -4.481 -9.042 -0.153 1.00 0.00 C ATOM 318 C VAL A 24 -5.518 -10.153 -0.331 1.00 0.00 C ATOM 319 O VAL A 24 -5.454 -10.918 -1.292 1.00 0.00 O ATOM 320 CB VAL A 24 -5.082 -7.640 -0.261 1.00 0.00 C ATOM 321 CG1 VAL A 24 -4.165 -6.599 0.383 1.00 0.00 C ATOM 322 CG2 VAL A 24 -5.380 -7.282 -1.718 1.00 0.00 C ATOM 0 H VAL A 24 -3.695 -9.739 -1.966 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.079 -9.131 0.856 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.026 -7.637 0.284 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.616 -5.611 0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.026 -6.839 1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.198 -6.604 -0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.807 -6.280 -1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.456 -7.312 -2.296 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.090 -7.999 -2.131 1.00 0.00 H new ATOM 332 N VAL A 25 -6.449 -10.206 0.610 1.00 0.00 N ATOM 333 CA VAL A 25 -7.498 -11.211 0.569 1.00 0.00 C ATOM 334 C VAL A 25 -8.483 -10.867 -0.550 1.00 0.00 C ATOM 335 O VAL A 25 -8.628 -9.703 -0.919 1.00 0.00 O ATOM 336 CB VAL A 25 -8.167 -11.325 1.940 1.00 0.00 C ATOM 337 CG1 VAL A 25 -7.242 -12.011 2.946 1.00 0.00 C ATOM 338 CG2 VAL A 25 -8.610 -9.952 2.450 1.00 0.00 C ATOM 0 H VAL A 25 -6.499 -9.569 1.405 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.079 -12.192 0.344 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.057 -11.944 1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.742 -12.079 3.912 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.998 -13.013 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.325 -11.431 3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.082 -10.062 3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.742 -9.299 2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.322 -9.516 1.749 1.00 0.00 H new ATOM 348 N GLN A 26 -9.134 -11.902 -1.060 1.00 0.00 N ATOM 349 CA GLN A 26 -10.101 -11.725 -2.130 1.00 0.00 C ATOM 350 C GLN A 26 -11.149 -10.683 -1.731 1.00 0.00 C ATOM 351 O GLN A 26 -11.808 -10.101 -2.591 1.00 0.00 O ATOM 352 CB GLN A 26 -10.763 -13.055 -2.497 1.00 0.00 C ATOM 353 CG GLN A 26 -10.428 -13.455 -3.936 1.00 0.00 C ATOM 354 CD GLN A 26 -11.664 -14.000 -4.655 1.00 0.00 C ATOM 355 OE1 GLN A 26 -12.697 -13.357 -4.742 1.00 0.00 O ATOM 356 NE2 GLN A 26 -11.501 -15.218 -5.163 1.00 0.00 N ATOM 0 H GLN A 26 -9.011 -12.867 -0.752 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.574 -11.363 -3.013 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.428 -13.834 -1.812 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.844 -12.972 -2.381 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.040 -12.592 -4.476 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.642 -14.210 -3.934 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.609 -15.701 -5.054 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.268 -15.669 -5.662 1.00 0.00 H new ATOM 365 N ASN A 27 -11.269 -10.481 -0.427 1.00 0.00 N ATOM 366 CA ASN A 27 -12.225 -9.520 0.096 1.00 0.00 C ATOM 367 C ASN A 27 -11.519 -8.591 1.085 1.00 0.00 C ATOM 368 O ASN A 27 -11.931 -8.477 2.238 1.00 0.00 O ATOM 369 CB ASN A 27 -13.364 -10.223 0.838 1.00 0.00 C ATOM 370 CG ASN A 27 -12.817 -11.220 1.862 1.00 0.00 C ATOM 371 OD1 ASN A 27 -12.574 -10.896 3.013 1.00 0.00 O ATOM 372 ND2 ASN A 27 -12.638 -12.447 1.381 1.00 0.00 N ATOM 0 H ASN A 27 -10.720 -10.966 0.283 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.634 -8.960 -0.745 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -13.986 -9.483 1.342 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -14.002 -10.743 0.124 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -12.277 -13.184 1.986 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -12.862 -12.651 0.407 1.00 0.00 H new ATOM 379 N ALA A 28 -10.466 -7.950 0.598 1.00 0.00 N ATOM 380 CA ALA A 28 -9.699 -7.035 1.425 1.00 0.00 C ATOM 381 C ALA A 28 -10.356 -5.654 1.394 1.00 0.00 C ATOM 382 O ALA A 28 -11.312 -5.434 0.653 1.00 0.00 O ATOM 383 CB ALA A 28 -8.249 -7.001 0.938 1.00 0.00 C ATOM 0 H ALA A 28 -10.127 -8.047 -0.359 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.688 -7.372 2.462 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.673 -6.314 1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.819 -8.000 1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.221 -6.664 -0.098 1.00 0.00 H new ATOM 389 N THR A 29 -9.818 -4.759 2.210 1.00 0.00 N ATOM 390 CA THR A 29 -10.340 -3.406 2.286 1.00 0.00 C ATOM 391 C THR A 29 -9.205 -2.388 2.161 1.00 0.00 C ATOM 392 O THR A 29 -8.038 -2.764 2.059 1.00 0.00 O ATOM 393 CB THR A 29 -11.131 -3.277 3.590 1.00 0.00 C ATOM 394 OG1 THR A 29 -10.127 -3.152 4.594 1.00 0.00 O ATOM 395 CG2 THR A 29 -11.868 -4.566 3.958 1.00 0.00 C ATOM 0 H THR A 29 -9.025 -4.945 2.824 1.00 0.00 H new ATOM 0 HA THR A 29 -11.015 -3.196 1.457 1.00 0.00 H new ATOM 0 HB THR A 29 -11.849 -2.462 3.500 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.378 -2.442 5.221 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.413 -4.420 4.891 1.00 0.00 H new ATOM 0 HG22 THR A 29 -12.569 -4.823 3.164 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.147 -5.375 4.082 1.00 0.00 H new ATOM 403 N VAL A 30 -9.586 -1.119 2.172 1.00 0.00 N ATOM 404 CA VAL A 30 -8.615 -0.045 2.061 1.00 0.00 C ATOM 405 C VAL A 30 -7.509 -0.253 3.097 1.00 0.00 C ATOM 406 O VAL A 30 -6.331 -0.313 2.750 1.00 0.00 O ATOM 407 CB VAL A 30 -9.314 1.309 2.197 1.00 0.00 C ATOM 408 CG1 VAL A 30 -8.299 2.454 2.190 1.00 0.00 C ATOM 409 CG2 VAL A 30 -10.361 1.499 1.098 1.00 0.00 C ATOM 0 H VAL A 30 -10.555 -0.811 2.256 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.145 -0.056 1.078 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.829 1.324 3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.823 3.405 2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.608 2.333 3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.742 2.441 1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.843 2.469 1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.877 1.452 0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.110 0.711 1.169 1.00 0.00 H new ATOM 419 N LEU A 31 -7.928 -0.359 4.350 1.00 0.00 N ATOM 420 CA LEU A 31 -6.988 -0.559 5.439 1.00 0.00 C ATOM 421 C LEU A 31 -6.017 -1.682 5.069 1.00 0.00 C ATOM 422 O LEU A 31 -4.804 -1.480 5.059 1.00 0.00 O ATOM 423 CB LEU A 31 -7.734 -0.800 6.753 1.00 0.00 C ATOM 424 CG LEU A 31 -7.026 -1.696 7.772 1.00 0.00 C ATOM 425 CD1 LEU A 31 -5.940 -0.922 8.521 1.00 0.00 C ATOM 426 CD2 LEU A 31 -8.033 -2.342 8.727 1.00 0.00 C ATOM 0 H LEU A 31 -8.906 -0.310 4.635 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.392 0.340 5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.927 0.166 7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.703 -1.242 6.522 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.531 -2.503 7.232 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.453 -1.582 9.239 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.202 -0.551 7.810 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.391 -0.081 9.049 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.504 -2.974 9.441 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.576 -1.564 9.264 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.737 -2.949 8.158 1.00 0.00 H new ATOM 438 N ASP A 32 -6.587 -2.841 4.774 1.00 0.00 N ATOM 439 CA ASP A 32 -5.787 -3.996 4.404 1.00 0.00 C ATOM 440 C ASP A 32 -4.705 -3.565 3.411 1.00 0.00 C ATOM 441 O ASP A 32 -3.517 -3.774 3.653 1.00 0.00 O ATOM 442 CB ASP A 32 -6.646 -5.068 3.730 1.00 0.00 C ATOM 443 CG ASP A 32 -6.107 -6.496 3.847 1.00 0.00 C ATOM 444 OD1 ASP A 32 -4.871 -6.626 3.983 1.00 0.00 O ATOM 445 OD2 ASP A 32 -6.943 -7.424 3.796 1.00 0.00 O ATOM 0 H ASP A 32 -7.594 -3.005 4.784 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.346 -4.405 5.313 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.646 -5.036 4.163 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.748 -4.819 2.674 1.00 0.00 H new ATOM 450 N LEU A 33 -5.155 -2.970 2.316 1.00 0.00 N ATOM 451 CA LEU A 33 -4.240 -2.508 1.286 1.00 0.00 C ATOM 452 C LEU A 33 -3.005 -1.892 1.947 1.00 0.00 C ATOM 453 O LEU A 33 -1.878 -2.294 1.660 1.00 0.00 O ATOM 454 CB LEU A 33 -4.956 -1.563 0.319 1.00 0.00 C ATOM 455 CG LEU A 33 -4.635 -1.753 -1.165 1.00 0.00 C ATOM 456 CD1 LEU A 33 -3.286 -1.124 -1.519 1.00 0.00 C ATOM 457 CD2 LEU A 33 -4.699 -3.231 -1.555 1.00 0.00 C ATOM 0 H LEU A 33 -6.141 -2.797 2.120 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.894 -3.345 0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.031 -1.681 0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.710 -0.538 0.595 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.395 -1.233 -1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.082 -1.273 -2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.314 -0.056 -1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.499 -1.594 -0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.467 -3.338 -2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.975 -3.794 -0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.701 -3.615 -1.362 1.00 0.00 H new ATOM 469 N LYS A 34 -3.258 -0.927 2.818 1.00 0.00 N ATOM 470 CA LYS A 34 -2.181 -0.251 3.521 1.00 0.00 C ATOM 471 C LYS A 34 -1.324 -1.289 4.249 1.00 0.00 C ATOM 472 O LYS A 34 -0.109 -1.337 4.063 1.00 0.00 O ATOM 473 CB LYS A 34 -2.740 0.838 4.439 1.00 0.00 C ATOM 474 CG LYS A 34 -3.273 2.019 3.626 1.00 0.00 C ATOM 475 CD LYS A 34 -4.736 2.306 3.971 1.00 0.00 C ATOM 476 CE LYS A 34 -4.908 3.737 4.483 1.00 0.00 C ATOM 477 NZ LYS A 34 -5.231 3.736 5.927 1.00 0.00 N ATOM 0 H LYS A 34 -4.194 -0.597 3.053 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.529 0.264 2.815 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.539 0.425 5.054 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.960 1.182 5.118 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.668 2.904 3.824 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.182 1.803 2.561 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.358 2.154 3.089 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.080 1.601 4.728 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.993 4.304 4.309 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.702 4.235 3.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.344 4.715 6.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.116 3.213 6.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.460 3.279 6.455 1.00 0.00 H new ATOM 491 N LYS A 35 -1.991 -2.095 5.063 1.00 0.00 N ATOM 492 CA LYS A 35 -1.305 -3.129 5.820 1.00 0.00 C ATOM 493 C LYS A 35 -0.374 -3.905 4.886 1.00 0.00 C ATOM 494 O LYS A 35 0.821 -4.021 5.153 1.00 0.00 O ATOM 495 CB LYS A 35 -2.315 -4.012 6.555 1.00 0.00 C ATOM 496 CG LYS A 35 -3.115 -3.199 7.574 1.00 0.00 C ATOM 497 CD LYS A 35 -3.955 -4.114 8.468 1.00 0.00 C ATOM 498 CE LYS A 35 -3.599 -3.917 9.943 1.00 0.00 C ATOM 499 NZ LYS A 35 -3.896 -5.143 10.716 1.00 0.00 N ATOM 0 H LYS A 35 -2.999 -2.053 5.215 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.681 -2.685 6.595 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.994 -4.470 5.836 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.793 -4.824 7.061 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.435 -2.609 8.188 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.766 -2.496 7.054 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.014 -3.906 8.315 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.791 -5.154 8.186 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.542 -3.667 10.038 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.163 -3.078 10.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.649 -4.992 11.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.909 -5.364 10.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.339 -5.936 10.337 1.00 0.00 H new ATOM 513 N ALA A 36 -0.956 -4.415 3.812 1.00 0.00 N ATOM 514 CA ALA A 36 -0.193 -5.177 2.838 1.00 0.00 C ATOM 515 C ALA A 36 1.005 -4.346 2.372 1.00 0.00 C ATOM 516 O ALA A 36 2.152 -4.696 2.646 1.00 0.00 O ATOM 517 CB ALA A 36 -1.106 -5.585 1.679 1.00 0.00 C ATOM 0 H ALA A 36 -1.947 -4.316 3.594 1.00 0.00 H new ATOM 0 HA ALA A 36 0.194 -6.092 3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.533 -6.157 0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.924 -6.197 2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.512 -4.692 1.204 1.00 0.00 H new ATOM 523 N ILE A 37 0.697 -3.262 1.675 1.00 0.00 N ATOM 524 CA ILE A 37 1.733 -2.379 1.168 1.00 0.00 C ATOM 525 C ILE A 37 2.830 -2.229 2.224 1.00 0.00 C ATOM 526 O ILE A 37 4.007 -2.106 1.889 1.00 0.00 O ATOM 527 CB ILE A 37 1.129 -1.048 0.716 1.00 0.00 C ATOM 528 CG1 ILE A 37 0.167 -1.253 -0.456 1.00 0.00 C ATOM 529 CG2 ILE A 37 2.225 -0.032 0.387 1.00 0.00 C ATOM 530 CD1 ILE A 37 -0.699 -0.012 -0.678 1.00 0.00 C ATOM 0 H ILE A 37 -0.256 -2.975 1.450 1.00 0.00 H new ATOM 0 HA ILE A 37 2.199 -2.808 0.281 1.00 0.00 H new ATOM 0 HB ILE A 37 0.548 -0.638 1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.733 -1.473 -1.361 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.470 -2.116 -0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.769 0.905 0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.835 0.144 1.273 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.853 -0.421 -0.415 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.374 -0.184 -1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.282 0.191 0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.060 0.843 -0.896 1.00 0.00 H new ATOM 542 N GLN A 38 2.405 -2.242 3.479 1.00 0.00 N ATOM 543 CA GLN A 38 3.336 -2.109 4.586 1.00 0.00 C ATOM 544 C GLN A 38 4.102 -3.417 4.797 1.00 0.00 C ATOM 545 O GLN A 38 5.330 -3.417 4.868 1.00 0.00 O ATOM 546 CB GLN A 38 2.611 -1.687 5.866 1.00 0.00 C ATOM 547 CG GLN A 38 2.822 -0.199 6.150 1.00 0.00 C ATOM 548 CD GLN A 38 2.353 0.162 7.561 1.00 0.00 C ATOM 549 OE1 GLN A 38 3.139 0.404 8.462 1.00 0.00 O ATOM 550 NE2 GLN A 38 1.030 0.183 7.702 1.00 0.00 N ATOM 0 H GLN A 38 1.428 -2.343 3.753 1.00 0.00 H new ATOM 0 HA GLN A 38 4.053 -1.326 4.338 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.545 -1.895 5.770 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.977 -2.277 6.707 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.877 0.050 6.039 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.275 0.396 5.418 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.429 -0.030 6.906 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.617 0.412 8.606 1.00 0.00 H new ATOM 559 N ARG A 39 3.345 -4.500 4.889 1.00 0.00 N ATOM 560 CA ARG A 39 3.937 -5.812 5.089 1.00 0.00 C ATOM 561 C ARG A 39 4.801 -6.194 3.886 1.00 0.00 C ATOM 562 O ARG A 39 5.545 -7.172 3.937 1.00 0.00 O ATOM 563 CB ARG A 39 2.858 -6.878 5.292 1.00 0.00 C ATOM 564 CG ARG A 39 2.550 -7.071 6.779 1.00 0.00 C ATOM 565 CD ARG A 39 1.147 -6.564 7.119 1.00 0.00 C ATOM 566 NE ARG A 39 0.699 -7.140 8.406 1.00 0.00 N ATOM 567 CZ ARG A 39 0.359 -8.425 8.576 1.00 0.00 C ATOM 568 NH1 ARG A 39 0.414 -9.275 7.542 1.00 0.00 N ATOM 569 NH2 ARG A 39 -0.036 -8.859 9.781 1.00 0.00 N ATOM 0 H ARG A 39 2.327 -4.496 4.829 1.00 0.00 H new ATOM 0 HA ARG A 39 4.557 -5.763 5.984 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.950 -6.587 4.764 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.189 -7.822 4.860 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.631 -8.127 7.037 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.288 -6.539 7.379 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.149 -5.476 7.179 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.450 -6.838 6.327 1.00 0.00 H new ATOM 0 HE ARG A 39 0.646 -6.520 9.214 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.715 -8.944 6.625 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.155 -10.253 7.672 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.078 -8.211 10.568 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.295 -9.837 9.911 1.00 0.00 H new ATOM 583 N TYR A 40 4.673 -5.402 2.831 1.00 0.00 N ATOM 584 CA TYR A 40 5.433 -5.645 1.617 1.00 0.00 C ATOM 585 C TYR A 40 6.825 -5.015 1.706 1.00 0.00 C ATOM 586 O TYR A 40 7.805 -5.600 1.249 1.00 0.00 O ATOM 587 CB TYR A 40 4.652 -4.970 0.488 1.00 0.00 C ATOM 588 CG TYR A 40 5.351 -5.024 -0.872 1.00 0.00 C ATOM 589 CD1 TYR A 40 6.387 -4.155 -1.150 1.00 0.00 C ATOM 590 CD2 TYR A 40 4.947 -5.942 -1.820 1.00 0.00 C ATOM 591 CE1 TYR A 40 7.045 -4.206 -2.430 1.00 0.00 C ATOM 592 CE2 TYR A 40 5.605 -5.992 -3.099 1.00 0.00 C ATOM 593 CZ TYR A 40 6.621 -5.122 -3.341 1.00 0.00 C ATOM 594 OH TYR A 40 7.243 -5.170 -4.550 1.00 0.00 O ATOM 0 H TYR A 40 4.054 -4.592 2.792 1.00 0.00 H new ATOM 0 HA TYR A 40 5.563 -6.715 1.454 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.675 -5.445 0.402 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.477 -3.927 0.754 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.704 -3.437 -0.408 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.137 -6.623 -1.602 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.857 -3.532 -2.661 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.298 -6.705 -3.850 1.00 0.00 H new ATOM 0 HH TYR A 40 7.131 -6.062 -4.940 1.00 0.00 H new ATOM 604 N VAL A 41 6.866 -3.830 2.297 1.00 0.00 N ATOM 605 CA VAL A 41 8.121 -3.114 2.452 1.00 0.00 C ATOM 606 C VAL A 41 8.720 -3.434 3.822 1.00 0.00 C ATOM 607 O VAL A 41 9.929 -3.622 3.946 1.00 0.00 O ATOM 608 CB VAL A 41 7.899 -1.616 2.231 1.00 0.00 C ATOM 609 CG1 VAL A 41 9.148 -0.816 2.607 1.00 0.00 C ATOM 610 CG2 VAL A 41 7.478 -1.330 0.788 1.00 0.00 C ATOM 0 H VAL A 41 6.050 -3.348 2.674 1.00 0.00 H new ATOM 0 HA VAL A 41 8.841 -3.437 1.700 1.00 0.00 H new ATOM 0 HB VAL A 41 7.087 -1.298 2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.964 0.245 2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.384 -0.983 3.658 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.987 -1.140 1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.327 -0.258 0.659 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.258 -1.671 0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.549 -1.856 0.569 1.00 0.00 H new ATOM 620 N GLN A 42 7.847 -3.486 4.817 1.00 0.00 N ATOM 621 CA GLN A 42 8.275 -3.780 6.174 1.00 0.00 C ATOM 622 C GLN A 42 8.989 -5.133 6.224 1.00 0.00 C ATOM 623 O GLN A 42 10.199 -5.192 6.437 1.00 0.00 O ATOM 624 CB GLN A 42 7.090 -3.750 7.142 1.00 0.00 C ATOM 625 CG GLN A 42 7.540 -3.351 8.548 1.00 0.00 C ATOM 626 CD GLN A 42 7.853 -4.586 9.395 1.00 0.00 C ATOM 627 OE1 GLN A 42 7.277 -5.649 9.226 1.00 0.00 O ATOM 628 NE2 GLN A 42 8.795 -4.389 10.313 1.00 0.00 N ATOM 0 H GLN A 42 6.845 -3.329 4.711 1.00 0.00 H new ATOM 0 HA GLN A 42 8.978 -3.008 6.487 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.340 -3.045 6.783 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.616 -4.731 7.173 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.424 -2.716 8.484 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.759 -2.763 9.030 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.237 -3.474 10.402 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.075 -5.153 10.928 1.00 0.00 H new ATOM 637 N LEU A 43 8.210 -6.185 6.024 1.00 0.00 N ATOM 638 CA LEU A 43 8.752 -7.533 6.044 1.00 0.00 C ATOM 639 C LEU A 43 10.062 -7.562 5.252 1.00 0.00 C ATOM 640 O LEU A 43 11.019 -8.221 5.654 1.00 0.00 O ATOM 641 CB LEU A 43 7.711 -8.537 5.546 1.00 0.00 C ATOM 642 CG LEU A 43 7.761 -8.873 4.054 1.00 0.00 C ATOM 643 CD1 LEU A 43 9.011 -9.689 3.718 1.00 0.00 C ATOM 644 CD2 LEU A 43 6.479 -9.577 3.607 1.00 0.00 C ATOM 0 H LEU A 43 7.207 -6.131 5.847 1.00 0.00 H new ATOM 0 HA LEU A 43 8.988 -7.834 7.065 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.829 -9.462 6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.720 -8.147 5.777 1.00 0.00 H new ATOM 0 HG LEU A 43 7.826 -7.939 3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.022 -9.915 2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.901 -9.115 3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.002 -10.619 4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.541 -9.804 2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.357 -10.503 4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.624 -8.926 3.790 1.00 0.00 H new ATOM 656 N LYS A 44 10.061 -6.839 4.142 1.00 0.00 N ATOM 657 CA LYS A 44 11.237 -6.774 3.291 1.00 0.00 C ATOM 658 C LYS A 44 12.425 -6.261 4.108 1.00 0.00 C ATOM 659 O LYS A 44 13.394 -6.987 4.322 1.00 0.00 O ATOM 660 CB LYS A 44 10.947 -5.944 2.039 1.00 0.00 C ATOM 661 CG LYS A 44 11.336 -6.708 0.772 1.00 0.00 C ATOM 662 CD LYS A 44 10.833 -5.985 -0.480 1.00 0.00 C ATOM 663 CE LYS A 44 11.845 -4.940 -0.952 1.00 0.00 C ATOM 664 NZ LYS A 44 11.239 -4.056 -1.973 1.00 0.00 N ATOM 0 H LYS A 44 9.265 -6.293 3.812 1.00 0.00 H new ATOM 0 HA LYS A 44 11.503 -7.768 2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.888 -5.690 2.004 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.498 -5.005 2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.420 -6.813 0.725 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.919 -7.715 0.807 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.654 -6.709 -1.275 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.879 -5.503 -0.267 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.186 -4.346 -0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.723 -5.436 -1.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.939 -3.352 -2.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.936 -4.625 -2.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.416 -3.569 -1.566 1.00 0.00 H new ATOM 678 N GLN A 45 12.310 -5.014 4.541 1.00 0.00 N ATOM 679 CA GLN A 45 13.362 -4.396 5.329 1.00 0.00 C ATOM 680 C GLN A 45 13.809 -5.338 6.449 1.00 0.00 C ATOM 681 O GLN A 45 15.005 -5.534 6.659 1.00 0.00 O ATOM 682 CB GLN A 45 12.904 -3.050 5.895 1.00 0.00 C ATOM 683 CG GLN A 45 12.694 -2.028 4.777 1.00 0.00 C ATOM 684 CD GLN A 45 11.621 -1.007 5.161 1.00 0.00 C ATOM 685 OE1 GLN A 45 10.663 -1.306 5.855 1.00 0.00 O ATOM 686 NE2 GLN A 45 11.835 0.212 4.674 1.00 0.00 N ATOM 0 H GLN A 45 11.504 -4.415 4.361 1.00 0.00 H new ATOM 0 HA GLN A 45 14.215 -4.208 4.677 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.976 -3.182 6.451 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.647 -2.676 6.600 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.632 -1.514 4.569 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.401 -2.541 3.861 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.658 0.394 4.099 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.176 0.964 4.875 1.00 0.00 H new ATOM 695 N GLU A 46 12.825 -5.896 7.138 1.00 0.00 N ATOM 696 CA GLU A 46 13.103 -6.813 8.231 1.00 0.00 C ATOM 697 C GLU A 46 14.060 -7.913 7.770 1.00 0.00 C ATOM 698 O GLU A 46 15.062 -8.186 8.430 1.00 0.00 O ATOM 699 CB GLU A 46 11.809 -7.409 8.788 1.00 0.00 C ATOM 700 CG GLU A 46 11.670 -7.118 10.284 1.00 0.00 C ATOM 701 CD GLU A 46 12.075 -8.334 11.119 1.00 0.00 C ATOM 702 OE1 GLU A 46 11.420 -9.385 10.946 1.00 0.00 O ATOM 703 OE2 GLU A 46 13.030 -8.186 11.911 1.00 0.00 O ATOM 0 H GLU A 46 11.834 -5.731 6.961 1.00 0.00 H new ATOM 0 HA GLU A 46 13.583 -6.255 9.035 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.954 -6.996 8.253 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.799 -8.486 8.621 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.293 -6.265 10.552 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.640 -6.844 10.511 1.00 0.00 H new ATOM 710 N ARG A 47 13.719 -8.516 6.640 1.00 0.00 N ATOM 711 CA ARG A 47 14.536 -9.581 6.084 1.00 0.00 C ATOM 712 C ARG A 47 15.944 -9.066 5.779 1.00 0.00 C ATOM 713 O ARG A 47 16.913 -9.820 5.851 1.00 0.00 O ATOM 714 CB ARG A 47 13.915 -10.137 4.801 1.00 0.00 C ATOM 715 CG ARG A 47 12.493 -10.642 5.053 1.00 0.00 C ATOM 716 CD ARG A 47 12.453 -12.171 5.092 1.00 0.00 C ATOM 717 NE ARG A 47 11.277 -12.627 5.867 1.00 0.00 N ATOM 718 CZ ARG A 47 11.040 -13.906 6.190 1.00 0.00 C ATOM 719 NH1 ARG A 47 11.897 -14.863 5.808 1.00 0.00 N ATOM 720 NH2 ARG A 47 9.947 -14.227 6.896 1.00 0.00 N ATOM 0 H ARG A 47 12.888 -8.287 6.095 1.00 0.00 H new ATOM 0 HA ARG A 47 14.590 -10.379 6.824 1.00 0.00 H new ATOM 0 HB2 ARG A 47 13.899 -9.362 4.035 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.531 -10.951 4.418 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.123 -10.241 5.996 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.829 -10.277 4.269 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.407 -12.568 4.078 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.368 -12.556 5.543 1.00 0.00 H new ATOM 0 HE ARG A 47 10.605 -11.924 6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.729 -14.618 5.272 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.717 -15.836 6.054 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.296 -13.498 7.187 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.766 -15.200 7.142 1.00 0.00 H new ATOM 734 N GLU A 48 16.012 -7.785 5.446 1.00 0.00 N ATOM 735 CA GLU A 48 17.285 -7.161 5.131 1.00 0.00 C ATOM 736 C GLU A 48 17.890 -6.526 6.385 1.00 0.00 C ATOM 737 O GLU A 48 18.817 -5.722 6.293 1.00 0.00 O ATOM 738 CB GLU A 48 17.127 -6.126 4.015 1.00 0.00 C ATOM 739 CG GLU A 48 17.367 -6.760 2.642 1.00 0.00 C ATOM 740 CD GLU A 48 17.418 -5.692 1.547 1.00 0.00 C ATOM 741 OE1 GLU A 48 18.405 -4.925 1.549 1.00 0.00 O ATOM 742 OE2 GLU A 48 16.470 -5.668 0.734 1.00 0.00 O ATOM 0 H GLU A 48 15.206 -7.163 5.388 1.00 0.00 H new ATOM 0 HA GLU A 48 17.967 -7.933 4.773 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.126 -5.696 4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.831 -5.308 4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 48 18.303 -7.319 2.654 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.572 -7.473 2.423 1.00 0.00 H new ATOM 749 N GLY A 49 17.341 -6.910 7.528 1.00 0.00 N ATOM 750 CA GLY A 49 17.815 -6.389 8.798 1.00 0.00 C ATOM 751 C GLY A 49 16.878 -5.302 9.329 1.00 0.00 C ATOM 752 O GLY A 49 16.416 -5.376 10.466 1.00 0.00 O ATOM 0 H GLY A 49 16.572 -7.576 7.601 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.886 -7.199 9.524 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.819 -5.981 8.676 1.00 0.00 H new ATOM 756 N GLY A 50 16.625 -4.317 8.479 1.00 0.00 N ATOM 757 CA GLY A 50 15.751 -3.216 8.847 1.00 0.00 C ATOM 758 C GLY A 50 16.467 -1.873 8.694 1.00 0.00 C ATOM 759 O GLY A 50 17.678 -1.785 8.889 1.00 0.00 O ATOM 0 H GLY A 50 17.010 -4.259 7.536 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.859 -3.230 8.221 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.419 -3.340 9.878 1.00 0.00 H new ATOM 763 N VAL A 51 15.688 -0.859 8.347 1.00 0.00 N ATOM 764 CA VAL A 51 16.232 0.476 8.165 1.00 0.00 C ATOM 765 C VAL A 51 16.178 1.229 9.496 1.00 0.00 C ATOM 766 O VAL A 51 15.717 0.690 10.500 1.00 0.00 O ATOM 767 CB VAL A 51 15.487 1.196 7.040 1.00 0.00 C ATOM 768 CG1 VAL A 51 14.300 1.990 7.589 1.00 0.00 C ATOM 769 CG2 VAL A 51 16.433 2.101 6.247 1.00 0.00 C ATOM 0 H VAL A 51 14.684 -0.935 8.187 1.00 0.00 H new ATOM 0 HA VAL A 51 17.278 0.425 7.862 1.00 0.00 H new ATOM 0 HB VAL A 51 15.098 0.440 6.358 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.788 2.492 6.769 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.608 1.312 8.088 1.00 0.00 H new ATOM 0 HG13 VAL A 51 14.658 2.733 8.302 1.00 0.00 H new ATOM 0 HG21 VAL A 51 15.878 2.601 5.453 1.00 0.00 H new ATOM 0 HG22 VAL A 51 16.866 2.848 6.913 1.00 0.00 H new ATOM 0 HG23 VAL A 51 17.230 1.500 5.809 1.00 0.00 H new ATOM 779 N GLN A 52 16.657 2.464 9.460 1.00 0.00 N ATOM 780 CA GLN A 52 16.669 3.297 10.651 1.00 0.00 C ATOM 781 C GLN A 52 15.257 3.421 11.226 1.00 0.00 C ATOM 782 O GLN A 52 15.019 3.065 12.379 1.00 0.00 O ATOM 783 CB GLN A 52 17.261 4.675 10.350 1.00 0.00 C ATOM 784 CG GLN A 52 18.614 4.549 9.646 1.00 0.00 C ATOM 785 CD GLN A 52 18.704 5.505 8.455 1.00 0.00 C ATOM 786 OE1 GLN A 52 17.712 5.885 7.855 1.00 0.00 O ATOM 787 NE2 GLN A 52 19.945 5.870 8.146 1.00 0.00 N ATOM 0 H GLN A 52 17.040 2.908 8.625 1.00 0.00 H new ATOM 0 HA GLN A 52 17.304 2.820 11.398 1.00 0.00 H new ATOM 0 HB2 GLN A 52 16.572 5.242 9.723 1.00 0.00 H new ATOM 0 HB3 GLN A 52 17.381 5.234 11.278 1.00 0.00 H new ATOM 0 HG2 GLN A 52 19.416 4.765 10.351 1.00 0.00 H new ATOM 0 HG3 GLN A 52 18.756 3.523 9.305 1.00 0.00 H new ATOM 0 HE21 GLN A 52 20.731 5.515 8.690 1.00 0.00 H new ATOM 0 HE22 GLN A 52 20.110 6.505 7.365 1.00 0.00 H new ATOM 796 N HIS A 53 14.356 3.926 10.396 1.00 0.00 N ATOM 797 CA HIS A 53 12.974 4.101 10.808 1.00 0.00 C ATOM 798 C HIS A 53 12.160 4.672 9.645 1.00 0.00 C ATOM 799 O HIS A 53 12.674 5.457 8.850 1.00 0.00 O ATOM 800 CB HIS A 53 12.888 4.961 12.070 1.00 0.00 C ATOM 801 CG HIS A 53 13.765 6.190 12.037 1.00 0.00 C ATOM 802 ND1 HIS A 53 14.833 6.372 12.898 1.00 0.00 N ATOM 803 CD2 HIS A 53 13.721 7.294 11.239 1.00 0.00 C ATOM 804 CE1 HIS A 53 15.399 7.537 12.621 1.00 0.00 C ATOM 805 NE2 HIS A 53 14.708 8.108 11.593 1.00 0.00 N ATOM 0 H HIS A 53 14.556 4.220 9.440 1.00 0.00 H new ATOM 0 HA HIS A 53 12.543 3.134 11.067 1.00 0.00 H new ATOM 0 HB2 HIS A 53 11.853 5.270 12.217 1.00 0.00 H new ATOM 0 HB3 HIS A 53 13.165 4.353 12.931 1.00 0.00 H new ATOM 0 HD2 HIS A 53 13.004 7.476 10.452 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.257 7.961 13.121 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.915 9.011 11.167 1.00 0.00 H new ATOM 813 N ILE A 54 10.904 4.255 9.583 1.00 0.00 N ATOM 814 CA ILE A 54 10.014 4.716 8.530 1.00 0.00 C ATOM 815 C ILE A 54 8.816 5.432 9.158 1.00 0.00 C ATOM 816 O ILE A 54 8.078 4.841 9.945 1.00 0.00 O ATOM 817 CB ILE A 54 9.625 3.555 7.612 1.00 0.00 C ATOM 818 CG1 ILE A 54 10.852 2.730 7.221 1.00 0.00 C ATOM 819 CG2 ILE A 54 8.859 4.059 6.387 1.00 0.00 C ATOM 820 CD1 ILE A 54 10.641 1.248 7.541 1.00 0.00 C ATOM 0 H ILE A 54 10.481 3.603 10.244 1.00 0.00 H new ATOM 0 HA ILE A 54 10.520 5.441 7.892 1.00 0.00 H new ATOM 0 HB ILE A 54 8.955 2.894 8.162 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.052 2.851 6.156 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.728 3.100 7.754 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.594 3.215 5.751 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.951 4.569 6.710 1.00 0.00 H new ATOM 0 HG23 ILE A 54 9.485 4.753 5.827 1.00 0.00 H new ATOM 0 HD11 ILE A 54 11.528 0.684 7.253 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.466 1.128 8.610 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.779 0.875 6.988 1.00 0.00 H new ATOM 832 N SER A 55 8.661 6.694 8.786 1.00 0.00 N ATOM 833 CA SER A 55 7.565 7.497 9.303 1.00 0.00 C ATOM 834 C SER A 55 6.271 7.155 8.561 1.00 0.00 C ATOM 835 O SER A 55 5.678 8.015 7.912 1.00 0.00 O ATOM 836 CB SER A 55 7.870 8.991 9.177 1.00 0.00 C ATOM 837 OG SER A 55 8.427 9.524 10.375 1.00 0.00 O ATOM 0 H SER A 55 9.275 7.180 8.133 1.00 0.00 H new ATOM 0 HA SER A 55 7.441 7.267 10.361 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.564 9.151 8.352 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.954 9.529 8.932 1.00 0.00 H new ATOM 0 HG SER A 55 8.609 10.479 10.254 1.00 0.00 H new ATOM 843 N TRP A 56 5.871 5.897 8.683 1.00 0.00 N ATOM 844 CA TRP A 56 4.658 5.431 8.033 1.00 0.00 C ATOM 845 C TRP A 56 3.500 6.310 8.509 1.00 0.00 C ATOM 846 O TRP A 56 2.739 6.833 7.696 1.00 0.00 O ATOM 847 CB TRP A 56 4.429 3.943 8.302 1.00 0.00 C ATOM 848 CG TRP A 56 5.163 3.015 7.332 1.00 0.00 C ATOM 849 CD1 TRP A 56 6.010 2.019 7.624 1.00 0.00 C ATOM 850 CD2 TRP A 56 5.079 3.038 5.891 1.00 0.00 C ATOM 851 NE1 TRP A 56 6.476 1.400 6.481 1.00 0.00 N ATOM 852 CE2 TRP A 56 5.892 2.040 5.394 1.00 0.00 C ATOM 853 CE3 TRP A 56 4.340 3.874 5.036 1.00 0.00 C ATOM 854 CZ2 TRP A 56 6.044 1.785 4.026 1.00 0.00 C ATOM 855 CZ3 TRP A 56 4.503 3.607 3.671 1.00 0.00 C ATOM 856 CH2 TRP A 56 5.318 2.606 3.155 1.00 0.00 C ATOM 0 H TRP A 56 6.366 5.187 9.222 1.00 0.00 H new ATOM 0 HA TRP A 56 4.741 5.521 6.950 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.748 3.715 9.319 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.360 3.735 8.249 1.00 0.00 H new ATOM 0 HD1 TRP A 56 6.293 1.736 8.627 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.129 0.617 6.442 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.697 4.660 5.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.687 0.997 3.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 3.957 4.222 2.970 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.391 2.462 2.087 1.00 0.00 H new ATOM 867 N SER A 57 3.402 6.445 9.823 1.00 0.00 N ATOM 868 CA SER A 57 2.349 7.251 10.416 1.00 0.00 C ATOM 869 C SER A 57 2.124 8.514 9.583 1.00 0.00 C ATOM 870 O SER A 57 1.024 8.745 9.083 1.00 0.00 O ATOM 871 CB SER A 57 2.687 7.622 11.862 1.00 0.00 C ATOM 872 OG SER A 57 2.541 6.514 12.746 1.00 0.00 O ATOM 0 H SER A 57 4.035 6.010 10.494 1.00 0.00 H new ATOM 0 HA SER A 57 1.432 6.662 10.425 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.711 7.992 11.911 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.038 8.434 12.189 1.00 0.00 H new ATOM 0 HG SER A 57 2.767 6.791 13.658 1.00 0.00 H new ATOM 878 N TYR A 58 3.184 9.299 9.458 1.00 0.00 N ATOM 879 CA TYR A 58 3.117 10.532 8.693 1.00 0.00 C ATOM 880 C TYR A 58 2.700 10.259 7.247 1.00 0.00 C ATOM 881 O TYR A 58 1.853 10.962 6.697 1.00 0.00 O ATOM 882 CB TYR A 58 4.533 11.112 8.702 1.00 0.00 C ATOM 883 CG TYR A 58 4.691 12.380 7.860 1.00 0.00 C ATOM 884 CD1 TYR A 58 4.465 13.618 8.427 1.00 0.00 C ATOM 885 CD2 TYR A 58 5.060 12.285 6.534 1.00 0.00 C ATOM 886 CE1 TYR A 58 4.614 14.811 7.634 1.00 0.00 C ATOM 887 CE2 TYR A 58 5.210 13.478 5.741 1.00 0.00 C ATOM 888 CZ TYR A 58 4.979 14.682 6.330 1.00 0.00 C ATOM 889 OH TYR A 58 5.120 15.809 5.582 1.00 0.00 O ATOM 0 H TYR A 58 4.095 9.105 9.874 1.00 0.00 H new ATOM 0 HA TYR A 58 2.384 11.212 9.126 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.817 11.333 9.731 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.227 10.356 8.335 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.176 13.692 9.465 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.236 11.316 6.091 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.440 15.786 8.065 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.499 13.418 4.702 1.00 0.00 H new ATOM 0 HH TYR A 58 5.385 15.566 4.670 1.00 0.00 H new ATOM 899 N VAL A 59 3.314 9.236 6.671 1.00 0.00 N ATOM 900 CA VAL A 59 3.017 8.861 5.299 1.00 0.00 C ATOM 901 C VAL A 59 1.513 8.627 5.153 1.00 0.00 C ATOM 902 O VAL A 59 0.849 9.303 4.368 1.00 0.00 O ATOM 903 CB VAL A 59 3.853 7.644 4.897 1.00 0.00 C ATOM 904 CG1 VAL A 59 3.331 7.025 3.598 1.00 0.00 C ATOM 905 CG2 VAL A 59 5.333 8.012 4.772 1.00 0.00 C ATOM 0 H VAL A 59 4.016 8.655 7.130 1.00 0.00 H new ATOM 0 HA VAL A 59 3.288 9.666 4.616 1.00 0.00 H new ATOM 0 HB VAL A 59 3.759 6.898 5.686 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.943 6.162 3.335 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.297 6.709 3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.381 7.763 2.797 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.904 7.129 4.485 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.453 8.784 4.012 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.697 8.385 5.729 1.00 0.00 H new ATOM 915 N TRP A 60 1.018 7.668 5.921 1.00 0.00 N ATOM 916 CA TRP A 60 -0.397 7.336 5.887 1.00 0.00 C ATOM 917 C TRP A 60 -1.182 8.566 6.347 1.00 0.00 C ATOM 918 O TRP A 60 -2.308 8.790 5.906 1.00 0.00 O ATOM 919 CB TRP A 60 -0.689 6.091 6.727 1.00 0.00 C ATOM 920 CG TRP A 60 0.024 4.829 6.238 1.00 0.00 C ATOM 921 CD1 TRP A 60 0.866 4.040 6.919 1.00 0.00 C ATOM 922 CD2 TRP A 60 -0.079 4.238 4.925 1.00 0.00 C ATOM 923 NE1 TRP A 60 1.312 2.989 6.144 1.00 0.00 N ATOM 924 CE2 TRP A 60 0.719 3.112 4.894 1.00 0.00 C ATOM 925 CE3 TRP A 60 -0.823 4.641 3.801 1.00 0.00 C ATOM 926 CZ2 TRP A 60 0.850 2.297 3.763 1.00 0.00 C ATOM 927 CZ3 TRP A 60 -0.680 3.815 2.680 1.00 0.00 C ATOM 928 CH2 TRP A 60 0.119 2.679 2.632 1.00 0.00 C ATOM 0 H TRP A 60 1.571 7.110 6.571 1.00 0.00 H new ATOM 0 HA TRP A 60 -0.710 7.082 4.874 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.396 6.285 7.759 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -1.764 5.911 6.729 1.00 0.00 H new ATOM 0 HD1 TRP A 60 1.159 4.206 7.945 1.00 0.00 H new ATOM 0 HE1 TRP A 60 1.959 2.256 6.436 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.454 5.518 3.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 1.481 1.421 3.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.230 4.079 1.789 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.176 2.094 1.726 1.00 0.00 H new ATOM 939 N ARG A 61 -0.556 9.332 7.230 1.00 0.00 N ATOM 940 CA ARG A 61 -1.182 10.533 7.755 1.00 0.00 C ATOM 941 C ARG A 61 -0.846 11.736 6.872 1.00 0.00 C ATOM 942 O ARG A 61 -0.508 12.806 7.376 1.00 0.00 O ATOM 943 CB ARG A 61 -0.719 10.814 9.186 1.00 0.00 C ATOM 944 CG ARG A 61 -1.404 12.062 9.748 1.00 0.00 C ATOM 945 CD ARG A 61 -0.372 13.104 10.185 1.00 0.00 C ATOM 946 NE ARG A 61 -0.631 13.519 11.582 1.00 0.00 N ATOM 947 CZ ARG A 61 0.156 14.350 12.277 1.00 0.00 C ATOM 948 NH1 ARG A 61 1.258 14.861 11.709 1.00 0.00 N ATOM 949 NH2 ARG A 61 -0.157 14.671 13.539 1.00 0.00 N ATOM 0 H ARG A 61 0.378 9.144 7.594 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.260 10.371 7.759 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.942 9.956 9.820 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.362 10.950 9.202 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.062 12.491 8.993 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.030 11.787 10.597 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.633 12.690 10.100 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.416 13.971 9.525 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.461 13.149 12.044 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.496 14.617 10.748 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.858 15.494 12.238 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.995 14.282 13.971 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.443 15.304 14.068 1.00 0.00 H new ATOM 963 N THR A 62 -0.951 11.521 5.569 1.00 0.00 N ATOM 964 CA THR A 62 -0.662 12.574 4.610 1.00 0.00 C ATOM 965 C THR A 62 -1.251 12.226 3.242 1.00 0.00 C ATOM 966 O THR A 62 -1.947 13.040 2.636 1.00 0.00 O ATOM 967 CB THR A 62 0.852 12.788 4.584 1.00 0.00 C ATOM 968 OG1 THR A 62 1.103 13.636 5.701 1.00 0.00 O ATOM 969 CG2 THR A 62 1.307 13.614 3.379 1.00 0.00 C ATOM 0 H THR A 62 -1.232 10.633 5.154 1.00 0.00 H new ATOM 0 HA THR A 62 -1.132 13.514 4.901 1.00 0.00 H new ATOM 0 HB THR A 62 1.354 11.821 4.571 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.271 13.775 6.200 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.390 13.736 3.409 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.025 13.101 2.459 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.831 14.594 3.409 1.00 0.00 H new ATOM 977 N TYR A 63 -0.949 11.016 2.794 1.00 0.00 N ATOM 978 CA TYR A 63 -1.440 10.550 1.508 1.00 0.00 C ATOM 979 C TYR A 63 -2.510 9.472 1.687 1.00 0.00 C ATOM 980 O TYR A 63 -2.644 8.898 2.767 1.00 0.00 O ATOM 981 CB TYR A 63 -0.233 9.940 0.792 1.00 0.00 C ATOM 982 CG TYR A 63 0.790 10.971 0.309 1.00 0.00 C ATOM 983 CD1 TYR A 63 0.625 11.584 -0.917 1.00 0.00 C ATOM 984 CD2 TYR A 63 1.877 11.286 1.097 1.00 0.00 C ATOM 985 CE1 TYR A 63 1.587 12.554 -1.372 1.00 0.00 C ATOM 986 CE2 TYR A 63 2.840 12.256 0.642 1.00 0.00 C ATOM 987 CZ TYR A 63 2.647 12.842 -0.570 1.00 0.00 C ATOM 988 OH TYR A 63 3.556 13.757 -1.000 1.00 0.00 O ATOM 0 H TYR A 63 -0.371 10.344 3.299 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.888 11.371 0.948 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.262 9.241 1.466 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.584 9.363 -0.064 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.225 11.336 -1.535 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.006 10.805 2.055 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.469 13.042 -2.328 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.696 12.512 1.249 1.00 0.00 H new ATOM 0 HH TYR A 63 4.258 13.863 -0.325 1.00 0.00 H new ATOM 998 N HIS A 64 -3.245 9.228 0.612 1.00 0.00 N ATOM 999 CA HIS A 64 -4.299 8.229 0.637 1.00 0.00 C ATOM 1000 C HIS A 64 -4.280 7.430 -0.667 1.00 0.00 C ATOM 1001 O HIS A 64 -3.648 7.838 -1.640 1.00 0.00 O ATOM 1002 CB HIS A 64 -5.657 8.878 0.915 1.00 0.00 C ATOM 1003 CG HIS A 64 -5.870 9.264 2.359 1.00 0.00 C ATOM 1004 ND1 HIS A 64 -6.435 8.408 3.288 1.00 0.00 N ATOM 1005 CD2 HIS A 64 -5.586 10.421 3.023 1.00 0.00 C ATOM 1006 CE1 HIS A 64 -6.486 9.033 4.455 1.00 0.00 C ATOM 1007 NE2 HIS A 64 -5.959 10.280 4.289 1.00 0.00 N ATOM 0 H HIS A 64 -3.131 9.705 -0.282 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.122 7.529 1.454 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.757 9.768 0.293 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.446 8.189 0.614 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -6.757 7.458 3.105 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.134 11.302 2.592 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.876 8.626 5.376 1.00 0.00 H new ATOM 1015 N LEU A 65 -4.979 6.305 -0.645 1.00 0.00 N ATOM 1016 CA LEU A 65 -5.050 5.444 -1.813 1.00 0.00 C ATOM 1017 C LEU A 65 -6.289 5.808 -2.635 1.00 0.00 C ATOM 1018 O LEU A 65 -7.358 6.051 -2.077 1.00 0.00 O ATOM 1019 CB LEU A 65 -4.997 3.972 -1.399 1.00 0.00 C ATOM 1020 CG LEU A 65 -3.987 3.619 -0.305 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -4.230 2.207 0.230 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -2.552 3.804 -0.804 1.00 0.00 C ATOM 0 H LEU A 65 -5.502 5.970 0.164 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.183 5.601 -2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.989 3.675 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.770 3.375 -2.282 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.130 4.308 0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.499 1.981 1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.235 2.144 0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.130 1.488 -0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.854 3.547 -0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.379 3.155 -1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.400 4.843 -1.098 1.00 0.00 H new ATOM 1034 N THR A 66 -6.104 5.833 -3.946 1.00 0.00 N ATOM 1035 CA THR A 66 -7.193 6.163 -4.850 1.00 0.00 C ATOM 1036 C THR A 66 -7.263 5.149 -5.993 1.00 0.00 C ATOM 1037 O THR A 66 -6.325 4.383 -6.207 1.00 0.00 O ATOM 1038 CB THR A 66 -6.993 7.603 -5.326 1.00 0.00 C ATOM 1039 OG1 THR A 66 -7.771 7.686 -6.517 1.00 0.00 O ATOM 1040 CG2 THR A 66 -5.562 7.870 -5.797 1.00 0.00 C ATOM 0 H THR A 66 -5.216 5.630 -4.405 1.00 0.00 H new ATOM 0 HA THR A 66 -8.157 6.104 -4.346 1.00 0.00 H new ATOM 0 HB THR A 66 -7.244 8.291 -4.518 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.700 8.589 -6.892 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.474 8.906 -6.124 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.869 7.689 -4.976 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.322 7.206 -6.627 1.00 0.00 H new ATOM 1048 N SER A 67 -8.384 5.177 -6.698 1.00 0.00 N ATOM 1049 CA SER A 67 -8.589 4.269 -7.814 1.00 0.00 C ATOM 1050 C SER A 67 -9.763 4.750 -8.671 1.00 0.00 C ATOM 1051 O SER A 67 -10.820 5.092 -8.144 1.00 0.00 O ATOM 1052 CB SER A 67 -8.839 2.841 -7.325 1.00 0.00 C ATOM 1053 OG SER A 67 -9.688 2.115 -8.209 1.00 0.00 O ATOM 0 H SER A 67 -9.160 5.814 -6.518 1.00 0.00 H new ATOM 0 HA SER A 67 -7.683 4.263 -8.420 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.887 2.320 -7.227 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.290 2.871 -6.333 1.00 0.00 H new ATOM 0 HG SER A 67 -10.557 1.967 -7.780 1.00 0.00 H new ATOM 1059 N ALA A 68 -9.537 4.759 -9.976 1.00 0.00 N ATOM 1060 CA ALA A 68 -10.562 5.191 -10.910 1.00 0.00 C ATOM 1061 C ALA A 68 -10.789 6.696 -10.751 1.00 0.00 C ATOM 1062 O ALA A 68 -10.513 7.470 -11.666 1.00 0.00 O ATOM 1063 CB ALA A 68 -11.839 4.381 -10.678 1.00 0.00 C ATOM 0 H ALA A 68 -8.659 4.474 -10.409 1.00 0.00 H new ATOM 0 HA ALA A 68 -10.245 5.012 -11.937 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.608 4.705 -11.379 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.631 3.322 -10.832 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -12.189 4.538 -9.658 1.00 0.00 H new ATOM 1069 N GLY A 69 -11.291 7.066 -9.581 1.00 0.00 N ATOM 1070 CA GLY A 69 -11.558 8.464 -9.291 1.00 0.00 C ATOM 1071 C GLY A 69 -12.335 8.613 -7.981 1.00 0.00 C ATOM 1072 O GLY A 69 -13.224 9.456 -7.875 1.00 0.00 O ATOM 0 H GLY A 69 -11.519 6.422 -8.824 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.618 9.011 -9.225 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.128 8.906 -10.108 1.00 0.00 H new ATOM 1076 N GLU A 70 -11.971 7.781 -7.016 1.00 0.00 N ATOM 1077 CA GLU A 70 -12.623 7.809 -5.718 1.00 0.00 C ATOM 1078 C GLU A 70 -11.588 7.656 -4.601 1.00 0.00 C ATOM 1079 O GLU A 70 -10.818 6.697 -4.591 1.00 0.00 O ATOM 1080 CB GLU A 70 -13.699 6.725 -5.621 1.00 0.00 C ATOM 1081 CG GLU A 70 -14.962 7.138 -6.378 1.00 0.00 C ATOM 1082 CD GLU A 70 -15.599 5.936 -7.079 1.00 0.00 C ATOM 1083 OE1 GLU A 70 -15.806 4.918 -6.383 1.00 0.00 O ATOM 1084 OE2 GLU A 70 -15.864 6.062 -8.293 1.00 0.00 O ATOM 0 H GLU A 70 -11.233 7.083 -7.107 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.115 8.774 -5.601 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.316 5.790 -6.029 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.942 6.541 -4.574 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.677 7.580 -5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.715 7.904 -7.113 1.00 0.00 H new ATOM 1091 N LYS A 71 -11.604 8.616 -3.688 1.00 0.00 N ATOM 1092 CA LYS A 71 -10.677 8.600 -2.569 1.00 0.00 C ATOM 1093 C LYS A 71 -10.974 7.389 -1.684 1.00 0.00 C ATOM 1094 O LYS A 71 -12.025 7.323 -1.047 1.00 0.00 O ATOM 1095 CB LYS A 71 -10.717 9.934 -1.821 1.00 0.00 C ATOM 1096 CG LYS A 71 -10.369 11.096 -2.753 1.00 0.00 C ATOM 1097 CD LYS A 71 -10.001 12.348 -1.954 1.00 0.00 C ATOM 1098 CE LYS A 71 -8.707 12.973 -2.480 1.00 0.00 C ATOM 1099 NZ LYS A 71 -8.655 14.414 -2.148 1.00 0.00 N ATOM 0 H LYS A 71 -12.244 9.410 -3.700 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.652 8.491 -2.924 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.709 10.088 -1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.015 9.909 -0.988 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.536 10.813 -3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.217 11.311 -3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.811 13.074 -2.016 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.883 12.091 -0.901 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.847 12.463 -2.046 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.645 12.840 -3.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.771 14.822 -2.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.465 14.900 -2.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.692 14.534 -1.116 1.00 0.00 H new ATOM 1113 N LEU A 72 -10.030 6.459 -1.671 1.00 0.00 N ATOM 1114 CA LEU A 72 -10.177 5.254 -0.873 1.00 0.00 C ATOM 1115 C LEU A 72 -9.796 5.557 0.577 1.00 0.00 C ATOM 1116 O LEU A 72 -8.690 5.238 1.012 1.00 0.00 O ATOM 1117 CB LEU A 72 -9.381 4.102 -1.490 1.00 0.00 C ATOM 1118 CG LEU A 72 -9.526 3.922 -3.003 1.00 0.00 C ATOM 1119 CD1 LEU A 72 -8.347 3.132 -3.576 1.00 0.00 C ATOM 1120 CD2 LEU A 72 -10.870 3.279 -3.352 1.00 0.00 C ATOM 0 H LEU A 72 -9.160 6.516 -2.201 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.216 4.926 -0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.326 4.252 -1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.684 3.175 -1.003 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.510 4.908 -3.468 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.474 3.018 -4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.419 3.667 -3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.307 2.148 -3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.948 3.162 -4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.940 2.301 -2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.681 3.915 -2.997 1.00 0.00 H new ATOM 1132 N THR A 73 -10.733 6.170 1.286 1.00 0.00 N ATOM 1133 CA THR A 73 -10.509 6.520 2.678 1.00 0.00 C ATOM 1134 C THR A 73 -11.126 5.465 3.599 1.00 0.00 C ATOM 1135 O THR A 73 -10.462 4.960 4.503 1.00 0.00 O ATOM 1136 CB THR A 73 -11.065 7.926 2.908 1.00 0.00 C ATOM 1137 OG1 THR A 73 -12.476 7.735 2.972 1.00 0.00 O ATOM 1138 CG2 THR A 73 -10.868 8.839 1.696 1.00 0.00 C ATOM 0 H THR A 73 -11.649 6.433 0.922 1.00 0.00 H new ATOM 0 HA THR A 73 -9.445 6.533 2.916 1.00 0.00 H new ATOM 0 HB THR A 73 -10.582 8.369 3.779 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.916 8.598 3.121 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.280 9.825 1.912 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.804 8.930 1.479 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.379 8.413 0.833 1.00 0.00 H new ATOM 1146 N GLU A 74 -12.389 5.162 3.337 1.00 0.00 N ATOM 1147 CA GLU A 74 -13.102 4.177 4.131 1.00 0.00 C ATOM 1148 C GLU A 74 -12.283 2.889 4.239 1.00 0.00 C ATOM 1149 O GLU A 74 -11.734 2.413 3.247 1.00 0.00 O ATOM 1150 CB GLU A 74 -14.487 3.898 3.543 1.00 0.00 C ATOM 1151 CG GLU A 74 -15.589 4.257 4.542 1.00 0.00 C ATOM 1152 CD GLU A 74 -16.741 4.988 3.849 1.00 0.00 C ATOM 1153 OE1 GLU A 74 -16.572 6.200 3.593 1.00 0.00 O ATOM 1154 OE2 GLU A 74 -17.764 4.318 3.590 1.00 0.00 O ATOM 0 H GLU A 74 -12.937 5.582 2.586 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.243 4.580 5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.620 4.474 2.627 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.566 2.845 3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.963 3.350 5.018 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.178 4.885 5.332 1.00 0.00 H new ATOM 1161 N ASP A 75 -12.228 2.361 5.454 1.00 0.00 N ATOM 1162 CA ASP A 75 -11.485 1.138 5.705 1.00 0.00 C ATOM 1163 C ASP A 75 -12.462 -0.036 5.801 1.00 0.00 C ATOM 1164 O ASP A 75 -12.204 -1.109 5.257 1.00 0.00 O ATOM 1165 CB ASP A 75 -10.716 1.222 7.024 1.00 0.00 C ATOM 1166 CG ASP A 75 -10.845 2.554 7.765 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -10.032 3.454 7.459 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -11.752 2.643 8.619 1.00 0.00 O ATOM 0 H ASP A 75 -12.686 2.758 6.274 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.780 0.997 4.885 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.062 0.424 7.680 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.661 1.035 6.824 1.00 0.00 H new ATOM 1173 N ARG A 76 -13.563 0.207 6.496 1.00 0.00 N ATOM 1174 CA ARG A 76 -14.580 -0.816 6.670 1.00 0.00 C ATOM 1175 C ARG A 76 -15.165 -1.219 5.314 1.00 0.00 C ATOM 1176 O ARG A 76 -15.846 -2.238 5.206 1.00 0.00 O ATOM 1177 CB ARG A 76 -15.708 -0.323 7.578 1.00 0.00 C ATOM 1178 CG ARG A 76 -15.422 -0.665 9.042 1.00 0.00 C ATOM 1179 CD ARG A 76 -15.714 -2.139 9.328 1.00 0.00 C ATOM 1180 NE ARG A 76 -15.175 -2.514 10.654 1.00 0.00 N ATOM 1181 CZ ARG A 76 -14.970 -3.777 11.052 1.00 0.00 C ATOM 1182 NH1 ARG A 76 -15.258 -4.794 10.229 1.00 0.00 N ATOM 1183 NH2 ARG A 76 -14.477 -4.023 12.274 1.00 0.00 N ATOM 0 H ARG A 76 -13.773 1.098 6.946 1.00 0.00 H new ATOM 0 HA ARG A 76 -14.105 -1.679 7.136 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -15.823 0.755 7.468 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -16.651 -0.777 7.272 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.380 -0.446 9.273 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -16.032 -0.037 9.692 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -16.789 -2.317 9.300 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -15.267 -2.764 8.555 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.945 -1.764 11.306 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -15.633 -4.607 9.299 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -15.102 -5.755 10.532 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -14.258 -3.249 12.901 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -14.321 -4.984 12.577 1.00 0.00 H new ATOM 1197 N LYS A 77 -14.879 -0.398 4.315 1.00 0.00 N ATOM 1198 CA LYS A 77 -15.369 -0.655 2.971 1.00 0.00 C ATOM 1199 C LYS A 77 -14.372 -1.552 2.233 1.00 0.00 C ATOM 1200 O LYS A 77 -13.170 -1.291 2.245 1.00 0.00 O ATOM 1201 CB LYS A 77 -15.665 0.660 2.248 1.00 0.00 C ATOM 1202 CG LYS A 77 -16.284 0.401 0.872 1.00 0.00 C ATOM 1203 CD LYS A 77 -17.176 1.568 0.444 1.00 0.00 C ATOM 1204 CE LYS A 77 -18.345 1.079 -0.413 1.00 0.00 C ATOM 1205 NZ LYS A 77 -19.383 2.128 -0.521 1.00 0.00 N ATOM 0 H LYS A 77 -14.314 0.446 4.409 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.317 -1.192 3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.345 1.265 2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.744 1.232 2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.494 0.253 0.136 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -16.870 -0.518 0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.557 2.082 1.327 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.587 2.293 -0.117 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -17.987 0.809 -1.407 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.774 0.178 0.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.169 1.780 -1.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.736 2.366 0.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -18.974 2.977 -0.961 1.00 0.00 H new ATOM 1219 N LYS A 78 -14.909 -2.590 1.609 1.00 0.00 N ATOM 1220 CA LYS A 78 -14.082 -3.527 0.868 1.00 0.00 C ATOM 1221 C LYS A 78 -13.700 -2.909 -0.479 1.00 0.00 C ATOM 1222 O LYS A 78 -14.451 -2.107 -1.033 1.00 0.00 O ATOM 1223 CB LYS A 78 -14.783 -4.881 0.746 1.00 0.00 C ATOM 1224 CG LYS A 78 -15.018 -5.503 2.124 1.00 0.00 C ATOM 1225 CD LYS A 78 -16.345 -6.264 2.163 1.00 0.00 C ATOM 1226 CE LYS A 78 -16.304 -7.385 3.204 1.00 0.00 C ATOM 1227 NZ LYS A 78 -16.118 -6.824 4.561 1.00 0.00 N ATOM 0 H LYS A 78 -15.907 -2.803 1.601 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.154 -3.722 1.405 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.736 -4.756 0.232 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -14.179 -5.554 0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.199 -6.180 2.366 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -15.020 -4.722 2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -17.157 -5.575 2.397 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -16.557 -6.684 1.180 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -17.229 -7.960 3.165 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.491 -8.074 2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -16.227 -7.580 5.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.166 -6.412 4.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.830 -6.085 4.732 1.00 0.00 H new ATOM 1241 N LEU A 79 -12.534 -3.304 -0.966 1.00 0.00 N ATOM 1242 CA LEU A 79 -12.043 -2.799 -2.237 1.00 0.00 C ATOM 1243 C LEU A 79 -13.028 -3.178 -3.346 1.00 0.00 C ATOM 1244 O LEU A 79 -13.324 -2.367 -4.221 1.00 0.00 O ATOM 1245 CB LEU A 79 -10.615 -3.283 -2.491 1.00 0.00 C ATOM 1246 CG LEU A 79 -9.654 -3.191 -1.304 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -8.238 -3.604 -1.711 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -9.687 -1.795 -0.680 1.00 0.00 C ATOM 0 H LEU A 79 -11.914 -3.969 -0.503 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.986 -1.711 -2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.658 -4.322 -2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.198 -2.705 -3.316 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.986 -3.894 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.575 -3.529 -0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.249 -4.632 -2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.880 -2.945 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.995 -1.756 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.393 -1.056 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.696 -1.576 -0.331 1.00 0.00 H new ATOM 1260 N ARG A 80 -13.506 -4.411 -3.272 1.00 0.00 N ATOM 1261 CA ARG A 80 -14.451 -4.908 -4.258 1.00 0.00 C ATOM 1262 C ARG A 80 -15.682 -4.001 -4.318 1.00 0.00 C ATOM 1263 O ARG A 80 -16.314 -3.875 -5.365 1.00 0.00 O ATOM 1264 CB ARG A 80 -14.893 -6.335 -3.928 1.00 0.00 C ATOM 1265 CG ARG A 80 -15.158 -6.494 -2.429 1.00 0.00 C ATOM 1266 CD ARG A 80 -16.343 -7.428 -2.179 1.00 0.00 C ATOM 1267 NE ARG A 80 -17.203 -6.879 -1.106 1.00 0.00 N ATOM 1268 CZ ARG A 80 -18.355 -7.436 -0.707 1.00 0.00 C ATOM 1269 NH1 ARG A 80 -18.792 -8.560 -1.289 1.00 0.00 N ATOM 1270 NH2 ARG A 80 -19.069 -6.867 0.274 1.00 0.00 N ATOM 0 H ARG A 80 -13.257 -5.081 -2.544 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.949 -4.910 -5.226 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -15.796 -6.579 -4.488 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -14.123 -7.040 -4.242 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.269 -6.890 -1.939 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -15.359 -5.519 -1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -16.922 -7.548 -3.095 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.983 -8.418 -1.898 1.00 0.00 H new ATOM 0 HE ARG A 80 -16.900 -6.023 -0.641 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -18.248 -8.992 -2.036 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -19.669 -8.984 -0.985 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -18.736 -6.011 0.717 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -19.946 -7.290 0.578 1.00 0.00 H new ATOM 1284 N ASP A 81 -15.985 -3.393 -3.180 1.00 0.00 N ATOM 1285 CA ASP A 81 -17.129 -2.501 -3.090 1.00 0.00 C ATOM 1286 C ASP A 81 -16.765 -1.148 -3.706 1.00 0.00 C ATOM 1287 O ASP A 81 -17.644 -0.334 -3.985 1.00 0.00 O ATOM 1288 CB ASP A 81 -17.529 -2.265 -1.633 1.00 0.00 C ATOM 1289 CG ASP A 81 -18.885 -2.850 -1.232 1.00 0.00 C ATOM 1290 OD1 ASP A 81 -19.665 -3.161 -2.157 1.00 0.00 O ATOM 1291 OD2 ASP A 81 -19.110 -2.972 -0.008 1.00 0.00 O ATOM 0 H ASP A 81 -15.458 -3.500 -2.313 1.00 0.00 H new ATOM 0 HA ASP A 81 -17.960 -2.963 -3.622 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.761 -2.691 -0.987 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -17.543 -1.191 -1.445 1.00 0.00 H new ATOM 1296 N TYR A 82 -15.470 -0.951 -3.899 1.00 0.00 N ATOM 1297 CA TYR A 82 -14.979 0.289 -4.477 1.00 0.00 C ATOM 1298 C TYR A 82 -14.743 0.137 -5.981 1.00 0.00 C ATOM 1299 O TYR A 82 -14.339 1.089 -6.648 1.00 0.00 O ATOM 1300 CB TYR A 82 -13.643 0.576 -3.789 1.00 0.00 C ATOM 1301 CG TYR A 82 -13.700 1.717 -2.771 1.00 0.00 C ATOM 1302 CD1 TYR A 82 -13.872 3.017 -3.202 1.00 0.00 C ATOM 1303 CD2 TYR A 82 -13.579 1.447 -1.423 1.00 0.00 C ATOM 1304 CE1 TYR A 82 -13.925 4.091 -2.245 1.00 0.00 C ATOM 1305 CE2 TYR A 82 -13.632 2.521 -0.466 1.00 0.00 C ATOM 1306 CZ TYR A 82 -13.802 3.791 -0.924 1.00 0.00 C ATOM 1307 OH TYR A 82 -13.852 4.805 -0.020 1.00 0.00 O ATOM 0 H TYR A 82 -14.745 -1.629 -3.666 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.703 1.092 -4.335 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -13.303 -0.329 -3.286 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.899 0.817 -4.548 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -13.967 3.228 -4.257 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.445 0.430 -1.086 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.059 5.113 -2.569 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.539 2.323 0.592 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.302 5.552 -0.336 1.00 0.00 H new ATOM 1317 N GLY A 83 -15.004 -1.066 -6.470 1.00 0.00 N ATOM 1318 CA GLY A 83 -14.824 -1.354 -7.883 1.00 0.00 C ATOM 1319 C GLY A 83 -13.449 -1.972 -8.146 1.00 0.00 C ATOM 1320 O GLY A 83 -13.171 -2.427 -9.254 1.00 0.00 O ATOM 0 H GLY A 83 -15.339 -1.853 -5.913 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -15.604 -2.036 -8.221 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.931 -0.436 -8.461 1.00 0.00 H new ATOM 1324 N ILE A 84 -12.626 -1.969 -7.108 1.00 0.00 N ATOM 1325 CA ILE A 84 -11.287 -2.523 -7.212 1.00 0.00 C ATOM 1326 C ILE A 84 -11.365 -4.050 -7.141 1.00 0.00 C ATOM 1327 O ILE A 84 -11.947 -4.602 -6.209 1.00 0.00 O ATOM 1328 CB ILE A 84 -10.367 -1.905 -6.158 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -10.300 -0.384 -6.313 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -8.979 -2.547 -6.198 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -9.490 0.247 -5.179 1.00 0.00 C ATOM 0 H ILE A 84 -12.861 -1.591 -6.190 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.844 -2.270 -8.175 1.00 0.00 H new ATOM 0 HB ILE A 84 -10.788 -2.110 -5.174 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.847 -0.132 -7.272 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.309 0.029 -6.318 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.345 -2.090 -5.439 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.067 -3.616 -6.002 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.535 -2.394 -7.182 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.458 1.328 -5.313 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.959 0.013 -4.223 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.475 -0.151 -5.192 1.00 0.00 H new ATOM 1343 N ARG A 85 -10.770 -4.688 -8.139 1.00 0.00 N ATOM 1344 CA ARG A 85 -10.765 -6.140 -8.201 1.00 0.00 C ATOM 1345 C ARG A 85 -9.332 -6.660 -8.326 1.00 0.00 C ATOM 1346 O ARG A 85 -8.378 -5.888 -8.250 1.00 0.00 O ATOM 1347 CB ARG A 85 -11.589 -6.643 -9.388 1.00 0.00 C ATOM 1348 CG ARG A 85 -13.056 -6.230 -9.252 1.00 0.00 C ATOM 1349 CD ARG A 85 -13.738 -6.995 -8.116 1.00 0.00 C ATOM 1350 NE ARG A 85 -15.119 -6.498 -7.929 1.00 0.00 N ATOM 1351 CZ ARG A 85 -16.166 -6.893 -8.666 1.00 0.00 C ATOM 1352 NH1 ARG A 85 -15.995 -7.793 -9.644 1.00 0.00 N ATOM 1353 NH2 ARG A 85 -17.384 -6.388 -8.426 1.00 0.00 N ATOM 0 H ARG A 85 -10.288 -4.226 -8.911 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.212 -6.514 -7.280 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -11.179 -6.243 -10.315 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.518 -7.729 -9.451 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.120 -5.158 -9.063 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -13.579 -6.420 -10.189 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -13.754 -8.061 -8.343 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -13.171 -6.874 -7.193 1.00 0.00 H new ATOM 0 HE ARG A 85 -15.284 -5.812 -7.193 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -15.068 -8.177 -9.827 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -16.792 -8.094 -10.205 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -17.514 -5.703 -7.682 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -18.181 -6.689 -8.987 1.00 0.00 H new ATOM 1367 N ASN A 86 -9.226 -7.968 -8.514 1.00 0.00 N ATOM 1368 CA ASN A 86 -7.925 -8.601 -8.650 1.00 0.00 C ATOM 1369 C ASN A 86 -7.232 -8.068 -9.906 1.00 0.00 C ATOM 1370 O ASN A 86 -7.880 -7.830 -10.924 1.00 0.00 O ATOM 1371 CB ASN A 86 -8.063 -10.118 -8.795 1.00 0.00 C ATOM 1372 CG ASN A 86 -9.135 -10.475 -9.827 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -10.321 -10.503 -9.544 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -8.652 -10.746 -11.036 1.00 0.00 N ATOM 0 H ASN A 86 -10.019 -8.606 -8.575 1.00 0.00 H new ATOM 0 HA ASN A 86 -7.345 -8.375 -7.755 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -7.107 -10.547 -9.095 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -8.320 -10.557 -7.831 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -9.287 -10.996 -11.794 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -7.647 -10.704 -11.205 1.00 0.00 H new ATOM 1381 N ARG A 87 -5.923 -7.895 -9.793 1.00 0.00 N ATOM 1382 CA ARG A 87 -5.135 -7.395 -10.906 1.00 0.00 C ATOM 1383 C ARG A 87 -5.606 -5.994 -11.303 1.00 0.00 C ATOM 1384 O ARG A 87 -5.938 -5.752 -12.462 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.241 -8.323 -12.117 1.00 0.00 C ATOM 1386 CG ARG A 87 -4.292 -9.515 -11.979 1.00 0.00 C ATOM 1387 CD ARG A 87 -4.152 -10.261 -13.308 1.00 0.00 C ATOM 1388 NE ARG A 87 -2.722 -10.403 -13.661 1.00 0.00 N ATOM 1389 CZ ARG A 87 -2.269 -11.154 -14.674 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -3.131 -11.836 -15.440 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -0.953 -11.223 -14.921 1.00 0.00 N ATOM 0 H ARG A 87 -5.389 -8.092 -8.947 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.095 -7.355 -10.584 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.266 -8.680 -12.218 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.005 -7.769 -13.026 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.313 -9.169 -11.647 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.666 -10.195 -11.214 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.616 -11.245 -13.233 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.677 -9.720 -14.095 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.038 -9.897 -13.098 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.132 -11.784 -15.252 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.786 -12.408 -16.211 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.297 -10.704 -14.338 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.608 -11.795 -15.692 1.00 0.00 H new ATOM 1405 N ASP A 88 -5.622 -5.108 -10.318 1.00 0.00 N ATOM 1406 CA ASP A 88 -6.047 -3.739 -10.549 1.00 0.00 C ATOM 1407 C ASP A 88 -4.874 -2.793 -10.284 1.00 0.00 C ATOM 1408 O ASP A 88 -3.826 -3.218 -9.800 1.00 0.00 O ATOM 1409 CB ASP A 88 -7.189 -3.350 -9.609 1.00 0.00 C ATOM 1410 CG ASP A 88 -7.947 -2.080 -10.002 1.00 0.00 C ATOM 1411 OD1 ASP A 88 -7.684 -1.585 -11.119 1.00 0.00 O ATOM 1412 OD2 ASP A 88 -8.773 -1.634 -9.177 1.00 0.00 O ATOM 0 H ASP A 88 -5.347 -5.312 -9.357 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.388 -3.662 -11.581 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.897 -4.177 -9.560 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.784 -3.218 -8.606 1.00 0.00 H new ATOM 1417 N GLU A 89 -5.089 -1.528 -10.614 1.00 0.00 N ATOM 1418 CA GLU A 89 -4.062 -0.519 -10.418 1.00 0.00 C ATOM 1419 C GLU A 89 -4.590 0.609 -9.529 1.00 0.00 C ATOM 1420 O GLU A 89 -5.542 1.297 -9.893 1.00 0.00 O ATOM 1421 CB GLU A 89 -3.565 0.026 -11.758 1.00 0.00 C ATOM 1422 CG GLU A 89 -2.976 -1.092 -12.620 1.00 0.00 C ATOM 1423 CD GLU A 89 -3.152 -0.786 -14.109 1.00 0.00 C ATOM 1424 OE1 GLU A 89 -2.735 0.321 -14.514 1.00 0.00 O ATOM 1425 OE2 GLU A 89 -3.698 -1.666 -14.809 1.00 0.00 O ATOM 0 H GLU A 89 -5.959 -1.179 -11.016 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.214 -0.985 -9.916 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.389 0.503 -12.289 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.810 0.793 -11.585 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.917 -1.212 -12.392 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.463 -2.037 -12.379 1.00 0.00 H new ATOM 1432 N VAL A 90 -3.947 0.764 -8.380 1.00 0.00 N ATOM 1433 CA VAL A 90 -4.340 1.797 -7.436 1.00 0.00 C ATOM 1434 C VAL A 90 -3.335 2.949 -7.500 1.00 0.00 C ATOM 1435 O VAL A 90 -2.184 2.753 -7.887 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.477 1.200 -6.034 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -4.274 2.271 -4.960 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -5.828 0.503 -5.865 1.00 0.00 C ATOM 0 H VAL A 90 -3.157 0.192 -8.082 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.317 2.203 -7.699 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.696 0.450 -5.911 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.377 1.820 -3.973 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.278 2.703 -5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.023 3.054 -5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.900 0.087 -4.860 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.631 1.224 -6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.917 -0.300 -6.597 1.00 0.00 H new ATOM 1448 N SER A 91 -3.807 4.125 -7.114 1.00 0.00 N ATOM 1449 CA SER A 91 -2.964 5.309 -7.123 1.00 0.00 C ATOM 1450 C SER A 91 -2.926 5.935 -5.727 1.00 0.00 C ATOM 1451 O SER A 91 -3.799 5.672 -4.902 1.00 0.00 O ATOM 1452 CB SER A 91 -3.459 6.330 -8.149 1.00 0.00 C ATOM 1453 OG SER A 91 -4.798 6.069 -8.559 1.00 0.00 O ATOM 0 H SER A 91 -4.762 4.284 -6.793 1.00 0.00 H new ATOM 0 HA SER A 91 -1.956 5.008 -7.407 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.399 7.331 -7.722 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.804 6.315 -9.020 1.00 0.00 H new ATOM 0 HG SER A 91 -5.077 6.744 -9.213 1.00 0.00 H new ATOM 1459 N PHE A 92 -1.906 6.751 -5.507 1.00 0.00 N ATOM 1460 CA PHE A 92 -1.744 7.416 -4.225 1.00 0.00 C ATOM 1461 C PHE A 92 -2.031 8.914 -4.345 1.00 0.00 C ATOM 1462 O PHE A 92 -1.418 9.605 -5.158 1.00 0.00 O ATOM 1463 CB PHE A 92 -0.287 7.221 -3.802 1.00 0.00 C ATOM 1464 CG PHE A 92 -0.107 6.280 -2.608 1.00 0.00 C ATOM 1465 CD1 PHE A 92 -0.519 6.665 -1.371 1.00 0.00 C ATOM 1466 CD2 PHE A 92 0.466 5.059 -2.785 1.00 0.00 C ATOM 1467 CE1 PHE A 92 -0.352 5.792 -0.263 1.00 0.00 C ATOM 1468 CE2 PHE A 92 0.633 4.186 -1.678 1.00 0.00 C ATOM 1469 CZ PHE A 92 0.220 4.571 -0.440 1.00 0.00 C ATOM 0 H PHE A 92 -1.184 6.967 -6.194 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.439 6.997 -3.497 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.277 6.830 -4.648 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.142 8.192 -3.554 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.973 7.635 -1.231 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.794 4.754 -3.768 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.679 6.098 0.720 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.088 3.217 -1.818 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.346 3.907 0.402 1.00 0.00 H new ATOM 1479 N ILE A 93 -2.963 9.373 -3.523 1.00 0.00 N ATOM 1480 CA ILE A 93 -3.339 10.777 -3.527 1.00 0.00 C ATOM 1481 C ILE A 93 -2.793 11.450 -2.266 1.00 0.00 C ATOM 1482 O ILE A 93 -2.356 10.773 -1.336 1.00 0.00 O ATOM 1483 CB ILE A 93 -4.852 10.926 -3.697 1.00 0.00 C ATOM 1484 CG1 ILE A 93 -5.210 12.316 -4.227 1.00 0.00 C ATOM 1485 CG2 ILE A 93 -5.585 10.603 -2.393 1.00 0.00 C ATOM 1486 CD1 ILE A 93 -6.200 12.222 -5.389 1.00 0.00 C ATOM 0 H ILE A 93 -3.469 8.798 -2.850 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.894 11.288 -4.380 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.185 10.202 -4.441 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.641 12.915 -3.425 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.305 12.828 -4.556 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.659 10.717 -2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.366 9.577 -2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.253 11.285 -1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.437 13.224 -5.747 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.756 11.643 -6.199 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.113 11.732 -5.051 1.00 0.00 H new ATOM 1498 N LYS A 94 -2.835 12.774 -2.274 1.00 0.00 N ATOM 1499 CA LYS A 94 -2.350 13.546 -1.143 1.00 0.00 C ATOM 1500 C LYS A 94 -3.513 14.327 -0.528 1.00 0.00 C ATOM 1501 O LYS A 94 -4.368 14.843 -1.246 1.00 0.00 O ATOM 1502 CB LYS A 94 -1.170 14.426 -1.561 1.00 0.00 C ATOM 1503 CG LYS A 94 -0.711 15.314 -0.403 1.00 0.00 C ATOM 1504 CD LYS A 94 0.187 16.447 -0.903 1.00 0.00 C ATOM 1505 CE LYS A 94 1.538 16.433 -0.185 1.00 0.00 C ATOM 1506 NZ LYS A 94 2.324 17.637 -0.537 1.00 0.00 N ATOM 0 H LYS A 94 -3.198 13.332 -3.047 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.965 12.884 -0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.343 13.798 -1.892 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.458 15.048 -2.409 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.580 15.731 0.106 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.171 14.713 0.329 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.341 16.347 -1.977 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.306 17.405 -0.740 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.383 16.395 0.893 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.093 15.536 -0.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.238 17.612 -0.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.487 17.657 -1.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.800 18.489 -0.253 1.00 0.00 H new ATOM 1520 N LYS A 95 -3.507 14.390 0.795 1.00 0.00 N ATOM 1521 CA LYS A 95 -4.551 15.100 1.515 1.00 0.00 C ATOM 1522 C LYS A 95 -4.584 16.558 1.051 1.00 0.00 C ATOM 1523 O LYS A 95 -3.605 17.060 0.501 1.00 0.00 O ATOM 1524 CB LYS A 95 -4.364 14.940 3.025 1.00 0.00 C ATOM 1525 CG LYS A 95 -4.872 13.576 3.499 1.00 0.00 C ATOM 1526 CD LYS A 95 -5.379 13.651 4.941 1.00 0.00 C ATOM 1527 CE LYS A 95 -4.641 12.650 5.833 1.00 0.00 C ATOM 1528 NZ LYS A 95 -3.769 13.360 6.796 1.00 0.00 N ATOM 0 H LYS A 95 -2.796 13.961 1.388 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.528 14.671 1.290 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.309 15.047 3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.899 15.733 3.547 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.675 13.235 2.845 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.070 12.841 3.429 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.239 14.660 5.328 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.449 13.446 4.965 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.361 12.033 6.371 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.042 11.978 5.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.683 12.797 7.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.827 13.496 6.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.184 14.286 7.022 1.00 0.00 H new ATOM 1542 N LEU A 96 -5.720 17.196 1.290 1.00 0.00 N ATOM 1543 CA LEU A 96 -5.893 18.586 0.903 1.00 0.00 C ATOM 1544 C LEU A 96 -5.521 18.750 -0.572 1.00 0.00 C ATOM 1545 O LEU A 96 -5.107 17.792 -1.222 1.00 0.00 O ATOM 1546 CB LEU A 96 -5.109 19.505 1.842 1.00 0.00 C ATOM 1547 CG LEU A 96 -5.821 20.789 2.272 1.00 0.00 C ATOM 1548 CD1 LEU A 96 -6.864 20.501 3.353 1.00 0.00 C ATOM 1549 CD2 LEU A 96 -4.813 21.852 2.716 1.00 0.00 C ATOM 0 H LEU A 96 -6.530 16.776 1.747 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.937 18.883 1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.849 18.940 2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.173 19.778 1.354 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.353 21.190 1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.356 21.430 3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.606 19.803 2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.375 20.064 4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.345 22.755 3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.234 21.475 3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.142 22.085 1.889 1.00 0.00 H new ATOM 1561 N GLY A 97 -5.682 19.973 -1.057 1.00 0.00 N ATOM 1562 CA GLY A 97 -5.368 20.275 -2.443 1.00 0.00 C ATOM 1563 C GLY A 97 -3.922 20.756 -2.585 1.00 0.00 C ATOM 1564 O GLY A 97 -3.636 21.938 -2.395 1.00 0.00 O ATOM 0 H GLY A 97 -6.026 20.766 -0.515 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.522 19.387 -3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.048 21.041 -2.815 1.00 0.00 H new ATOM 1568 N GLN A 98 -3.050 19.817 -2.918 1.00 0.00 N ATOM 1569 CA GLN A 98 -1.641 20.130 -3.088 1.00 0.00 C ATOM 1570 C GLN A 98 -0.911 18.955 -3.742 1.00 0.00 C ATOM 1571 O GLN A 98 -1.373 17.817 -3.674 1.00 0.00 O ATOM 1572 CB GLN A 98 -0.996 20.499 -1.750 1.00 0.00 C ATOM 1573 CG GLN A 98 -0.043 21.686 -1.910 1.00 0.00 C ATOM 1574 CD GLN A 98 -0.015 22.541 -0.642 1.00 0.00 C ATOM 1575 OE1 GLN A 98 -0.400 22.114 0.435 1.00 0.00 O ATOM 1576 NE2 GLN A 98 0.462 23.768 -0.827 1.00 0.00 N ATOM 0 H GLN A 98 -3.291 18.838 -3.075 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.558 20.995 -3.745 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.771 20.745 -1.024 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.451 19.641 -1.356 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.961 21.324 -2.131 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.355 22.296 -2.758 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.767 24.062 -1.755 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.523 24.415 -0.041 1.00 0.00 H new ATOM 1585 N LYS A 99 0.216 19.272 -4.362 1.00 0.00 N ATOM 1586 CA LYS A 99 1.014 18.257 -5.028 1.00 0.00 C ATOM 1587 C LYS A 99 2.485 18.679 -5.014 1.00 0.00 C ATOM 1588 O LYS A 99 2.856 19.670 -5.641 1.00 0.00 O ATOM 1589 CB LYS A 99 0.468 17.981 -6.430 1.00 0.00 C ATOM 1590 CG LYS A 99 0.121 19.285 -7.151 1.00 0.00 C ATOM 1591 CD LYS A 99 -1.369 19.344 -7.494 1.00 0.00 C ATOM 1592 CE LYS A 99 -1.682 20.555 -8.374 1.00 0.00 C ATOM 1593 NZ LYS A 99 -2.626 20.183 -9.451 1.00 0.00 N ATOM 0 H LYS A 99 0.595 20.217 -4.417 1.00 0.00 H new ATOM 0 HA LYS A 99 0.948 17.310 -4.492 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.207 17.427 -7.009 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.420 17.352 -6.361 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.386 20.134 -6.521 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.711 19.368 -8.064 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -1.664 18.430 -8.009 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -1.955 19.396 -6.576 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -2.110 21.352 -7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -0.761 20.944 -8.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.828 21.017 -10.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.204 19.437 -10.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.511 19.833 -9.031 1.00 0.00 H new ATOM 1607 N SER A 100 3.282 17.907 -4.291 1.00 0.00 N ATOM 1608 CA SER A 100 4.704 18.188 -4.186 1.00 0.00 C ATOM 1609 C SER A 100 5.459 16.923 -3.775 1.00 0.00 C ATOM 1610 O SER A 100 4.889 16.032 -3.147 1.00 0.00 O ATOM 1611 CB SER A 100 4.970 19.315 -3.185 1.00 0.00 C ATOM 1612 OG SER A 100 5.842 20.307 -3.718 1.00 0.00 O ATOM 0 H SER A 100 2.970 17.086 -3.772 1.00 0.00 H new ATOM 0 HA SER A 100 5.061 18.514 -5.163 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.025 19.778 -2.901 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.407 18.898 -2.277 1.00 0.00 H new ATOM 0 HG SER A 100 5.986 21.009 -3.050 1.00 0.00 H new ATOM 1618 N GLY A 101 6.731 16.885 -4.145 1.00 0.00 N ATOM 1619 CA GLY A 101 7.570 15.744 -3.822 1.00 0.00 C ATOM 1620 C GLY A 101 9.035 16.163 -3.679 1.00 0.00 C ATOM 1621 O GLY A 101 9.662 16.582 -4.651 1.00 0.00 O ATOM 0 H GLY A 101 7.201 17.626 -4.665 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.227 15.287 -2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.479 14.989 -4.602 1.00 0.00 H new ATOM 1625 N PRO A 102 9.551 16.032 -2.428 1.00 0.00 N ATOM 1626 CA PRO A 102 10.930 16.392 -2.145 1.00 0.00 C ATOM 1627 C PRO A 102 11.895 15.338 -2.691 1.00 0.00 C ATOM 1628 O PRO A 102 12.852 15.670 -3.388 1.00 0.00 O ATOM 1629 CB PRO A 102 10.997 16.533 -0.633 1.00 0.00 C ATOM 1630 CG PRO A 102 9.783 15.797 -0.091 1.00 0.00 C ATOM 1631 CD PRO A 102 8.838 15.538 -1.253 1.00 0.00 C ATOM 0 HA PRO A 102 11.231 17.320 -2.632 1.00 0.00 H new ATOM 0 HB2 PRO A 102 11.920 16.105 -0.241 1.00 0.00 H new ATOM 0 HB3 PRO A 102 10.982 17.582 -0.338 1.00 0.00 H new ATOM 0 HG2 PRO A 102 10.082 14.858 0.374 1.00 0.00 H new ATOM 0 HG3 PRO A 102 9.289 16.390 0.678 1.00 0.00 H new ATOM 0 HD2 PRO A 102 8.607 14.477 -1.347 1.00 0.00 H new ATOM 0 HD3 PRO A 102 7.890 16.059 -1.117 1.00 0.00 H new ATOM 1639 N SER A 103 11.609 14.089 -2.354 1.00 0.00 N ATOM 1640 CA SER A 103 12.440 12.984 -2.802 1.00 0.00 C ATOM 1641 C SER A 103 13.863 13.149 -2.266 1.00 0.00 C ATOM 1642 O SER A 103 14.512 14.164 -2.519 1.00 0.00 O ATOM 1643 CB SER A 103 12.455 12.890 -4.329 1.00 0.00 C ATOM 1644 OG SER A 103 12.302 11.548 -4.782 1.00 0.00 O ATOM 0 H SER A 103 10.814 13.818 -1.776 1.00 0.00 H new ATOM 0 HA SER A 103 12.017 12.058 -2.412 1.00 0.00 H new ATOM 0 HB2 SER A 103 11.653 13.504 -4.738 1.00 0.00 H new ATOM 0 HB3 SER A 103 13.393 13.296 -4.708 1.00 0.00 H new ATOM 0 HG SER A 103 12.315 11.530 -5.762 1.00 0.00 H new ATOM 1650 N SER A 104 14.308 12.137 -1.536 1.00 0.00 N ATOM 1651 CA SER A 104 15.643 12.158 -0.963 1.00 0.00 C ATOM 1652 C SER A 104 16.338 10.817 -1.208 1.00 0.00 C ATOM 1653 O SER A 104 15.722 9.761 -1.077 1.00 0.00 O ATOM 1654 CB SER A 104 15.594 12.464 0.536 1.00 0.00 C ATOM 1655 OG SER A 104 16.512 13.490 0.901 1.00 0.00 O ATOM 0 H SER A 104 13.768 11.297 -1.328 1.00 0.00 H new ATOM 0 HA SER A 104 16.212 12.950 -1.450 1.00 0.00 H new ATOM 0 HB2 SER A 104 14.584 12.767 0.811 1.00 0.00 H new ATOM 0 HB3 SER A 104 15.820 11.558 1.099 1.00 0.00 H new ATOM 0 HG SER A 104 16.449 13.657 1.865 1.00 0.00 H new ATOM 1661 N GLY A 105 17.613 10.904 -1.560 1.00 0.00 N ATOM 1662 CA GLY A 105 18.399 9.711 -1.826 1.00 0.00 C ATOM 1663 C GLY A 105 17.597 8.697 -2.645 1.00 0.00 C ATOM 1664 O GLY A 105 17.899 7.505 -2.631 1.00 0.00 O ATOM 0 H GLY A 105 18.121 11.782 -1.667 1.00 0.00 H new ATOM 0 HA2 GLY A 105 19.307 9.982 -2.365 1.00 0.00 H new ATOM 0 HA3 GLY A 105 18.710 9.259 -0.884 1.00 0.00 H new TER 1668 GLY A 105