USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=23 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 180:sc= -0.128 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 36:sc= 0.921 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 140:sc= -3.87! (180deg=-7.26!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.983 K(o=-0.98,f=-3.4!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -178:sc= -0.0264 (180deg=-0.0336) USER MOD Single : A 38 GLN : amide:sc= -0.0304 K(o=-0.03,f=1) USER MOD Single : A 40 TYR OH : rot 0:sc= -0.173 USER MOD Single : A 42 GLN : amide:sc= -0.622 X(o=-0.62,f=-0.68) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.269 K(o=-0.27,f=-1.4!) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) 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 -11:sc= 0.15 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.514 USER MOD Single : A 64 HIS : no HD1:sc= -1.02 K(o=-1,f=-0.38) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.376 USER MOD Single : A 67 SER OG : rot -120:sc= -0.404 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot -44:sc= 0.0758 USER MOD Single : A 86 ASN : amide:sc= -1.36 K(o=-1.4,f=-7.5!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.278 K(o=-0.28,f=-2.2!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 40:sc= 0.0587 USER MOD Single : A 103 SER OG : rot 21:sc= 0.129 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.238 -13.117 -5.309 1.00 0.00 N ATOM 2 CA GLY A 1 4.364 -13.641 -6.063 1.00 0.00 C ATOM 3 C GLY A 1 5.114 -14.706 -5.259 1.00 0.00 C ATOM 4 O GLY A 1 4.621 -15.819 -5.086 1.00 0.00 O ATOM 0 H1 GLY A 1 2.746 -12.397 -5.875 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.580 -13.891 -5.085 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.581 -12.688 -4.426 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.010 -14.070 -7.001 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.044 -12.829 -6.320 1.00 0.00 H new ATOM 8 N SER A 2 6.293 -14.326 -4.790 1.00 0.00 N ATOM 9 CA SER A 2 7.115 -15.234 -4.009 1.00 0.00 C ATOM 10 C SER A 2 6.245 -16.004 -3.014 1.00 0.00 C ATOM 11 O SER A 2 5.807 -15.449 -2.007 1.00 0.00 O ATOM 12 CB SER A 2 8.222 -14.478 -3.271 1.00 0.00 C ATOM 13 OG SER A 2 9.316 -15.327 -2.935 1.00 0.00 O ATOM 0 H SER A 2 6.699 -13.402 -4.936 1.00 0.00 H new ATOM 0 HA SER A 2 7.587 -15.941 -4.692 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.578 -13.657 -3.894 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.815 -14.035 -2.362 1.00 0.00 H new ATOM 0 HG SER A 2 10.002 -14.807 -2.467 1.00 0.00 H new ATOM 19 N SER A 3 6.019 -17.271 -3.331 1.00 0.00 N ATOM 20 CA SER A 3 5.208 -18.122 -2.477 1.00 0.00 C ATOM 21 C SER A 3 3.823 -17.502 -2.284 1.00 0.00 C ATOM 22 O SER A 3 3.665 -16.553 -1.518 1.00 0.00 O ATOM 23 CB SER A 3 5.883 -18.347 -1.123 1.00 0.00 C ATOM 24 OG SER A 3 6.463 -19.645 -1.024 1.00 0.00 O ATOM 0 H SER A 3 6.383 -17.728 -4.167 1.00 0.00 H new ATOM 0 HA SER A 3 5.100 -19.091 -2.964 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.655 -17.593 -0.973 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.150 -18.216 -0.327 1.00 0.00 H new ATOM 0 HG SER A 3 6.885 -19.748 -0.146 1.00 0.00 H new ATOM 30 N GLY A 4 2.854 -18.065 -2.991 1.00 0.00 N ATOM 31 CA GLY A 4 1.487 -17.579 -2.906 1.00 0.00 C ATOM 32 C GLY A 4 0.583 -18.307 -3.903 1.00 0.00 C ATOM 33 O GLY A 4 1.056 -18.816 -4.918 1.00 0.00 O ATOM 0 H GLY A 4 2.988 -18.853 -3.625 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.108 -17.723 -1.894 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.465 -16.508 -3.105 1.00 0.00 H new ATOM 37 N SER A 5 -0.701 -18.334 -3.579 1.00 0.00 N ATOM 38 CA SER A 5 -1.675 -18.992 -4.433 1.00 0.00 C ATOM 39 C SER A 5 -2.951 -18.152 -4.515 1.00 0.00 C ATOM 40 O SER A 5 -3.352 -17.730 -5.599 1.00 0.00 O ATOM 41 CB SER A 5 -1.997 -20.397 -3.921 1.00 0.00 C ATOM 42 OG SER A 5 -2.488 -20.379 -2.584 1.00 0.00 O ATOM 0 H SER A 5 -1.090 -17.911 -2.736 1.00 0.00 H new ATOM 0 HA SER A 5 -1.246 -19.088 -5.430 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.738 -20.859 -4.573 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.100 -21.015 -3.969 1.00 0.00 H new ATOM 0 HG SER A 5 -2.683 -21.295 -2.295 1.00 0.00 H new ATOM 48 N SER A 6 -3.553 -17.934 -3.355 1.00 0.00 N ATOM 49 CA SER A 6 -4.776 -17.152 -3.282 1.00 0.00 C ATOM 50 C SER A 6 -4.441 -15.681 -3.023 1.00 0.00 C ATOM 51 O SER A 6 -3.348 -15.362 -2.559 1.00 0.00 O ATOM 52 CB SER A 6 -5.707 -17.685 -2.192 1.00 0.00 C ATOM 53 OG SER A 6 -6.784 -18.445 -2.733 1.00 0.00 O ATOM 0 H SER A 6 -3.217 -18.285 -2.458 1.00 0.00 H new ATOM 0 HA SER A 6 -5.294 -17.237 -4.237 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.137 -18.306 -1.500 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.106 -16.850 -1.616 1.00 0.00 H new ATOM 0 HG SER A 6 -7.354 -18.769 -2.005 1.00 0.00 H new ATOM 59 N GLY A 7 -5.404 -14.825 -3.333 1.00 0.00 N ATOM 60 CA GLY A 7 -5.225 -13.396 -3.139 1.00 0.00 C ATOM 61 C GLY A 7 -5.212 -12.658 -4.480 1.00 0.00 C ATOM 62 O GLY A 7 -5.667 -13.192 -5.490 1.00 0.00 O ATOM 0 H GLY A 7 -6.310 -15.093 -3.717 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.028 -13.007 -2.513 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.290 -13.212 -2.609 1.00 0.00 H new ATOM 66 N MET A 8 -4.685 -11.443 -4.445 1.00 0.00 N ATOM 67 CA MET A 8 -4.607 -10.626 -5.644 1.00 0.00 C ATOM 68 C MET A 8 -3.347 -9.758 -5.635 1.00 0.00 C ATOM 69 O MET A 8 -2.554 -9.819 -4.697 1.00 0.00 O ATOM 70 CB MET A 8 -5.844 -9.730 -5.733 1.00 0.00 C ATOM 71 CG MET A 8 -6.296 -9.279 -4.343 1.00 0.00 C ATOM 72 SD MET A 8 -6.887 -7.596 -4.409 1.00 0.00 S ATOM 73 CE MET A 8 -8.633 -7.871 -4.157 1.00 0.00 C ATOM 0 H MET A 8 -4.308 -11.004 -3.605 1.00 0.00 H new ATOM 0 HA MET A 8 -4.564 -11.287 -6.509 1.00 0.00 H new ATOM 0 HB2 MET A 8 -5.622 -8.858 -6.348 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.653 -10.269 -6.225 1.00 0.00 H new ATOM 0 HG2 MET A 8 -7.085 -9.936 -3.977 1.00 0.00 H new ATOM 0 HG3 MET A 8 -5.467 -9.355 -3.640 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.157 -6.916 -4.170 1.00 0.00 H new ATOM 0 HE2 MET A 8 -9.020 -8.508 -4.953 1.00 0.00 H new ATOM 0 HE3 MET A 8 -8.789 -8.358 -3.194 1.00 0.00 H new ATOM 83 N THR A 9 -3.202 -8.971 -6.690 1.00 0.00 N ATOM 84 CA THR A 9 -2.052 -8.091 -6.816 1.00 0.00 C ATOM 85 C THR A 9 -2.507 -6.644 -7.017 1.00 0.00 C ATOM 86 O THR A 9 -2.838 -6.243 -8.131 1.00 0.00 O ATOM 87 CB THR A 9 -1.177 -8.617 -7.955 1.00 0.00 C ATOM 88 OG1 THR A 9 -0.285 -9.526 -7.316 1.00 0.00 O ATOM 89 CG2 THR A 9 -0.259 -7.539 -8.534 1.00 0.00 C ATOM 0 H THR A 9 -3.862 -8.924 -7.466 1.00 0.00 H new ATOM 0 HA THR A 9 -1.455 -8.087 -5.904 1.00 0.00 H new ATOM 0 HB THR A 9 -1.812 -9.016 -8.746 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.318 -9.916 -7.983 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.340 -7.965 -9.339 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.862 -6.719 -8.925 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.400 -7.163 -7.751 1.00 0.00 H new ATOM 97 N VAL A 10 -2.508 -5.900 -5.920 1.00 0.00 N ATOM 98 CA VAL A 10 -2.916 -4.506 -5.962 1.00 0.00 C ATOM 99 C VAL A 10 -1.684 -3.625 -6.175 1.00 0.00 C ATOM 100 O VAL A 10 -0.881 -3.443 -5.261 1.00 0.00 O ATOM 101 CB VAL A 10 -3.694 -4.151 -4.694 1.00 0.00 C ATOM 102 CG1 VAL A 10 -4.069 -2.667 -4.678 1.00 0.00 C ATOM 103 CG2 VAL A 10 -4.936 -5.032 -4.547 1.00 0.00 C ATOM 0 H VAL A 10 -2.233 -6.236 -4.997 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.590 -4.330 -6.800 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.045 -4.342 -3.839 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.621 -2.441 -3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.163 -2.062 -4.713 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.690 -2.439 -5.544 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.471 -4.758 -3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.588 -4.888 -5.408 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.635 -6.078 -4.490 1.00 0.00 H new ATOM 113 N ARG A 11 -1.573 -3.100 -7.387 1.00 0.00 N ATOM 114 CA ARG A 11 -0.452 -2.242 -7.731 1.00 0.00 C ATOM 115 C ARG A 11 -0.666 -0.837 -7.165 1.00 0.00 C ATOM 116 O ARG A 11 -1.642 -0.169 -7.504 1.00 0.00 O ATOM 117 CB ARG A 11 -0.274 -2.151 -9.248 1.00 0.00 C ATOM 118 CG ARG A 11 0.895 -3.021 -9.716 1.00 0.00 C ATOM 119 CD ARG A 11 0.835 -3.254 -11.227 1.00 0.00 C ATOM 120 NE ARG A 11 2.203 -3.407 -11.770 1.00 0.00 N ATOM 121 CZ ARG A 11 2.484 -3.978 -12.949 1.00 0.00 C ATOM 122 NH1 ARG A 11 1.493 -4.454 -13.715 1.00 0.00 N ATOM 123 NH2 ARG A 11 3.755 -4.073 -13.361 1.00 0.00 N ATOM 0 H ARG A 11 -2.241 -3.252 -8.143 1.00 0.00 H new ATOM 0 HA ARG A 11 0.447 -2.680 -7.296 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.190 -2.469 -9.745 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.099 -1.114 -9.536 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.838 -2.540 -9.456 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.871 -3.978 -9.196 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.247 -4.146 -11.443 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.334 -2.417 -11.713 1.00 0.00 H new ATOM 0 HE ARG A 11 2.981 -3.056 -11.212 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.525 -4.381 -13.400 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.706 -4.889 -14.613 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.509 -3.711 -12.777 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.969 -4.508 -14.259 1.00 0.00 H new ATOM 137 N VAL A 12 0.262 -0.430 -6.311 1.00 0.00 N ATOM 138 CA VAL A 12 0.187 0.883 -5.694 1.00 0.00 C ATOM 139 C VAL A 12 1.111 1.846 -6.442 1.00 0.00 C ATOM 140 O VAL A 12 2.308 1.903 -6.167 1.00 0.00 O ATOM 141 CB VAL A 12 0.511 0.780 -4.203 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.870 2.150 -3.624 1.00 0.00 C ATOM 143 CG2 VAL A 12 -0.648 0.146 -3.432 1.00 0.00 C ATOM 0 H VAL A 12 1.070 -0.987 -6.032 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.825 1.282 -5.766 1.00 0.00 H new ATOM 0 HB VAL A 12 1.380 0.132 -4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.096 2.049 -2.563 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.741 2.548 -4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.029 2.831 -3.752 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.391 0.085 -2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.543 0.756 -3.553 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.837 -0.856 -3.818 1.00 0.00 H new ATOM 153 N CYS A 13 0.519 2.580 -7.374 1.00 0.00 N ATOM 154 CA CYS A 13 1.275 3.538 -8.163 1.00 0.00 C ATOM 155 C CYS A 13 1.518 4.781 -7.306 1.00 0.00 C ATOM 156 O CYS A 13 0.778 5.759 -7.399 1.00 0.00 O ATOM 157 CB CYS A 13 0.561 3.879 -9.473 1.00 0.00 C ATOM 158 SG CYS A 13 1.547 5.091 -10.425 1.00 0.00 S ATOM 0 H CYS A 13 -0.474 2.530 -7.600 1.00 0.00 H new ATOM 0 HA CYS A 13 2.232 3.103 -8.449 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.414 2.974 -10.063 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.428 4.287 -9.263 1.00 0.00 H new ATOM 0 HG CYS A 13 2.813 4.849 -10.256 1.00 0.00 H new ATOM 164 N LYS A 14 2.559 4.703 -6.490 1.00 0.00 N ATOM 165 CA LYS A 14 2.910 5.810 -5.616 1.00 0.00 C ATOM 166 C LYS A 14 2.738 7.127 -6.376 1.00 0.00 C ATOM 167 O LYS A 14 2.789 7.151 -7.604 1.00 0.00 O ATOM 168 CB LYS A 14 4.312 5.612 -5.037 1.00 0.00 C ATOM 169 CG LYS A 14 4.317 4.509 -3.977 1.00 0.00 C ATOM 170 CD LYS A 14 5.496 4.676 -3.017 1.00 0.00 C ATOM 171 CE LYS A 14 6.790 4.147 -3.640 1.00 0.00 C ATOM 172 NZ LYS A 14 7.930 4.353 -2.720 1.00 0.00 N ATOM 0 H LYS A 14 3.171 3.890 -6.416 1.00 0.00 H new ATOM 0 HA LYS A 14 2.239 5.846 -4.758 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.007 5.356 -5.837 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.663 6.546 -4.597 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.382 4.533 -3.418 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.373 3.534 -4.462 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.615 5.729 -2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.291 4.144 -2.088 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.685 3.086 -3.866 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.981 4.657 -4.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.800 3.989 -3.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.040 5.369 -2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.753 3.847 -1.829 1.00 0.00 H new ATOM 186 N MET A 15 2.539 8.192 -5.612 1.00 0.00 N ATOM 187 CA MET A 15 2.360 9.509 -6.198 1.00 0.00 C ATOM 188 C MET A 15 3.530 9.864 -7.117 1.00 0.00 C ATOM 189 O MET A 15 3.337 10.483 -8.163 1.00 0.00 O ATOM 190 CB MET A 15 2.251 10.552 -5.084 1.00 0.00 C ATOM 191 CG MET A 15 3.445 10.464 -4.131 1.00 0.00 C ATOM 192 SD MET A 15 2.924 10.832 -2.464 1.00 0.00 S ATOM 193 CE MET A 15 3.008 9.200 -1.746 1.00 0.00 C ATOM 0 H MET A 15 2.498 8.169 -4.593 1.00 0.00 H new ATOM 0 HA MET A 15 1.446 9.501 -6.792 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.201 11.550 -5.519 1.00 0.00 H new ATOM 0 HB3 MET A 15 1.326 10.400 -4.528 1.00 0.00 H new ATOM 0 HG2 MET A 15 3.881 9.466 -4.173 1.00 0.00 H new ATOM 0 HG3 MET A 15 4.221 11.164 -4.441 1.00 0.00 H new ATOM 0 HE1 MET A 15 2.712 9.248 -0.698 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.335 8.531 -2.283 1.00 0.00 H new ATOM 0 HE3 MET A 15 4.028 8.823 -1.818 1.00 0.00 H new ATOM 203 N ASP A 16 4.718 9.458 -6.694 1.00 0.00 N ATOM 204 CA ASP A 16 5.919 9.725 -7.467 1.00 0.00 C ATOM 205 C ASP A 16 5.773 9.108 -8.859 1.00 0.00 C ATOM 206 O ASP A 16 5.863 9.810 -9.865 1.00 0.00 O ATOM 207 CB ASP A 16 7.150 9.107 -6.802 1.00 0.00 C ATOM 208 CG ASP A 16 8.220 10.108 -6.362 1.00 0.00 C ATOM 209 OD1 ASP A 16 8.648 10.899 -7.230 1.00 0.00 O ATOM 210 OD2 ASP A 16 8.585 10.060 -5.168 1.00 0.00 O ATOM 0 H ASP A 16 4.875 8.946 -5.826 1.00 0.00 H new ATOM 0 HA ASP A 16 6.047 10.806 -7.529 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.826 8.538 -5.930 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.601 8.398 -7.496 1.00 0.00 H new ATOM 215 N GLY A 17 5.550 7.802 -8.872 1.00 0.00 N ATOM 216 CA GLY A 17 5.391 7.083 -10.124 1.00 0.00 C ATOM 217 C GLY A 17 5.570 5.577 -9.918 1.00 0.00 C ATOM 218 O GLY A 17 4.682 4.792 -10.245 1.00 0.00 O ATOM 0 H GLY A 17 5.476 7.223 -8.035 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.403 7.282 -10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.120 7.444 -10.850 1.00 0.00 H new ATOM 222 N GLU A 18 6.726 5.220 -9.378 1.00 0.00 N ATOM 223 CA GLU A 18 7.034 3.823 -9.125 1.00 0.00 C ATOM 224 C GLU A 18 5.851 3.134 -8.441 1.00 0.00 C ATOM 225 O GLU A 18 5.391 3.580 -7.391 1.00 0.00 O ATOM 226 CB GLU A 18 8.307 3.685 -8.288 1.00 0.00 C ATOM 227 CG GLU A 18 8.895 2.277 -8.412 1.00 0.00 C ATOM 228 CD GLU A 18 9.515 1.824 -7.088 1.00 0.00 C ATOM 229 OE1 GLU A 18 8.731 1.611 -6.138 1.00 0.00 O ATOM 230 OE2 GLU A 18 10.758 1.702 -7.057 1.00 0.00 O ATOM 0 H GLU A 18 7.461 5.874 -9.109 1.00 0.00 H new ATOM 0 HA GLU A 18 7.212 3.332 -10.081 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.043 4.420 -8.614 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.084 3.899 -7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.114 1.578 -8.710 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.652 2.263 -9.196 1.00 0.00 H new ATOM 237 N VAL A 19 5.393 2.059 -9.065 1.00 0.00 N ATOM 238 CA VAL A 19 4.272 1.305 -8.530 1.00 0.00 C ATOM 239 C VAL A 19 4.799 0.071 -7.793 1.00 0.00 C ATOM 240 O VAL A 19 5.834 -0.482 -8.162 1.00 0.00 O ATOM 241 CB VAL A 19 3.291 0.958 -9.651 1.00 0.00 C ATOM 242 CG1 VAL A 19 4.031 0.443 -10.887 1.00 0.00 C ATOM 243 CG2 VAL A 19 2.249 -0.056 -9.174 1.00 0.00 C ATOM 0 H VAL A 19 5.778 1.692 -9.936 1.00 0.00 H new ATOM 0 HA VAL A 19 3.719 1.905 -7.807 1.00 0.00 H new ATOM 0 HB VAL A 19 2.766 1.871 -9.931 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.310 0.204 -11.669 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.716 1.211 -11.247 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.595 -0.453 -10.627 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.564 -0.285 -9.990 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.750 -0.969 -8.854 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.689 0.363 -8.338 1.00 0.00 H new ATOM 253 N MET A 20 4.062 -0.325 -6.766 1.00 0.00 N ATOM 254 CA MET A 20 4.441 -1.483 -5.975 1.00 0.00 C ATOM 255 C MET A 20 3.310 -2.512 -5.930 1.00 0.00 C ATOM 256 O MET A 20 2.192 -2.193 -5.528 1.00 0.00 O ATOM 257 CB MET A 20 4.784 -1.039 -4.551 1.00 0.00 C ATOM 258 CG MET A 20 6.260 -0.653 -4.438 1.00 0.00 C ATOM 259 SD MET A 20 6.508 0.403 -3.020 1.00 0.00 S ATOM 260 CE MET A 20 5.266 -0.257 -1.922 1.00 0.00 C ATOM 0 H MET A 20 3.204 0.136 -6.463 1.00 0.00 H new ATOM 0 HA MET A 20 5.310 -1.947 -6.440 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.160 -0.190 -4.271 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.560 -1.844 -3.851 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.873 -1.550 -4.346 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.581 -0.140 -5.345 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.661 -0.296 -0.907 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.384 0.383 -1.944 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.993 -1.262 -2.244 1.00 0.00 H new ATOM 270 N PRO A 21 3.647 -3.757 -6.361 1.00 0.00 N ATOM 271 CA PRO A 21 2.673 -4.834 -6.374 1.00 0.00 C ATOM 272 C PRO A 21 2.413 -5.356 -4.959 1.00 0.00 C ATOM 273 O PRO A 21 3.268 -6.016 -4.371 1.00 0.00 O ATOM 274 CB PRO A 21 3.263 -5.888 -7.297 1.00 0.00 C ATOM 275 CG PRO A 21 4.746 -5.570 -7.397 1.00 0.00 C ATOM 276 CD PRO A 21 4.961 -4.170 -6.845 1.00 0.00 C ATOM 0 HA PRO A 21 1.695 -4.512 -6.733 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.104 -6.890 -6.898 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.790 -5.857 -8.278 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.331 -6.297 -6.833 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.080 -5.627 -8.433 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.697 -4.170 -6.041 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.330 -3.493 -7.615 1.00 0.00 H new ATOM 284 N VAL A 22 1.229 -5.041 -4.455 1.00 0.00 N ATOM 285 CA VAL A 22 0.846 -5.470 -3.120 1.00 0.00 C ATOM 286 C VAL A 22 -0.143 -6.632 -3.227 1.00 0.00 C ATOM 287 O VAL A 22 -0.899 -6.721 -4.193 1.00 0.00 O ATOM 288 CB VAL A 22 0.292 -4.283 -2.328 1.00 0.00 C ATOM 289 CG1 VAL A 22 -0.120 -4.710 -0.918 1.00 0.00 C ATOM 290 CG2 VAL A 22 1.302 -3.136 -2.281 1.00 0.00 C ATOM 0 H VAL A 22 0.522 -4.494 -4.947 1.00 0.00 H new ATOM 0 HA VAL A 22 1.715 -5.833 -2.571 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.599 -3.923 -2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.510 -3.848 -0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.891 -5.478 -0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.747 -5.108 -0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.883 -2.306 -1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.219 -3.478 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.525 -2.805 -3.296 1.00 0.00 H new ATOM 300 N VAL A 23 -0.106 -7.493 -2.221 1.00 0.00 N ATOM 301 CA VAL A 23 -0.990 -8.646 -2.189 1.00 0.00 C ATOM 302 C VAL A 23 -1.968 -8.502 -1.022 1.00 0.00 C ATOM 303 O VAL A 23 -1.614 -7.964 0.026 1.00 0.00 O ATOM 304 CB VAL A 23 -0.167 -9.934 -2.125 1.00 0.00 C ATOM 305 CG1 VAL A 23 -1.051 -11.132 -1.771 1.00 0.00 C ATOM 306 CG2 VAL A 23 0.582 -10.174 -3.437 1.00 0.00 C ATOM 0 H VAL A 23 0.523 -7.415 -1.421 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.582 -8.699 -3.103 1.00 0.00 H new ATOM 0 HB VAL A 23 0.574 -9.818 -1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.442 -12.035 -1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.517 -10.966 -0.799 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.825 -11.249 -2.529 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.159 -11.096 -3.363 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.134 -10.258 -4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.256 -9.339 -3.629 1.00 0.00 H new ATOM 316 N VAL A 24 -3.179 -8.992 -1.242 1.00 0.00 N ATOM 317 CA VAL A 24 -4.211 -8.924 -0.221 1.00 0.00 C ATOM 318 C VAL A 24 -5.213 -10.059 -0.439 1.00 0.00 C ATOM 319 O VAL A 24 -5.191 -10.721 -1.476 1.00 0.00 O ATOM 320 CB VAL A 24 -4.864 -7.540 -0.228 1.00 0.00 C ATOM 321 CG1 VAL A 24 -3.901 -6.477 0.304 1.00 0.00 C ATOM 322 CG2 VAL A 24 -5.363 -7.177 -1.628 1.00 0.00 C ATOM 0 H VAL A 24 -3.469 -9.438 -2.112 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.778 -9.059 0.770 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.727 -7.573 0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.390 -5.503 0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.616 -6.724 1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.010 -6.446 -0.324 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.823 -6.189 -1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.524 -7.171 -2.323 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.099 -7.912 -1.954 1.00 0.00 H new ATOM 332 N VAL A 25 -6.067 -10.250 0.556 1.00 0.00 N ATOM 333 CA VAL A 25 -7.075 -11.294 0.486 1.00 0.00 C ATOM 334 C VAL A 25 -8.005 -11.022 -0.699 1.00 0.00 C ATOM 335 O VAL A 25 -8.090 -9.892 -1.178 1.00 0.00 O ATOM 336 CB VAL A 25 -7.819 -11.393 1.819 1.00 0.00 C ATOM 337 CG1 VAL A 25 -6.922 -11.991 2.905 1.00 0.00 C ATOM 338 CG2 VAL A 25 -8.362 -10.028 2.246 1.00 0.00 C ATOM 0 H VAL A 25 -6.082 -9.700 1.415 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.608 -12.264 0.316 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.668 -12.063 1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.475 -12.050 3.842 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.606 -12.991 2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.045 -11.359 3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.886 -10.126 3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.535 -9.327 2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.052 -9.657 1.488 1.00 0.00 H new ATOM 348 N GLN A 26 -8.678 -12.076 -1.136 1.00 0.00 N ATOM 349 CA GLN A 26 -9.598 -11.964 -2.255 1.00 0.00 C ATOM 350 C GLN A 26 -10.667 -10.909 -1.961 1.00 0.00 C ATOM 351 O GLN A 26 -11.345 -10.437 -2.871 1.00 0.00 O ATOM 352 CB GLN A 26 -10.236 -13.317 -2.577 1.00 0.00 C ATOM 353 CG GLN A 26 -9.756 -13.841 -3.932 1.00 0.00 C ATOM 354 CD GLN A 26 -10.724 -14.886 -4.490 1.00 0.00 C ATOM 355 OE1 GLN A 26 -11.815 -14.580 -4.943 1.00 0.00 O ATOM 356 NE2 GLN A 26 -10.266 -16.133 -4.432 1.00 0.00 N ATOM 0 H GLN A 26 -8.605 -13.011 -0.736 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.035 -11.647 -3.133 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.987 -14.036 -1.796 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.322 -13.219 -2.585 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.665 -13.013 -4.635 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.764 -14.279 -3.826 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.343 -16.320 -4.040 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.838 -16.903 -4.779 1.00 0.00 H new ATOM 365 N ASN A 27 -10.783 -10.571 -0.685 1.00 0.00 N ATOM 366 CA ASN A 27 -11.758 -9.582 -0.259 1.00 0.00 C ATOM 367 C ASN A 27 -11.148 -8.713 0.843 1.00 0.00 C ATOM 368 O ASN A 27 -11.604 -8.741 1.985 1.00 0.00 O ATOM 369 CB ASN A 27 -13.012 -10.251 0.307 1.00 0.00 C ATOM 370 CG ASN A 27 -12.652 -11.238 1.419 1.00 0.00 C ATOM 371 OD1 ASN A 27 -11.806 -12.104 1.267 1.00 0.00 O ATOM 372 ND2 ASN A 27 -13.340 -11.060 2.543 1.00 0.00 N ATOM 0 H ASN A 27 -10.218 -10.965 0.067 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.031 -8.982 -1.127 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -13.690 -9.491 0.696 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.541 -10.773 -0.490 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -13.173 -11.668 3.345 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -14.034 -10.315 2.603 1.00 0.00 H new ATOM 379 N ALA A 28 -10.126 -7.961 0.461 1.00 0.00 N ATOM 380 CA ALA A 28 -9.449 -7.085 1.403 1.00 0.00 C ATOM 381 C ALA A 28 -10.165 -5.734 1.442 1.00 0.00 C ATOM 382 O ALA A 28 -11.148 -5.528 0.732 1.00 0.00 O ATOM 383 CB ALA A 28 -7.976 -6.953 1.009 1.00 0.00 C ATOM 0 H ALA A 28 -9.750 -7.940 -0.487 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.482 -7.504 2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.468 -6.296 1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.506 -7.936 1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.904 -6.533 0.006 1.00 0.00 H new ATOM 389 N THR A 29 -9.645 -4.848 2.279 1.00 0.00 N ATOM 390 CA THR A 29 -10.222 -3.522 2.419 1.00 0.00 C ATOM 391 C THR A 29 -9.132 -2.453 2.323 1.00 0.00 C ATOM 392 O THR A 29 -7.964 -2.770 2.103 1.00 0.00 O ATOM 393 CB THR A 29 -10.998 -3.482 3.737 1.00 0.00 C ATOM 394 OG1 THR A 29 -9.983 -3.435 4.737 1.00 0.00 O ATOM 395 CG2 THR A 29 -11.740 -4.790 4.021 1.00 0.00 C ATOM 0 H THR A 29 -8.830 -5.023 2.867 1.00 0.00 H new ATOM 0 HA THR A 29 -10.918 -3.305 1.608 1.00 0.00 H new ATOM 0 HB THR A 29 -11.711 -2.658 3.712 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.399 -3.405 5.624 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.274 -4.707 4.968 1.00 0.00 H new ATOM 0 HG22 THR A 29 -12.452 -4.986 3.219 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.024 -5.610 4.079 1.00 0.00 H new ATOM 403 N VAL A 30 -9.553 -1.208 2.492 1.00 0.00 N ATOM 404 CA VAL A 30 -8.627 -0.090 2.427 1.00 0.00 C ATOM 405 C VAL A 30 -7.533 -0.277 3.479 1.00 0.00 C ATOM 406 O VAL A 30 -6.353 -0.082 3.194 1.00 0.00 O ATOM 407 CB VAL A 30 -9.388 1.229 2.583 1.00 0.00 C ATOM 408 CG1 VAL A 30 -8.432 2.422 2.532 1.00 0.00 C ATOM 409 CG2 VAL A 30 -10.484 1.358 1.524 1.00 0.00 C ATOM 0 H VAL A 30 -10.523 -0.949 2.674 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.138 -0.055 1.453 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.868 1.226 3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.998 3.347 2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.705 2.340 3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.911 2.430 1.575 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.009 2.304 1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.036 1.329 0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.189 0.533 1.628 1.00 0.00 H new ATOM 419 N LEU A 31 -7.964 -0.653 4.674 1.00 0.00 N ATOM 420 CA LEU A 31 -7.036 -0.869 5.771 1.00 0.00 C ATOM 421 C LEU A 31 -6.005 -1.923 5.361 1.00 0.00 C ATOM 422 O LEU A 31 -4.806 -1.650 5.344 1.00 0.00 O ATOM 423 CB LEU A 31 -7.793 -1.216 7.054 1.00 0.00 C ATOM 424 CG LEU A 31 -7.035 -0.989 8.363 1.00 0.00 C ATOM 425 CD1 LEU A 31 -6.288 0.346 8.340 1.00 0.00 C ATOM 426 CD2 LEU A 31 -7.973 -1.100 9.567 1.00 0.00 C ATOM 0 H LEU A 31 -8.944 -0.814 4.907 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.487 0.047 5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.710 -0.627 7.082 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.088 -2.264 7.006 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.287 -1.775 8.464 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.758 0.482 9.282 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.573 0.349 7.517 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.001 1.159 8.204 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.408 -0.934 10.485 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.760 -0.351 9.485 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.419 -2.094 9.590 1.00 0.00 H new ATOM 438 N ASP A 32 -6.510 -3.106 5.041 1.00 0.00 N ATOM 439 CA ASP A 32 -5.649 -4.202 4.633 1.00 0.00 C ATOM 440 C ASP A 32 -4.607 -3.683 3.639 1.00 0.00 C ATOM 441 O ASP A 32 -3.406 -3.819 3.866 1.00 0.00 O ATOM 442 CB ASP A 32 -6.452 -5.306 3.943 1.00 0.00 C ATOM 443 CG ASP A 32 -5.895 -6.720 4.122 1.00 0.00 C ATOM 444 OD1 ASP A 32 -4.927 -7.044 3.400 1.00 0.00 O ATOM 445 OD2 ASP A 32 -6.449 -7.444 4.977 1.00 0.00 O ATOM 0 H ASP A 32 -7.505 -3.329 5.056 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.173 -4.607 5.526 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.473 -5.283 4.323 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.504 -5.085 2.877 1.00 0.00 H new ATOM 450 N LEU A 33 -5.106 -3.100 2.559 1.00 0.00 N ATOM 451 CA LEU A 33 -4.234 -2.561 1.529 1.00 0.00 C ATOM 452 C LEU A 33 -3.043 -1.863 2.190 1.00 0.00 C ATOM 453 O LEU A 33 -1.894 -2.234 1.956 1.00 0.00 O ATOM 454 CB LEU A 33 -5.023 -1.660 0.576 1.00 0.00 C ATOM 455 CG LEU A 33 -4.542 -1.637 -0.876 1.00 0.00 C ATOM 456 CD1 LEU A 33 -3.255 -0.823 -1.015 1.00 0.00 C ATOM 457 CD2 LEU A 33 -4.385 -3.057 -1.424 1.00 0.00 C ATOM 0 H LEU A 33 -6.103 -2.989 2.375 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.832 -3.364 0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.066 -1.977 0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.995 -0.642 0.964 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.302 -1.141 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.935 -0.823 -2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.436 0.202 -0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.475 -1.267 -0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.042 -3.012 -2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.656 -3.600 -0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.345 -3.571 -1.382 1.00 0.00 H new ATOM 469 N LYS A 34 -3.359 -0.865 3.003 1.00 0.00 N ATOM 470 CA LYS A 34 -2.329 -0.113 3.699 1.00 0.00 C ATOM 471 C LYS A 34 -1.371 -1.086 4.388 1.00 0.00 C ATOM 472 O LYS A 34 -0.175 -1.095 4.099 1.00 0.00 O ATOM 473 CB LYS A 34 -2.961 0.906 4.650 1.00 0.00 C ATOM 474 CG LYS A 34 -3.447 2.140 3.887 1.00 0.00 C ATOM 475 CD LYS A 34 -4.924 2.416 4.175 1.00 0.00 C ATOM 476 CE LYS A 34 -5.154 3.895 4.492 1.00 0.00 C ATOM 477 NZ LYS A 34 -6.098 4.043 5.621 1.00 0.00 N ATOM 0 H LYS A 34 -4.313 -0.560 3.195 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.738 0.469 2.992 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.798 0.447 5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.234 1.204 5.405 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.849 3.006 4.171 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.303 1.990 2.817 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.526 2.127 3.314 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.255 1.805 5.015 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.205 4.372 4.739 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.547 4.404 3.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.243 5.053 5.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.008 3.606 5.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.708 3.574 6.463 1.00 0.00 H new ATOM 491 N LYS A 35 -1.931 -1.881 5.287 1.00 0.00 N ATOM 492 CA LYS A 35 -1.141 -2.856 6.020 1.00 0.00 C ATOM 493 C LYS A 35 -0.233 -3.607 5.045 1.00 0.00 C ATOM 494 O LYS A 35 0.973 -3.707 5.265 1.00 0.00 O ATOM 495 CB LYS A 35 -2.049 -3.771 6.844 1.00 0.00 C ATOM 496 CG LYS A 35 -2.525 -3.069 8.118 1.00 0.00 C ATOM 497 CD LYS A 35 -4.040 -2.862 8.096 1.00 0.00 C ATOM 498 CE LYS A 35 -4.747 -3.887 8.986 1.00 0.00 C ATOM 499 NZ LYS A 35 -5.523 -4.841 8.163 1.00 0.00 N ATOM 0 H LYS A 35 -2.923 -1.870 5.525 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.492 -2.357 6.740 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.910 -4.069 6.246 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.512 -4.682 7.106 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.248 -3.662 8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.024 -2.106 8.216 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.278 -1.854 8.436 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.408 -2.948 7.073 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.012 -4.427 9.583 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.411 -3.376 9.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.023 -5.508 8.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.214 -4.320 7.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.878 -5.366 7.539 1.00 0.00 H new ATOM 513 N ALA A 36 -0.847 -4.116 3.987 1.00 0.00 N ATOM 514 CA ALA A 36 -0.108 -4.855 2.977 1.00 0.00 C ATOM 515 C ALA A 36 1.107 -4.036 2.539 1.00 0.00 C ATOM 516 O ALA A 36 2.247 -4.436 2.774 1.00 0.00 O ATOM 517 CB ALA A 36 -1.037 -5.191 1.808 1.00 0.00 C ATOM 0 H ALA A 36 -1.847 -4.031 3.807 1.00 0.00 H new ATOM 0 HA ALA A 36 0.259 -5.798 3.383 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.483 -5.745 1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.868 -5.798 2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.423 -4.269 1.373 1.00 0.00 H new ATOM 523 N ILE A 37 0.823 -2.905 1.910 1.00 0.00 N ATOM 524 CA ILE A 37 1.880 -2.027 1.437 1.00 0.00 C ATOM 525 C ILE A 37 2.995 -1.968 2.482 1.00 0.00 C ATOM 526 O ILE A 37 4.168 -1.838 2.137 1.00 0.00 O ATOM 527 CB ILE A 37 1.310 -0.656 1.067 1.00 0.00 C ATOM 528 CG1 ILE A 37 0.322 -0.768 -0.096 1.00 0.00 C ATOM 529 CG2 ILE A 37 2.432 0.342 0.772 1.00 0.00 C ATOM 530 CD1 ILE A 37 -0.549 0.486 -0.198 1.00 0.00 C ATOM 0 H ILE A 37 -0.123 -2.576 1.717 1.00 0.00 H new ATOM 0 HA ILE A 37 2.322 -2.421 0.522 1.00 0.00 H new ATOM 0 HB ILE A 37 0.756 -0.274 1.924 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.867 -0.913 -1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.311 -1.644 0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.000 1.308 0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.062 0.452 1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.034 -0.023 -0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.242 0.381 -1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.111 0.615 0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.085 1.357 -0.361 1.00 0.00 H new ATOM 542 N GLN A 38 2.589 -2.067 3.740 1.00 0.00 N ATOM 543 CA GLN A 38 3.540 -2.026 4.838 1.00 0.00 C ATOM 544 C GLN A 38 4.232 -3.382 4.991 1.00 0.00 C ATOM 545 O GLN A 38 5.460 -3.458 5.005 1.00 0.00 O ATOM 546 CB GLN A 38 2.854 -1.611 6.141 1.00 0.00 C ATOM 547 CG GLN A 38 3.119 -0.137 6.455 1.00 0.00 C ATOM 548 CD GLN A 38 2.623 0.223 7.857 1.00 0.00 C ATOM 549 OE1 GLN A 38 3.374 0.654 8.717 1.00 0.00 O ATOM 550 NE2 GLN A 38 1.322 0.021 8.039 1.00 0.00 N ATOM 0 H GLN A 38 1.615 -2.175 4.023 1.00 0.00 H new ATOM 0 HA GLN A 38 4.298 -1.277 4.610 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.780 -1.782 6.061 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.216 -2.232 6.960 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.187 0.068 6.379 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.621 0.491 5.717 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.751 -0.342 7.276 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.895 0.229 8.942 1.00 0.00 H new ATOM 559 N ARG A 39 3.415 -4.419 5.100 1.00 0.00 N ATOM 560 CA ARG A 39 3.934 -5.768 5.251 1.00 0.00 C ATOM 561 C ARG A 39 4.686 -6.192 3.987 1.00 0.00 C ATOM 562 O ARG A 39 5.340 -7.234 3.970 1.00 0.00 O ATOM 563 CB ARG A 39 2.806 -6.765 5.524 1.00 0.00 C ATOM 564 CG ARG A 39 2.736 -7.120 7.010 1.00 0.00 C ATOM 565 CD ARG A 39 1.422 -6.639 7.628 1.00 0.00 C ATOM 566 NE ARG A 39 0.928 -7.634 8.606 1.00 0.00 N ATOM 567 CZ ARG A 39 1.317 -7.684 9.888 1.00 0.00 C ATOM 568 NH1 ARG A 39 2.207 -6.796 10.353 1.00 0.00 N ATOM 569 NH2 ARG A 39 0.817 -8.621 10.704 1.00 0.00 N ATOM 0 H ARG A 39 2.397 -4.353 5.087 1.00 0.00 H new ATOM 0 HA ARG A 39 4.616 -5.768 6.101 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.855 -6.340 5.203 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.966 -7.670 4.937 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.827 -8.199 7.134 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.576 -6.667 7.536 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.572 -5.678 8.119 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.678 -6.485 6.846 1.00 0.00 H new ATOM 0 HE ARG A 39 0.250 -8.325 8.285 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.588 -6.083 9.732 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.503 -6.834 11.328 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.140 -9.297 10.350 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.113 -8.659 11.679 1.00 0.00 H new ATOM 583 N TYR A 40 4.568 -5.363 2.961 1.00 0.00 N ATOM 584 CA TYR A 40 5.228 -5.639 1.696 1.00 0.00 C ATOM 585 C TYR A 40 6.707 -5.250 1.753 1.00 0.00 C ATOM 586 O TYR A 40 7.565 -5.987 1.269 1.00 0.00 O ATOM 587 CB TYR A 40 4.524 -4.767 0.654 1.00 0.00 C ATOM 588 CG TYR A 40 5.283 -4.644 -0.669 1.00 0.00 C ATOM 589 CD1 TYR A 40 5.341 -5.718 -1.534 1.00 0.00 C ATOM 590 CD2 TYR A 40 5.909 -3.459 -0.998 1.00 0.00 C ATOM 591 CE1 TYR A 40 6.054 -5.602 -2.779 1.00 0.00 C ATOM 592 CE2 TYR A 40 6.622 -3.343 -2.243 1.00 0.00 C ATOM 593 CZ TYR A 40 6.660 -4.420 -3.072 1.00 0.00 C ATOM 594 OH TYR A 40 7.334 -4.311 -4.248 1.00 0.00 O ATOM 0 H TYR A 40 4.025 -4.500 2.979 1.00 0.00 H new ATOM 0 HA TYR A 40 5.173 -6.701 1.458 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.535 -5.181 0.457 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.375 -3.770 1.070 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.851 -6.646 -1.277 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.864 -2.619 -0.321 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.107 -6.435 -3.465 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.116 -2.421 -2.513 1.00 0.00 H new ATOM 0 HH TYR A 40 7.277 -5.158 -4.737 1.00 0.00 H new ATOM 604 N VAL A 41 6.960 -4.095 2.350 1.00 0.00 N ATOM 605 CA VAL A 41 8.320 -3.600 2.476 1.00 0.00 C ATOM 606 C VAL A 41 8.882 -4.010 3.839 1.00 0.00 C ATOM 607 O VAL A 41 9.976 -4.568 3.920 1.00 0.00 O ATOM 608 CB VAL A 41 8.350 -2.087 2.248 1.00 0.00 C ATOM 609 CG1 VAL A 41 9.770 -1.538 2.399 1.00 0.00 C ATOM 610 CG2 VAL A 41 7.765 -1.727 0.881 1.00 0.00 C ATOM 0 H VAL A 41 6.246 -3.487 2.752 1.00 0.00 H new ATOM 0 HA VAL A 41 8.960 -4.043 1.713 1.00 0.00 H new ATOM 0 HB VAL A 41 7.728 -1.621 3.012 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.763 -0.461 2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.136 -1.747 3.404 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.424 -2.014 1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.798 -0.646 0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.348 -2.210 0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.731 -2.068 0.826 1.00 0.00 H new ATOM 620 N GLN A 42 8.109 -3.718 4.875 1.00 0.00 N ATOM 621 CA GLN A 42 8.517 -4.050 6.229 1.00 0.00 C ATOM 622 C GLN A 42 9.121 -5.455 6.273 1.00 0.00 C ATOM 623 O GLN A 42 10.328 -5.610 6.454 1.00 0.00 O ATOM 624 CB GLN A 42 7.341 -3.929 7.201 1.00 0.00 C ATOM 625 CG GLN A 42 7.823 -3.530 8.597 1.00 0.00 C ATOM 626 CD GLN A 42 8.686 -2.269 8.540 1.00 0.00 C ATOM 627 OE1 GLN A 42 9.893 -2.302 8.717 1.00 0.00 O ATOM 628 NE2 GLN A 42 8.003 -1.157 8.284 1.00 0.00 N ATOM 0 H GLN A 42 7.203 -3.255 4.804 1.00 0.00 H new ATOM 0 HA GLN A 42 9.280 -3.338 6.542 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.633 -3.187 6.831 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.809 -4.879 7.254 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.965 -3.358 9.247 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.396 -4.347 9.035 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.993 -1.199 8.146 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.489 -0.262 8.226 1.00 0.00 H new ATOM 637 N LEU A 43 8.255 -6.443 6.103 1.00 0.00 N ATOM 638 CA LEU A 43 8.688 -7.830 6.121 1.00 0.00 C ATOM 639 C LEU A 43 9.881 -7.999 5.178 1.00 0.00 C ATOM 640 O LEU A 43 10.777 -8.798 5.443 1.00 0.00 O ATOM 641 CB LEU A 43 7.516 -8.761 5.803 1.00 0.00 C ATOM 642 CG LEU A 43 6.960 -9.565 6.980 1.00 0.00 C ATOM 643 CD1 LEU A 43 5.719 -10.358 6.565 1.00 0.00 C ATOM 644 CD2 LEU A 43 8.039 -10.465 7.587 1.00 0.00 C ATOM 0 H LEU A 43 7.255 -6.311 5.952 1.00 0.00 H new ATOM 0 HA LEU A 43 9.027 -8.111 7.118 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.707 -8.164 5.382 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.832 -9.460 5.029 1.00 0.00 H new ATOM 0 HG LEU A 43 6.650 -8.865 7.756 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.344 -10.920 7.420 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.948 -9.671 6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.980 -11.048 5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.618 -11.026 8.422 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.402 -11.160 6.829 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.867 -9.851 7.943 1.00 0.00 H new ATOM 656 N LYS A 44 9.853 -7.233 4.097 1.00 0.00 N ATOM 657 CA LYS A 44 10.922 -7.289 3.114 1.00 0.00 C ATOM 658 C LYS A 44 12.253 -6.964 3.794 1.00 0.00 C ATOM 659 O LYS A 44 13.128 -7.823 3.895 1.00 0.00 O ATOM 660 CB LYS A 44 10.602 -6.381 1.924 1.00 0.00 C ATOM 661 CG LYS A 44 10.651 -7.162 0.610 1.00 0.00 C ATOM 662 CD LYS A 44 9.932 -6.402 -0.507 1.00 0.00 C ATOM 663 CE LYS A 44 10.884 -6.102 -1.667 1.00 0.00 C ATOM 664 NZ LYS A 44 11.130 -7.323 -2.465 1.00 0.00 N ATOM 0 H LYS A 44 9.108 -6.571 3.880 1.00 0.00 H new ATOM 0 HA LYS A 44 11.011 -8.295 2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.613 -5.941 2.053 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.315 -5.557 1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 44 11.689 -7.338 0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.188 -8.139 0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.088 -6.990 -0.867 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.526 -5.470 -0.115 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.459 -5.325 -2.302 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.828 -5.717 -1.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.778 -7.101 -3.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.556 -8.054 -1.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.230 -7.674 -2.850 1.00 0.00 H new ATOM 678 N GLN A 45 12.364 -5.723 4.244 1.00 0.00 N ATOM 679 CA GLN A 45 13.574 -5.275 4.912 1.00 0.00 C ATOM 680 C GLN A 45 13.928 -6.222 6.060 1.00 0.00 C ATOM 681 O GLN A 45 15.092 -6.577 6.241 1.00 0.00 O ATOM 682 CB GLN A 45 13.423 -3.838 5.414 1.00 0.00 C ATOM 683 CG GLN A 45 13.497 -2.842 4.255 1.00 0.00 C ATOM 684 CD GLN A 45 13.660 -1.411 4.772 1.00 0.00 C ATOM 685 OE1 GLN A 45 14.679 -0.767 4.581 1.00 0.00 O ATOM 686 NE2 GLN A 45 12.603 -0.951 5.435 1.00 0.00 N ATOM 0 H GLN A 45 11.636 -5.014 4.159 1.00 0.00 H new ATOM 0 HA GLN A 45 14.391 -5.289 4.190 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.470 -3.728 5.932 1.00 0.00 H new ATOM 0 HB3 GLN A 45 14.207 -3.618 6.138 1.00 0.00 H new ATOM 0 HG2 GLN A 45 14.335 -3.096 3.606 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.593 -2.914 3.651 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.782 -1.543 5.559 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.614 -0.006 5.820 1.00 0.00 H new ATOM 695 N GLU A 46 12.903 -6.606 6.807 1.00 0.00 N ATOM 696 CA GLU A 46 13.091 -7.505 7.932 1.00 0.00 C ATOM 697 C GLU A 46 13.874 -8.745 7.496 1.00 0.00 C ATOM 698 O GLU A 46 14.912 -9.063 8.074 1.00 0.00 O ATOM 699 CB GLU A 46 11.748 -7.895 8.553 1.00 0.00 C ATOM 700 CG GLU A 46 11.703 -7.528 10.038 1.00 0.00 C ATOM 701 CD GLU A 46 11.972 -8.753 10.914 1.00 0.00 C ATOM 702 OE1 GLU A 46 11.003 -9.510 11.143 1.00 0.00 O ATOM 703 OE2 GLU A 46 13.139 -8.906 11.334 1.00 0.00 O ATOM 0 H GLU A 46 11.939 -6.310 6.654 1.00 0.00 H new ATOM 0 HA GLU A 46 13.669 -6.984 8.695 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.939 -7.390 8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.586 -8.966 8.434 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.444 -6.756 10.248 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.727 -7.108 10.283 1.00 0.00 H new ATOM 710 N ARG A 47 13.347 -9.411 6.479 1.00 0.00 N ATOM 711 CA ARG A 47 13.984 -10.609 5.958 1.00 0.00 C ATOM 712 C ARG A 47 15.300 -10.252 5.265 1.00 0.00 C ATOM 713 O ARG A 47 16.116 -11.129 4.985 1.00 0.00 O ATOM 714 CB ARG A 47 13.071 -11.330 4.964 1.00 0.00 C ATOM 715 CG ARG A 47 11.709 -11.635 5.592 1.00 0.00 C ATOM 716 CD ARG A 47 11.777 -12.890 6.465 1.00 0.00 C ATOM 717 NE ARG A 47 10.949 -13.964 5.872 1.00 0.00 N ATOM 718 CZ ARG A 47 10.875 -15.211 6.358 1.00 0.00 C ATOM 719 NH1 ARG A 47 11.579 -15.547 7.447 1.00 0.00 N ATOM 720 NH2 ARG A 47 10.098 -16.120 5.754 1.00 0.00 N ATOM 0 H ARG A 47 12.486 -9.144 6.002 1.00 0.00 H new ATOM 0 HA ARG A 47 14.181 -11.273 6.800 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.936 -10.713 4.075 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.542 -12.258 4.639 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.384 -10.786 6.194 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.965 -11.773 4.807 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.810 -13.224 6.556 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.426 -12.662 7.472 1.00 0.00 H new ATOM 0 HE ARG A 47 10.400 -13.741 5.041 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.171 -14.854 7.906 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.523 -16.496 7.818 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.563 -15.863 4.924 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.042 -17.069 6.124 1.00 0.00 H new ATOM 734 N GLU A 48 15.466 -8.963 5.009 1.00 0.00 N ATOM 735 CA GLU A 48 16.670 -8.479 4.354 1.00 0.00 C ATOM 736 C GLU A 48 17.510 -7.653 5.330 1.00 0.00 C ATOM 737 O GLU A 48 18.382 -6.892 4.915 1.00 0.00 O ATOM 738 CB GLU A 48 16.325 -7.666 3.105 1.00 0.00 C ATOM 739 CG GLU A 48 16.185 -8.574 1.881 1.00 0.00 C ATOM 740 CD GLU A 48 16.213 -7.758 0.587 1.00 0.00 C ATOM 741 OE1 GLU A 48 15.127 -7.278 0.195 1.00 0.00 O ATOM 742 OE2 GLU A 48 17.319 -7.633 0.019 1.00 0.00 O ATOM 0 H GLU A 48 14.787 -8.239 5.243 1.00 0.00 H new ATOM 0 HA GLU A 48 17.258 -9.340 4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.395 -7.122 3.267 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.102 -6.923 2.924 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.993 -9.305 1.872 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.251 -9.132 1.943 1.00 0.00 H new ATOM 749 N GLY A 49 17.218 -7.832 6.610 1.00 0.00 N ATOM 750 CA GLY A 49 17.936 -7.113 7.649 1.00 0.00 C ATOM 751 C GLY A 49 17.922 -5.607 7.384 1.00 0.00 C ATOM 752 O GLY A 49 18.914 -5.045 6.923 1.00 0.00 O ATOM 0 H GLY A 49 16.494 -8.464 6.951 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.483 -7.319 8.619 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.966 -7.468 7.697 1.00 0.00 H new ATOM 756 N GLY A 50 16.785 -4.996 7.685 1.00 0.00 N ATOM 757 CA GLY A 50 16.629 -3.565 7.484 1.00 0.00 C ATOM 758 C GLY A 50 15.655 -2.972 8.505 1.00 0.00 C ATOM 759 O GLY A 50 14.441 -3.033 8.318 1.00 0.00 O ATOM 0 H GLY A 50 15.964 -5.465 8.066 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.598 -3.074 7.572 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.265 -3.373 6.475 1.00 0.00 H new ATOM 763 N VAL A 51 16.225 -2.411 9.561 1.00 0.00 N ATOM 764 CA VAL A 51 15.422 -1.807 10.611 1.00 0.00 C ATOM 765 C VAL A 51 14.492 -0.759 9.997 1.00 0.00 C ATOM 766 O VAL A 51 14.881 -0.040 9.078 1.00 0.00 O ATOM 767 CB VAL A 51 16.331 -1.234 11.701 1.00 0.00 C ATOM 768 CG1 VAL A 51 17.115 -2.347 12.401 1.00 0.00 C ATOM 769 CG2 VAL A 51 17.275 -0.176 11.127 1.00 0.00 C ATOM 0 H VAL A 51 17.233 -2.362 9.712 1.00 0.00 H new ATOM 0 HA VAL A 51 14.794 -2.558 11.091 1.00 0.00 H new ATOM 0 HB VAL A 51 15.699 -0.750 12.445 1.00 0.00 H new ATOM 0 HG11 VAL A 51 17.753 -1.914 13.171 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.419 -3.049 12.860 1.00 0.00 H new ATOM 0 HG13 VAL A 51 17.732 -2.872 11.671 1.00 0.00 H new ATOM 0 HG21 VAL A 51 17.910 0.215 11.922 1.00 0.00 H new ATOM 0 HG22 VAL A 51 17.898 -0.625 10.353 1.00 0.00 H new ATOM 0 HG23 VAL A 51 16.691 0.637 10.696 1.00 0.00 H new ATOM 779 N GLN A 52 13.280 -0.704 10.531 1.00 0.00 N ATOM 780 CA GLN A 52 12.292 0.244 10.047 1.00 0.00 C ATOM 781 C GLN A 52 12.901 1.645 9.953 1.00 0.00 C ATOM 782 O GLN A 52 13.763 2.005 10.753 1.00 0.00 O ATOM 783 CB GLN A 52 11.050 0.245 10.940 1.00 0.00 C ATOM 784 CG GLN A 52 11.432 0.427 12.411 1.00 0.00 C ATOM 785 CD GLN A 52 11.344 1.898 12.822 1.00 0.00 C ATOM 786 OE1 GLN A 52 10.511 2.653 12.349 1.00 0.00 O ATOM 787 NE2 GLN A 52 12.248 2.261 13.727 1.00 0.00 N ATOM 0 H GLN A 52 12.961 -1.301 11.294 1.00 0.00 H new ATOM 0 HA GLN A 52 11.981 -0.063 9.048 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.378 1.046 10.633 1.00 0.00 H new ATOM 0 HB3 GLN A 52 10.507 -0.692 10.815 1.00 0.00 H new ATOM 0 HG2 GLN A 52 10.770 -0.170 13.039 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.445 0.060 12.576 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.917 1.578 14.082 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.272 3.223 14.067 1.00 0.00 H new ATOM 796 N HIS A 53 12.428 2.396 8.970 1.00 0.00 N ATOM 797 CA HIS A 53 12.915 3.749 8.761 1.00 0.00 C ATOM 798 C HIS A 53 11.996 4.480 7.780 1.00 0.00 C ATOM 799 O HIS A 53 12.468 5.138 6.854 1.00 0.00 O ATOM 800 CB HIS A 53 14.376 3.736 8.307 1.00 0.00 C ATOM 801 CG HIS A 53 15.244 4.760 9.000 1.00 0.00 C ATOM 802 ND1 HIS A 53 15.182 6.113 8.712 1.00 0.00 N ATOM 803 CD2 HIS A 53 16.191 4.616 9.971 1.00 0.00 C ATOM 804 CE1 HIS A 53 16.058 6.744 9.480 1.00 0.00 C ATOM 805 NE2 HIS A 53 16.683 5.814 10.259 1.00 0.00 N ATOM 0 H HIS A 53 11.712 2.093 8.309 1.00 0.00 H new ATOM 0 HA HIS A 53 12.892 4.297 9.703 1.00 0.00 H new ATOM 0 HB2 HIS A 53 14.792 2.744 8.483 1.00 0.00 H new ATOM 0 HB3 HIS A 53 14.413 3.911 7.232 1.00 0.00 H new ATOM 0 HD2 HIS A 53 16.490 3.684 10.428 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.245 7.808 9.488 1.00 0.00 H new ATOM 0 HE2 HIS A 53 17.409 6.008 10.949 1.00 0.00 H new ATOM 813 N ILE A 54 10.700 4.340 8.017 1.00 0.00 N ATOM 814 CA ILE A 54 9.711 4.979 7.166 1.00 0.00 C ATOM 815 C ILE A 54 8.558 5.494 8.030 1.00 0.00 C ATOM 816 O ILE A 54 7.896 4.717 8.716 1.00 0.00 O ATOM 817 CB ILE A 54 9.267 4.027 6.052 1.00 0.00 C ATOM 818 CG1 ILE A 54 10.468 3.304 5.439 1.00 0.00 C ATOM 819 CG2 ILE A 54 8.442 4.766 4.997 1.00 0.00 C ATOM 820 CD1 ILE A 54 10.016 2.267 4.409 1.00 0.00 C ATOM 0 H ILE A 54 10.312 3.794 8.786 1.00 0.00 H new ATOM 0 HA ILE A 54 10.143 5.843 6.662 1.00 0.00 H new ATOM 0 HB ILE A 54 8.622 3.265 6.489 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.130 4.029 4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.043 2.814 6.225 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.139 4.067 4.217 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.556 5.196 5.464 1.00 0.00 H new ATOM 0 HG23 ILE A 54 9.043 5.562 4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.889 1.768 3.988 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.374 1.530 4.892 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.463 2.763 3.612 1.00 0.00 H new ATOM 832 N SER A 55 8.353 6.802 7.968 1.00 0.00 N ATOM 833 CA SER A 55 7.292 7.430 8.736 1.00 0.00 C ATOM 834 C SER A 55 5.937 7.147 8.084 1.00 0.00 C ATOM 835 O SER A 55 5.298 8.055 7.553 1.00 0.00 O ATOM 836 CB SER A 55 7.518 8.938 8.857 1.00 0.00 C ATOM 837 OG SER A 55 7.165 9.429 10.147 1.00 0.00 O ATOM 0 H SER A 55 8.904 7.444 7.398 1.00 0.00 H new ATOM 0 HA SER A 55 7.300 7.007 9.741 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.565 9.165 8.657 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.929 9.455 8.099 1.00 0.00 H new ATOM 0 HG SER A 55 7.325 10.395 10.184 1.00 0.00 H new ATOM 843 N TRP A 56 5.538 5.885 8.146 1.00 0.00 N ATOM 844 CA TRP A 56 4.270 5.472 7.569 1.00 0.00 C ATOM 845 C TRP A 56 3.174 6.374 8.140 1.00 0.00 C ATOM 846 O TRP A 56 2.214 6.706 7.446 1.00 0.00 O ATOM 847 CB TRP A 56 4.012 3.985 7.821 1.00 0.00 C ATOM 848 CG TRP A 56 5.010 3.054 7.129 1.00 0.00 C ATOM 849 CD1 TRP A 56 5.869 2.197 7.697 1.00 0.00 C ATOM 850 CD2 TRP A 56 5.218 2.921 5.707 1.00 0.00 C ATOM 851 NE1 TRP A 56 6.613 1.524 6.749 1.00 0.00 N ATOM 852 CE2 TRP A 56 6.204 1.978 5.501 1.00 0.00 C ATOM 853 CE3 TRP A 56 4.593 3.576 4.631 1.00 0.00 C ATOM 854 CZ2 TRP A 56 6.654 1.605 4.228 1.00 0.00 C ATOM 855 CZ3 TRP A 56 5.054 3.191 3.366 1.00 0.00 C ATOM 856 CH2 TRP A 56 6.046 2.244 3.141 1.00 0.00 C ATOM 0 H TRP A 56 6.070 5.135 8.587 1.00 0.00 H new ATOM 0 HA TRP A 56 4.284 5.586 6.485 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.041 3.799 8.895 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.006 3.739 7.482 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.967 2.051 8.763 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.331 0.823 6.931 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.819 4.317 4.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.428 0.864 4.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.607 3.664 2.504 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.346 2.002 2.132 1.00 0.00 H new ATOM 867 N SER A 57 3.354 6.746 9.399 1.00 0.00 N ATOM 868 CA SER A 57 2.392 7.603 10.071 1.00 0.00 C ATOM 869 C SER A 57 2.078 8.821 9.199 1.00 0.00 C ATOM 870 O SER A 57 0.925 9.051 8.841 1.00 0.00 O ATOM 871 CB SER A 57 2.912 8.049 11.439 1.00 0.00 C ATOM 872 OG SER A 57 2.811 7.013 12.412 1.00 0.00 O ATOM 0 H SER A 57 4.152 6.470 9.971 1.00 0.00 H new ATOM 0 HA SER A 57 1.477 7.032 10.229 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.953 8.360 11.347 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.348 8.919 11.775 1.00 0.00 H new ATOM 0 HG SER A 57 3.154 7.336 13.271 1.00 0.00 H new ATOM 878 N TYR A 58 3.126 9.569 8.884 1.00 0.00 N ATOM 879 CA TYR A 58 2.977 10.757 8.062 1.00 0.00 C ATOM 880 C TYR A 58 2.425 10.402 6.680 1.00 0.00 C ATOM 881 O TYR A 58 1.426 10.969 6.242 1.00 0.00 O ATOM 882 CB TYR A 58 4.383 11.339 7.903 1.00 0.00 C ATOM 883 CG TYR A 58 4.466 12.504 6.915 1.00 0.00 C ATOM 884 CD1 TYR A 58 3.846 13.702 7.208 1.00 0.00 C ATOM 885 CD2 TYR A 58 5.161 12.358 5.732 1.00 0.00 C ATOM 886 CE1 TYR A 58 3.924 14.799 6.278 1.00 0.00 C ATOM 887 CE2 TYR A 58 5.239 13.455 4.802 1.00 0.00 C ATOM 888 CZ TYR A 58 4.617 14.621 5.121 1.00 0.00 C ATOM 889 OH TYR A 58 4.690 15.657 4.243 1.00 0.00 O ATOM 0 H TYR A 58 4.081 9.375 9.184 1.00 0.00 H new ATOM 0 HA TYR A 58 2.284 11.459 8.525 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.738 11.676 8.877 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.057 10.548 7.574 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.303 13.817 8.134 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.647 11.421 5.503 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.443 15.742 6.494 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.779 13.354 3.872 1.00 0.00 H new ATOM 0 HH TYR A 58 5.217 15.387 3.462 1.00 0.00 H new ATOM 899 N VAL A 59 3.101 9.465 6.031 1.00 0.00 N ATOM 900 CA VAL A 59 2.691 9.027 4.708 1.00 0.00 C ATOM 901 C VAL A 59 1.187 8.749 4.710 1.00 0.00 C ATOM 902 O VAL A 59 0.439 9.353 3.942 1.00 0.00 O ATOM 903 CB VAL A 59 3.522 7.817 4.276 1.00 0.00 C ATOM 904 CG1 VAL A 59 2.997 7.232 2.964 1.00 0.00 C ATOM 905 CG2 VAL A 59 5.003 8.182 4.161 1.00 0.00 C ATOM 0 H VAL A 59 3.930 8.997 6.397 1.00 0.00 H new ATOM 0 HA VAL A 59 2.875 9.810 3.973 1.00 0.00 H new ATOM 0 HB VAL A 59 3.425 7.052 5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.605 6.373 2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.962 6.916 3.095 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.049 7.989 2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.571 7.304 3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.126 8.973 3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.368 8.529 5.127 1.00 0.00 H new ATOM 915 N TRP A 60 0.787 7.836 5.583 1.00 0.00 N ATOM 916 CA TRP A 60 -0.614 7.471 5.696 1.00 0.00 C ATOM 917 C TRP A 60 -1.390 8.709 6.151 1.00 0.00 C ATOM 918 O TRP A 60 -2.509 8.946 5.697 1.00 0.00 O ATOM 919 CB TRP A 60 -0.796 6.274 6.631 1.00 0.00 C ATOM 920 CG TRP A 60 -0.092 5.001 6.157 1.00 0.00 C ATOM 921 CD1 TRP A 60 0.808 4.260 6.819 1.00 0.00 C ATOM 922 CD2 TRP A 60 -0.268 4.345 4.883 1.00 0.00 C ATOM 923 NE1 TRP A 60 1.223 3.180 6.068 1.00 0.00 N ATOM 924 CE2 TRP A 60 0.548 3.233 4.854 1.00 0.00 C ATOM 925 CE3 TRP A 60 -1.089 4.681 3.793 1.00 0.00 C ATOM 926 CZ2 TRP A 60 0.623 2.366 3.757 1.00 0.00 C ATOM 927 CZ3 TRP A 60 -1.003 3.804 2.704 1.00 0.00 C ATOM 928 CH2 TRP A 60 -0.186 2.680 2.659 1.00 0.00 C ATOM 0 H TRP A 60 1.410 7.338 6.219 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.007 7.149 4.732 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.420 6.538 7.620 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -1.861 6.069 6.739 1.00 0.00 H new ATOM 0 HD1 TRP A 60 1.163 4.481 7.815 1.00 0.00 H new ATOM 0 HE1 TRP A 60 1.901 2.472 6.351 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.735 5.547 3.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 1.270 1.501 3.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.614 4.016 1.839 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -0.176 2.052 1.781 1.00 0.00 H new ATOM 939 N ARG A 61 -0.766 9.465 7.042 1.00 0.00 N ATOM 940 CA ARG A 61 -1.383 10.672 7.564 1.00 0.00 C ATOM 941 C ARG A 61 -1.043 11.869 6.674 1.00 0.00 C ATOM 942 O ARG A 61 -0.757 12.956 7.173 1.00 0.00 O ATOM 943 CB ARG A 61 -0.915 10.957 8.992 1.00 0.00 C ATOM 944 CG ARG A 61 -1.742 12.077 9.627 1.00 0.00 C ATOM 945 CD ARG A 61 -0.857 13.009 10.457 1.00 0.00 C ATOM 946 NE ARG A 61 -1.392 13.123 11.832 1.00 0.00 N ATOM 947 CZ ARG A 61 -0.945 13.999 12.742 1.00 0.00 C ATOM 948 NH1 ARG A 61 0.048 14.842 12.429 1.00 0.00 N ATOM 949 NH2 ARG A 61 -1.490 14.031 13.966 1.00 0.00 N ATOM 0 H ARG A 61 0.162 9.265 7.416 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.462 10.516 7.572 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.999 10.052 9.594 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.138 11.237 8.984 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.247 12.648 8.848 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.518 11.647 10.260 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.163 12.626 10.485 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.815 13.994 9.992 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.149 12.495 12.104 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.464 14.817 11.498 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.388 15.509 13.122 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.245 13.388 14.205 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.150 14.698 14.659 1.00 0.00 H new ATOM 963 N THR A 62 -1.087 11.629 5.371 1.00 0.00 N ATOM 964 CA THR A 62 -0.787 12.674 4.407 1.00 0.00 C ATOM 965 C THR A 62 -1.404 12.339 3.048 1.00 0.00 C ATOM 966 O THR A 62 -2.010 13.198 2.409 1.00 0.00 O ATOM 967 CB THR A 62 0.732 12.850 4.358 1.00 0.00 C ATOM 968 OG1 THR A 62 1.050 13.470 5.601 1.00 0.00 O ATOM 969 CG2 THR A 62 1.169 13.874 3.308 1.00 0.00 C ATOM 0 H THR A 62 -1.326 10.726 4.961 1.00 0.00 H new ATOM 0 HA THR A 62 -1.229 13.625 4.704 1.00 0.00 H new ATOM 0 HB THR A 62 1.202 11.890 4.146 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.225 13.765 6.040 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.256 13.961 3.315 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.837 13.549 2.322 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.726 14.843 3.538 1.00 0.00 H new ATOM 977 N TYR A 63 -1.230 11.088 2.647 1.00 0.00 N ATOM 978 CA TYR A 63 -1.762 10.629 1.376 1.00 0.00 C ATOM 979 C TYR A 63 -2.720 9.453 1.575 1.00 0.00 C ATOM 980 O TYR A 63 -2.700 8.801 2.618 1.00 0.00 O ATOM 981 CB TYR A 63 -0.557 10.157 0.560 1.00 0.00 C ATOM 982 CG TYR A 63 0.348 11.291 0.074 1.00 0.00 C ATOM 983 CD1 TYR A 63 1.386 11.735 0.868 1.00 0.00 C ATOM 984 CD2 TYR A 63 0.126 11.871 -1.159 1.00 0.00 C ATOM 985 CE1 TYR A 63 2.237 12.802 0.411 1.00 0.00 C ATOM 986 CE2 TYR A 63 0.978 12.938 -1.616 1.00 0.00 C ATOM 987 CZ TYR A 63 1.991 13.351 -0.809 1.00 0.00 C ATOM 988 OH TYR A 63 2.796 14.359 -1.241 1.00 0.00 O ATOM 0 H TYR A 63 -0.728 10.378 3.180 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.315 11.427 0.881 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.033 9.470 1.166 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.913 9.595 -0.303 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.560 11.282 1.833 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.686 11.525 -1.781 1.00 0.00 H new ATOM 0 HE1 TYR A 63 3.052 13.159 1.023 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.816 13.400 -2.579 1.00 0.00 H new ATOM 0 HH TYR A 63 2.504 14.653 -2.129 1.00 0.00 H new ATOM 998 N HIS A 64 -3.536 9.216 0.558 1.00 0.00 N ATOM 999 CA HIS A 64 -4.499 8.130 0.608 1.00 0.00 C ATOM 1000 C HIS A 64 -4.405 7.301 -0.674 1.00 0.00 C ATOM 1001 O HIS A 64 -3.642 7.634 -1.579 1.00 0.00 O ATOM 1002 CB HIS A 64 -5.909 8.666 0.866 1.00 0.00 C ATOM 1003 CG HIS A 64 -6.182 9.006 2.311 1.00 0.00 C ATOM 1004 ND1 HIS A 64 -6.249 8.048 3.308 1.00 0.00 N ATOM 1005 CD2 HIS A 64 -6.404 10.208 2.917 1.00 0.00 C ATOM 1006 CE1 HIS A 64 -6.501 8.657 4.457 1.00 0.00 C ATOM 1007 NE2 HIS A 64 -6.597 9.995 4.213 1.00 0.00 N ATOM 0 H HIS A 64 -3.550 9.758 -0.306 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.265 7.470 1.443 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.065 9.557 0.258 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.635 7.924 0.535 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -6.420 11.170 2.426 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.611 8.178 5.419 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -6.786 10.714 4.911 1.00 0.00 H new ATOM 1015 N LEU A 65 -5.192 6.235 -0.710 1.00 0.00 N ATOM 1016 CA LEU A 65 -5.207 5.355 -1.867 1.00 0.00 C ATOM 1017 C LEU A 65 -6.477 5.611 -2.680 1.00 0.00 C ATOM 1018 O LEU A 65 -7.574 5.659 -2.127 1.00 0.00 O ATOM 1019 CB LEU A 65 -5.038 3.898 -1.433 1.00 0.00 C ATOM 1020 CG LEU A 65 -4.007 3.641 -0.331 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -4.310 2.336 0.409 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -2.585 3.664 -0.894 1.00 0.00 C ATOM 0 H LEU A 65 -5.823 5.961 0.043 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.361 5.569 -2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.005 3.527 -1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.760 3.309 -2.307 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.077 4.448 0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.563 2.177 1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.299 2.396 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.284 1.504 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.872 3.479 -0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.483 2.891 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.385 4.639 -1.338 1.00 0.00 H new ATOM 1034 N THR A 66 -6.285 5.770 -3.982 1.00 0.00 N ATOM 1035 CA THR A 66 -7.402 6.020 -4.877 1.00 0.00 C ATOM 1036 C THR A 66 -7.679 4.787 -5.741 1.00 0.00 C ATOM 1037 O THR A 66 -6.938 3.807 -5.686 1.00 0.00 O ATOM 1038 CB THR A 66 -7.082 7.273 -5.694 1.00 0.00 C ATOM 1039 OG1 THR A 66 -8.067 7.279 -6.723 1.00 0.00 O ATOM 1040 CG2 THR A 66 -5.756 7.158 -6.448 1.00 0.00 C ATOM 0 H THR A 66 -5.373 5.731 -4.438 1.00 0.00 H new ATOM 0 HA THR A 66 -8.321 6.203 -4.320 1.00 0.00 H new ATOM 0 HB THR A 66 -7.049 8.138 -5.032 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.934 8.061 -7.299 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.577 8.074 -7.011 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.945 7.006 -5.736 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.800 6.312 -7.134 1.00 0.00 H new ATOM 1048 N SER A 67 -8.749 4.877 -6.517 1.00 0.00 N ATOM 1049 CA SER A 67 -9.134 3.782 -7.391 1.00 0.00 C ATOM 1050 C SER A 67 -10.387 4.159 -8.183 1.00 0.00 C ATOM 1051 O SER A 67 -11.357 4.660 -7.615 1.00 0.00 O ATOM 1052 CB SER A 67 -9.376 2.499 -6.592 1.00 0.00 C ATOM 1053 OG SER A 67 -10.395 1.692 -7.176 1.00 0.00 O ATOM 0 H SER A 67 -9.362 5.692 -6.559 1.00 0.00 H new ATOM 0 HA SER A 67 -8.316 3.596 -8.087 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.450 1.928 -6.534 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.657 2.755 -5.571 1.00 0.00 H new ATOM 0 HG SER A 67 -11.125 1.571 -6.534 1.00 0.00 H new ATOM 1059 N ALA A 68 -10.327 3.904 -9.481 1.00 0.00 N ATOM 1060 CA ALA A 68 -11.446 4.210 -10.357 1.00 0.00 C ATOM 1061 C ALA A 68 -11.586 5.728 -10.485 1.00 0.00 C ATOM 1062 O ALA A 68 -11.412 6.282 -11.569 1.00 0.00 O ATOM 1063 CB ALA A 68 -12.715 3.551 -9.813 1.00 0.00 C ATOM 0 H ALA A 68 -9.521 3.489 -9.948 1.00 0.00 H new ATOM 0 HA ALA A 68 -11.273 3.809 -11.356 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -13.554 3.780 -10.470 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -12.574 2.471 -9.768 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -12.922 3.931 -8.813 1.00 0.00 H new ATOM 1069 N GLY A 69 -11.900 6.359 -9.362 1.00 0.00 N ATOM 1070 CA GLY A 69 -12.066 7.802 -9.336 1.00 0.00 C ATOM 1071 C GLY A 69 -12.645 8.262 -7.996 1.00 0.00 C ATOM 1072 O GLY A 69 -13.485 9.160 -7.955 1.00 0.00 O ATOM 0 H GLY A 69 -12.044 5.897 -8.464 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.104 8.286 -9.506 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.726 8.111 -10.147 1.00 0.00 H new ATOM 1076 N GLU A 70 -12.172 7.627 -6.934 1.00 0.00 N ATOM 1077 CA GLU A 70 -12.632 7.961 -5.597 1.00 0.00 C ATOM 1078 C GLU A 70 -11.494 7.795 -4.587 1.00 0.00 C ATOM 1079 O GLU A 70 -10.516 7.098 -4.857 1.00 0.00 O ATOM 1080 CB GLU A 70 -13.841 7.109 -5.204 1.00 0.00 C ATOM 1081 CG GLU A 70 -15.149 7.815 -5.566 1.00 0.00 C ATOM 1082 CD GLU A 70 -15.861 8.326 -4.311 1.00 0.00 C ATOM 1083 OE1 GLU A 70 -16.419 7.472 -3.588 1.00 0.00 O ATOM 1084 OE2 GLU A 70 -15.832 9.558 -4.104 1.00 0.00 O ATOM 0 H GLU A 70 -11.475 6.883 -6.972 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.947 9.005 -5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.791 6.145 -5.711 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.816 6.908 -4.133 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.943 8.649 -6.237 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.801 7.127 -6.104 1.00 0.00 H new ATOM 1091 N LYS A 71 -11.658 8.447 -3.446 1.00 0.00 N ATOM 1092 CA LYS A 71 -10.657 8.381 -2.395 1.00 0.00 C ATOM 1093 C LYS A 71 -10.978 7.211 -1.463 1.00 0.00 C ATOM 1094 O LYS A 71 -12.038 7.183 -0.839 1.00 0.00 O ATOM 1095 CB LYS A 71 -10.544 9.727 -1.676 1.00 0.00 C ATOM 1096 CG LYS A 71 -10.436 10.877 -2.679 1.00 0.00 C ATOM 1097 CD LYS A 71 -9.974 12.163 -1.991 1.00 0.00 C ATOM 1098 CE LYS A 71 -8.892 12.867 -2.814 1.00 0.00 C ATOM 1099 NZ LYS A 71 -8.966 14.332 -2.622 1.00 0.00 N ATOM 0 H LYS A 71 -12.470 9.024 -3.226 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.672 8.190 -2.820 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.415 9.877 -1.038 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.669 9.724 -1.026 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.734 10.611 -3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.403 11.042 -3.154 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.824 12.832 -1.853 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.587 11.930 -0.999 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.908 12.505 -2.517 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.015 12.626 -3.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.225 14.794 -3.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.899 14.675 -2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.826 14.558 -1.617 1.00 0.00 H new ATOM 1113 N LEU A 72 -10.044 6.273 -1.398 1.00 0.00 N ATOM 1114 CA LEU A 72 -10.215 5.104 -0.553 1.00 0.00 C ATOM 1115 C LEU A 72 -9.860 5.467 0.890 1.00 0.00 C ATOM 1116 O LEU A 72 -8.766 5.157 1.360 1.00 0.00 O ATOM 1117 CB LEU A 72 -9.415 3.923 -1.105 1.00 0.00 C ATOM 1118 CG LEU A 72 -9.502 3.701 -2.616 1.00 0.00 C ATOM 1119 CD1 LEU A 72 -8.479 2.661 -3.078 1.00 0.00 C ATOM 1120 CD2 LEU A 72 -10.926 3.329 -3.035 1.00 0.00 C ATOM 0 H LEU A 72 -9.166 6.299 -1.917 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.256 4.782 -0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.367 4.063 -0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.753 3.015 -0.605 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.255 4.639 -3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.562 2.522 -4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.474 3.005 -2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.671 1.713 -2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.960 3.177 -4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.226 2.411 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.608 4.134 -2.761 1.00 0.00 H new ATOM 1132 N THR A 73 -10.804 6.118 1.552 1.00 0.00 N ATOM 1133 CA THR A 73 -10.604 6.527 2.933 1.00 0.00 C ATOM 1134 C THR A 73 -11.409 5.630 3.876 1.00 0.00 C ATOM 1135 O THR A 73 -11.118 5.558 5.069 1.00 0.00 O ATOM 1136 CB THR A 73 -10.968 8.008 3.045 1.00 0.00 C ATOM 1137 OG1 THR A 73 -12.393 8.020 3.013 1.00 0.00 O ATOM 1138 CG2 THR A 73 -10.562 8.807 1.804 1.00 0.00 C ATOM 0 H THR A 73 -11.710 6.373 1.159 1.00 0.00 H new ATOM 0 HA THR A 73 -9.563 6.410 3.234 1.00 0.00 H new ATOM 0 HB THR A 73 -10.486 8.433 3.925 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.714 8.943 3.082 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.843 9.852 1.936 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.483 8.737 1.663 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.070 8.402 0.929 1.00 0.00 H new ATOM 1146 N GLU A 74 -12.406 4.970 3.305 1.00 0.00 N ATOM 1147 CA GLU A 74 -13.256 4.081 4.080 1.00 0.00 C ATOM 1148 C GLU A 74 -12.527 2.766 4.366 1.00 0.00 C ATOM 1149 O GLU A 74 -12.224 2.008 3.446 1.00 0.00 O ATOM 1150 CB GLU A 74 -14.583 3.828 3.364 1.00 0.00 C ATOM 1151 CG GLU A 74 -15.602 4.921 3.695 1.00 0.00 C ATOM 1152 CD GLU A 74 -15.748 5.905 2.532 1.00 0.00 C ATOM 1153 OE1 GLU A 74 -14.826 6.732 2.370 1.00 0.00 O ATOM 1154 OE2 GLU A 74 -16.780 5.807 1.833 1.00 0.00 O ATOM 0 H GLU A 74 -12.644 5.033 2.315 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.481 4.563 5.031 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.418 3.793 2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.979 2.856 3.657 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.568 4.467 3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.289 5.456 4.592 1.00 0.00 H new ATOM 1161 N ASP A 75 -12.268 2.536 5.645 1.00 0.00 N ATOM 1162 CA ASP A 75 -11.581 1.326 6.063 1.00 0.00 C ATOM 1163 C ASP A 75 -12.584 0.172 6.128 1.00 0.00 C ATOM 1164 O ASP A 75 -12.236 -0.974 5.846 1.00 0.00 O ATOM 1165 CB ASP A 75 -10.964 1.495 7.453 1.00 0.00 C ATOM 1166 CG ASP A 75 -10.463 2.905 7.771 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -9.977 3.561 6.825 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -10.578 3.295 8.953 1.00 0.00 O ATOM 0 H ASP A 75 -12.522 3.167 6.405 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.791 1.120 5.341 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.706 1.212 8.200 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.131 0.799 7.551 1.00 0.00 H new ATOM 1173 N ARG A 76 -13.808 0.514 6.501 1.00 0.00 N ATOM 1174 CA ARG A 76 -14.863 -0.479 6.607 1.00 0.00 C ATOM 1175 C ARG A 76 -15.362 -0.874 5.215 1.00 0.00 C ATOM 1176 O ARG A 76 -16.000 -1.913 5.052 1.00 0.00 O ATOM 1177 CB ARG A 76 -16.039 0.052 7.430 1.00 0.00 C ATOM 1178 CG ARG A 76 -15.852 -0.260 8.916 1.00 0.00 C ATOM 1179 CD ARG A 76 -16.407 -1.643 9.261 1.00 0.00 C ATOM 1180 NE ARG A 76 -15.888 -2.085 10.574 1.00 0.00 N ATOM 1181 CZ ARG A 76 -16.434 -3.065 11.307 1.00 0.00 C ATOM 1182 NH1 ARG A 76 -17.519 -3.711 10.860 1.00 0.00 N ATOM 1183 NH2 ARG A 76 -15.894 -3.399 12.487 1.00 0.00 N ATOM 0 H ARG A 76 -14.093 1.465 6.734 1.00 0.00 H new ATOM 0 HA ARG A 76 -14.447 -1.352 7.110 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -16.129 1.129 7.289 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -16.968 -0.395 7.075 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.793 -0.216 9.170 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -16.356 0.498 9.516 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -17.496 -1.611 9.284 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -16.125 -2.360 8.490 1.00 0.00 H new ATOM 0 HE ARG A 76 -15.063 -1.614 10.945 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -17.930 -3.457 9.962 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -17.934 -4.457 11.418 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -15.068 -2.907 12.827 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -16.309 -4.145 13.045 1.00 0.00 H new ATOM 1197 N LYS A 77 -15.052 -0.023 4.247 1.00 0.00 N ATOM 1198 CA LYS A 77 -15.460 -0.270 2.875 1.00 0.00 C ATOM 1199 C LYS A 77 -14.429 -1.174 2.195 1.00 0.00 C ATOM 1200 O LYS A 77 -13.248 -0.836 2.132 1.00 0.00 O ATOM 1201 CB LYS A 77 -15.700 1.051 2.141 1.00 0.00 C ATOM 1202 CG LYS A 77 -16.212 0.804 0.721 1.00 0.00 C ATOM 1203 CD LYS A 77 -17.070 1.975 0.236 1.00 0.00 C ATOM 1204 CE LYS A 77 -18.374 1.477 -0.390 1.00 0.00 C ATOM 1205 NZ LYS A 77 -19.465 2.449 -0.157 1.00 0.00 N ATOM 0 H LYS A 77 -14.523 0.838 4.386 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.413 -0.799 2.850 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.423 1.652 2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.773 1.624 2.103 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.368 0.663 0.046 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -16.797 -0.115 0.696 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.294 2.637 1.072 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.512 2.561 -0.495 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -18.236 1.326 -1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.643 0.510 0.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.343 2.096 -0.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.607 2.573 0.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.213 3.363 -0.584 1.00 0.00 H new ATOM 1219 N LYS A 78 -14.913 -2.305 1.704 1.00 0.00 N ATOM 1220 CA LYS A 78 -14.049 -3.259 1.031 1.00 0.00 C ATOM 1221 C LYS A 78 -13.566 -2.660 -0.291 1.00 0.00 C ATOM 1222 O LYS A 78 -14.177 -1.730 -0.815 1.00 0.00 O ATOM 1223 CB LYS A 78 -14.757 -4.606 0.873 1.00 0.00 C ATOM 1224 CG LYS A 78 -14.930 -5.297 2.227 1.00 0.00 C ATOM 1225 CD LYS A 78 -16.410 -5.415 2.598 1.00 0.00 C ATOM 1226 CE LYS A 78 -16.645 -6.594 3.545 1.00 0.00 C ATOM 1227 NZ LYS A 78 -17.300 -6.135 4.790 1.00 0.00 N ATOM 0 H LYS A 78 -15.893 -2.582 1.759 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.163 -3.460 1.633 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.732 -4.456 0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -14.182 -5.247 0.205 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.480 -6.289 2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.402 -4.734 2.997 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.745 -4.492 3.071 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -17.006 -5.545 1.695 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -17.266 -7.344 3.055 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.695 -7.073 3.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.452 -6.947 5.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.693 -5.436 5.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -18.216 -5.699 4.560 1.00 0.00 H new ATOM 1241 N LEU A 79 -12.473 -3.217 -0.793 1.00 0.00 N ATOM 1242 CA LEU A 79 -11.901 -2.749 -2.044 1.00 0.00 C ATOM 1243 C LEU A 79 -12.875 -3.044 -3.187 1.00 0.00 C ATOM 1244 O LEU A 79 -13.068 -2.214 -4.073 1.00 0.00 O ATOM 1245 CB LEU A 79 -10.508 -3.345 -2.253 1.00 0.00 C ATOM 1246 CG LEU A 79 -9.460 -2.988 -1.196 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -8.129 -3.683 -1.488 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -9.301 -1.472 -1.073 1.00 0.00 C ATOM 0 H LEU A 79 -11.969 -3.988 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.758 -1.669 -2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.601 -4.430 -2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.138 -3.022 -3.226 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.809 -3.354 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.402 -3.413 -0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.274 -4.763 -1.485 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.761 -3.369 -2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.551 -1.245 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.985 -1.060 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.254 -1.028 -0.784 1.00 0.00 H new ATOM 1260 N ARG A 80 -13.462 -4.231 -3.129 1.00 0.00 N ATOM 1261 CA ARG A 80 -14.410 -4.646 -4.148 1.00 0.00 C ATOM 1262 C ARG A 80 -15.578 -3.660 -4.221 1.00 0.00 C ATOM 1263 O ARG A 80 -16.246 -3.558 -5.249 1.00 0.00 O ATOM 1264 CB ARG A 80 -14.952 -6.047 -3.858 1.00 0.00 C ATOM 1265 CG ARG A 80 -15.232 -6.228 -2.364 1.00 0.00 C ATOM 1266 CD ARG A 80 -16.379 -7.215 -2.137 1.00 0.00 C ATOM 1267 NE ARG A 80 -17.230 -6.753 -1.017 1.00 0.00 N ATOM 1268 CZ ARG A 80 -18.463 -7.217 -0.770 1.00 0.00 C ATOM 1269 NH1 ARG A 80 -18.996 -8.157 -1.562 1.00 0.00 N ATOM 1270 NH2 ARG A 80 -19.162 -6.739 0.269 1.00 0.00 N ATOM 0 H ARG A 80 -13.299 -4.918 -2.392 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.884 -4.662 -5.103 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -15.868 -6.211 -4.426 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -14.232 -6.795 -4.190 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.333 -6.588 -1.863 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -15.482 -5.265 -1.918 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -16.976 -7.307 -3.044 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.980 -8.205 -1.917 1.00 0.00 H new ATOM 0 HE ARG A 80 -16.855 -6.037 -0.395 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -18.463 -8.520 -2.353 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -19.934 -8.510 -1.374 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -18.756 -6.023 0.871 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -20.100 -7.091 0.458 1.00 0.00 H new ATOM 1284 N ASP A 81 -15.789 -2.960 -3.116 1.00 0.00 N ATOM 1285 CA ASP A 81 -16.864 -1.985 -3.042 1.00 0.00 C ATOM 1286 C ASP A 81 -16.496 -0.761 -3.883 1.00 0.00 C ATOM 1287 O ASP A 81 -17.362 0.041 -4.229 1.00 0.00 O ATOM 1288 CB ASP A 81 -17.087 -1.520 -1.601 1.00 0.00 C ATOM 1289 CG ASP A 81 -17.392 -2.636 -0.601 1.00 0.00 C ATOM 1290 OD1 ASP A 81 -17.500 -3.794 -1.058 1.00 0.00 O ATOM 1291 OD2 ASP A 81 -17.512 -2.306 0.599 1.00 0.00 O ATOM 0 H ASP A 81 -15.234 -3.049 -2.265 1.00 0.00 H new ATOM 0 HA ASP A 81 -17.774 -2.457 -3.414 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.198 -0.986 -1.266 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -17.911 -0.807 -1.589 1.00 0.00 H new ATOM 1296 N TYR A 82 -15.211 -0.656 -4.187 1.00 0.00 N ATOM 1297 CA TYR A 82 -14.719 0.456 -4.981 1.00 0.00 C ATOM 1298 C TYR A 82 -14.460 0.027 -6.427 1.00 0.00 C ATOM 1299 O TYR A 82 -13.834 0.757 -7.193 1.00 0.00 O ATOM 1300 CB TYR A 82 -13.393 0.876 -4.342 1.00 0.00 C ATOM 1301 CG TYR A 82 -13.543 1.899 -3.214 1.00 0.00 C ATOM 1302 CD1 TYR A 82 -13.666 3.241 -3.511 1.00 0.00 C ATOM 1303 CD2 TYR A 82 -13.555 1.479 -1.899 1.00 0.00 C ATOM 1304 CE1 TYR A 82 -13.807 4.204 -2.449 1.00 0.00 C ATOM 1305 CE2 TYR A 82 -13.696 2.442 -0.838 1.00 0.00 C ATOM 1306 CZ TYR A 82 -13.815 3.757 -1.165 1.00 0.00 C ATOM 1307 OH TYR A 82 -13.948 4.666 -0.162 1.00 0.00 O ATOM 0 H TYR A 82 -14.496 -1.323 -3.898 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.449 1.265 -5.001 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.893 -0.010 -3.951 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.746 1.293 -5.113 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -13.657 3.569 -4.540 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.459 0.429 -1.666 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -13.904 5.257 -2.668 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.707 2.127 0.195 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.376 5.441 -0.345 1.00 0.00 H new ATOM 1317 N GLY A 83 -14.957 -1.157 -6.756 1.00 0.00 N ATOM 1318 CA GLY A 83 -14.788 -1.693 -8.096 1.00 0.00 C ATOM 1319 C GLY A 83 -13.378 -2.255 -8.288 1.00 0.00 C ATOM 1320 O GLY A 83 -12.888 -2.341 -9.413 1.00 0.00 O ATOM 0 H GLY A 83 -15.476 -1.760 -6.118 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -15.523 -2.478 -8.273 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.974 -0.910 -8.831 1.00 0.00 H new ATOM 1324 N ILE A 84 -12.766 -2.624 -7.172 1.00 0.00 N ATOM 1325 CA ILE A 84 -11.422 -3.175 -7.203 1.00 0.00 C ATOM 1326 C ILE A 84 -11.503 -4.703 -7.203 1.00 0.00 C ATOM 1327 O ILE A 84 -12.170 -5.293 -6.355 1.00 0.00 O ATOM 1328 CB ILE A 84 -10.581 -2.604 -6.059 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -10.690 -1.079 -6.008 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -9.128 -3.072 -6.160 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -10.092 -0.530 -4.711 1.00 0.00 C ATOM 0 H ILE A 84 -13.176 -2.552 -6.241 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.911 -2.881 -8.120 1.00 0.00 H new ATOM 0 HB ILE A 84 -10.977 -2.987 -5.119 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.173 -0.645 -6.864 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.736 -0.783 -6.084 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.552 -2.652 -5.335 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.092 -4.160 -6.110 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.703 -2.738 -7.106 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.182 0.556 -4.700 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.627 -0.947 -3.858 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -9.040 -0.807 -4.650 1.00 0.00 H new ATOM 1343 N ARG A 85 -10.813 -5.300 -8.164 1.00 0.00 N ATOM 1344 CA ARG A 85 -10.799 -6.748 -8.286 1.00 0.00 C ATOM 1345 C ARG A 85 -9.359 -7.265 -8.307 1.00 0.00 C ATOM 1346 O ARG A 85 -8.416 -6.492 -8.141 1.00 0.00 O ATOM 1347 CB ARG A 85 -11.514 -7.201 -9.560 1.00 0.00 C ATOM 1348 CG ARG A 85 -12.988 -6.791 -9.537 1.00 0.00 C ATOM 1349 CD ARG A 85 -13.766 -7.601 -8.498 1.00 0.00 C ATOM 1350 NE ARG A 85 -14.498 -8.703 -9.160 1.00 0.00 N ATOM 1351 CZ ARG A 85 -14.995 -9.768 -8.516 1.00 0.00 C ATOM 1352 NH1 ARG A 85 -14.842 -9.881 -7.190 1.00 0.00 N ATOM 1353 NH2 ARG A 85 -15.646 -10.720 -9.199 1.00 0.00 N ATOM 0 H ARG A 85 -10.260 -4.807 -8.865 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.324 -7.158 -7.423 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -11.025 -6.764 -10.431 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.435 -8.284 -9.660 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.070 -5.728 -9.310 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -13.427 -6.941 -10.523 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -13.081 -8.005 -7.752 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -14.466 -6.954 -7.970 1.00 0.00 H new ATOM 0 HE ARG A 85 -14.633 -8.649 -10.170 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -14.347 -9.156 -6.670 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -15.220 -10.692 -6.700 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -15.763 -10.634 -10.209 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -16.024 -11.531 -8.709 1.00 0.00 H new ATOM 1367 N ASN A 86 -9.234 -8.568 -8.512 1.00 0.00 N ATOM 1368 CA ASN A 86 -7.924 -9.196 -8.557 1.00 0.00 C ATOM 1369 C ASN A 86 -7.133 -8.633 -9.740 1.00 0.00 C ATOM 1370 O ASN A 86 -7.668 -8.495 -10.839 1.00 0.00 O ATOM 1371 CB ASN A 86 -8.046 -10.709 -8.747 1.00 0.00 C ATOM 1372 CG ASN A 86 -6.695 -11.326 -9.116 1.00 0.00 C ATOM 1373 OD1 ASN A 86 -5.788 -11.425 -8.307 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -6.614 -11.733 -10.380 1.00 0.00 N ATOM 0 H ASN A 86 -10.018 -9.206 -8.649 1.00 0.00 H new ATOM 0 HA ASN A 86 -7.418 -8.990 -7.614 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -8.420 -11.165 -7.830 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -8.774 -10.923 -9.530 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.753 -12.158 -10.725 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -7.413 -11.620 -11.004 1.00 0.00 H new ATOM 1381 N ARG A 87 -5.873 -8.324 -9.474 1.00 0.00 N ATOM 1382 CA ARG A 87 -5.003 -7.779 -10.502 1.00 0.00 C ATOM 1383 C ARG A 87 -5.531 -6.425 -10.981 1.00 0.00 C ATOM 1384 O ARG A 87 -6.004 -6.303 -12.110 1.00 0.00 O ATOM 1385 CB ARG A 87 -4.899 -8.730 -11.696 1.00 0.00 C ATOM 1386 CG ARG A 87 -3.488 -8.717 -12.287 1.00 0.00 C ATOM 1387 CD ARG A 87 -3.532 -8.785 -13.814 1.00 0.00 C ATOM 1388 NE ARG A 87 -2.174 -8.588 -14.369 1.00 0.00 N ATOM 1389 CZ ARG A 87 -1.609 -7.390 -14.565 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -2.280 -6.273 -14.252 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -0.372 -7.307 -15.073 1.00 0.00 N ATOM 0 H ARG A 87 -5.433 -8.441 -8.561 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.012 -7.652 -10.066 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.156 -9.742 -11.383 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.620 -8.440 -12.460 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.968 -7.812 -11.975 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.919 -9.562 -11.898 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.927 -9.750 -14.132 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.206 -8.021 -14.201 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.635 -9.417 -14.618 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.221 -6.335 -13.864 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.849 -5.361 -14.401 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.140 -8.157 -15.311 1.00 0.00 H new ATOM 0 HH22 ARG A 87 0.058 -6.394 -15.222 1.00 0.00 H new ATOM 1405 N ASP A 88 -5.432 -5.441 -10.099 1.00 0.00 N ATOM 1406 CA ASP A 88 -5.893 -4.101 -10.418 1.00 0.00 C ATOM 1407 C ASP A 88 -4.746 -3.109 -10.214 1.00 0.00 C ATOM 1408 O ASP A 88 -3.738 -3.440 -9.591 1.00 0.00 O ATOM 1409 CB ASP A 88 -7.047 -3.684 -9.503 1.00 0.00 C ATOM 1410 CG ASP A 88 -8.445 -3.936 -10.070 1.00 0.00 C ATOM 1411 OD1 ASP A 88 -8.693 -5.092 -10.475 1.00 0.00 O ATOM 1412 OD2 ASP A 88 -9.235 -2.967 -10.086 1.00 0.00 O ATOM 0 H ASP A 88 -5.039 -5.545 -9.164 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.234 -4.099 -11.453 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -6.953 -4.219 -8.558 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.948 -2.622 -9.280 1.00 0.00 H new ATOM 1417 N GLU A 89 -4.937 -1.914 -10.752 1.00 0.00 N ATOM 1418 CA GLU A 89 -3.931 -0.872 -10.637 1.00 0.00 C ATOM 1419 C GLU A 89 -4.446 0.269 -9.757 1.00 0.00 C ATOM 1420 O GLU A 89 -5.388 0.967 -10.128 1.00 0.00 O ATOM 1421 CB GLU A 89 -3.516 -0.356 -12.016 1.00 0.00 C ATOM 1422 CG GLU A 89 -2.816 -1.451 -12.824 1.00 0.00 C ATOM 1423 CD GLU A 89 -1.918 -0.846 -13.905 1.00 0.00 C ATOM 1424 OE1 GLU A 89 -0.822 -0.373 -13.533 1.00 0.00 O ATOM 1425 OE2 GLU A 89 -2.348 -0.869 -15.078 1.00 0.00 O ATOM 0 H GLU A 89 -5.774 -1.644 -11.269 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.047 -1.299 -10.164 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.395 -0.006 -12.557 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.850 0.499 -11.903 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.220 -2.074 -12.158 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.561 -2.099 -13.286 1.00 0.00 H new ATOM 1432 N VAL A 90 -3.804 0.423 -8.608 1.00 0.00 N ATOM 1433 CA VAL A 90 -4.186 1.467 -7.672 1.00 0.00 C ATOM 1434 C VAL A 90 -3.074 2.515 -7.603 1.00 0.00 C ATOM 1435 O VAL A 90 -1.906 2.202 -7.828 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.514 0.853 -6.309 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -4.346 1.883 -5.190 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -5.925 0.260 -6.301 1.00 0.00 C ATOM 0 H VAL A 90 -3.022 -0.157 -8.304 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.090 1.973 -8.012 1.00 0.00 H new ATOM 0 HB VAL A 90 -3.808 0.042 -6.127 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.585 1.422 -4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.316 2.239 -5.174 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.017 2.724 -5.365 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.133 -0.170 -5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.651 1.045 -6.515 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.997 -0.518 -7.061 1.00 0.00 H new ATOM 1448 N SER A 91 -3.476 3.738 -7.291 1.00 0.00 N ATOM 1449 CA SER A 91 -2.528 4.835 -7.189 1.00 0.00 C ATOM 1450 C SER A 91 -2.701 5.554 -5.850 1.00 0.00 C ATOM 1451 O SER A 91 -3.688 5.338 -5.149 1.00 0.00 O ATOM 1452 CB SER A 91 -2.700 5.820 -8.347 1.00 0.00 C ATOM 1453 OG SER A 91 -3.943 5.641 -9.021 1.00 0.00 O ATOM 0 H SER A 91 -4.446 3.994 -7.105 1.00 0.00 H new ATOM 0 HA SER A 91 -1.520 4.423 -7.244 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.637 6.840 -7.968 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.882 5.693 -9.056 1.00 0.00 H new ATOM 0 HG SER A 91 -4.015 6.290 -9.752 1.00 0.00 H new ATOM 1459 N PHE A 92 -1.726 6.394 -5.536 1.00 0.00 N ATOM 1460 CA PHE A 92 -1.757 7.146 -4.293 1.00 0.00 C ATOM 1461 C PHE A 92 -2.173 8.597 -4.541 1.00 0.00 C ATOM 1462 O PHE A 92 -1.626 9.262 -5.420 1.00 0.00 O ATOM 1463 CB PHE A 92 -0.339 7.125 -3.721 1.00 0.00 C ATOM 1464 CG PHE A 92 -0.186 6.262 -2.467 1.00 0.00 C ATOM 1465 CD1 PHE A 92 -0.804 6.626 -1.311 1.00 0.00 C ATOM 1466 CD2 PHE A 92 0.567 5.130 -2.508 1.00 0.00 C ATOM 1467 CE1 PHE A 92 -0.662 5.825 -0.147 1.00 0.00 C ATOM 1468 CE2 PHE A 92 0.709 4.329 -1.344 1.00 0.00 C ATOM 1469 CZ PHE A 92 0.091 4.693 -0.188 1.00 0.00 C ATOM 0 H PHE A 92 -0.909 6.571 -6.121 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.478 6.701 -3.607 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.345 6.759 -4.487 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.038 8.146 -3.486 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.403 7.524 -1.279 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.057 4.840 -3.426 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.152 6.115 0.771 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.308 3.431 -1.376 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.198 4.083 0.697 1.00 0.00 H new ATOM 1479 N ILE A 93 -3.137 9.047 -3.751 1.00 0.00 N ATOM 1480 CA ILE A 93 -3.632 10.407 -3.873 1.00 0.00 C ATOM 1481 C ILE A 93 -3.200 11.215 -2.648 1.00 0.00 C ATOM 1482 O ILE A 93 -2.712 10.652 -1.669 1.00 0.00 O ATOM 1483 CB ILE A 93 -5.144 10.408 -4.108 1.00 0.00 C ATOM 1484 CG1 ILE A 93 -5.584 11.674 -4.846 1.00 0.00 C ATOM 1485 CG2 ILE A 93 -5.903 10.217 -2.794 1.00 0.00 C ATOM 1486 CD1 ILE A 93 -6.667 11.359 -5.879 1.00 0.00 C ATOM 0 H ILE A 93 -3.589 8.493 -3.023 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.196 10.893 -4.746 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.391 9.561 -4.748 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.961 12.404 -4.130 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.725 12.127 -5.341 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.975 10.222 -2.989 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.620 9.265 -2.345 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.655 11.028 -2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.961 12.276 -6.389 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -6.279 10.647 -6.608 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -7.534 10.928 -5.378 1.00 0.00 H new ATOM 1498 N LYS A 94 -3.395 12.522 -2.742 1.00 0.00 N ATOM 1499 CA LYS A 94 -3.031 13.413 -1.653 1.00 0.00 C ATOM 1500 C LYS A 94 -4.296 14.062 -1.087 1.00 0.00 C ATOM 1501 O LYS A 94 -5.266 14.277 -1.813 1.00 0.00 O ATOM 1502 CB LYS A 94 -1.977 14.421 -2.115 1.00 0.00 C ATOM 1503 CG LYS A 94 -1.510 15.298 -0.952 1.00 0.00 C ATOM 1504 CD LYS A 94 -0.788 16.547 -1.461 1.00 0.00 C ATOM 1505 CE LYS A 94 0.568 16.715 -0.773 1.00 0.00 C ATOM 1506 NZ LYS A 94 1.434 17.629 -1.551 1.00 0.00 N ATOM 0 H LYS A 94 -3.800 12.986 -3.555 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.568 12.853 -0.841 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.125 13.892 -2.541 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.390 15.048 -2.905 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -2.367 15.591 -0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.844 14.727 -0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.646 16.475 -2.539 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.404 17.427 -1.278 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.426 17.108 0.234 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.053 15.744 -0.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.350 17.732 -1.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.584 17.238 -2.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.976 18.560 -1.627 1.00 0.00 H new ATOM 1520 N LYS A 95 -4.245 14.357 0.203 1.00 0.00 N ATOM 1521 CA LYS A 95 -5.374 14.977 0.875 1.00 0.00 C ATOM 1522 C LYS A 95 -5.673 16.327 0.220 1.00 0.00 C ATOM 1523 O LYS A 95 -4.918 16.786 -0.636 1.00 0.00 O ATOM 1524 CB LYS A 95 -5.118 15.068 2.381 1.00 0.00 C ATOM 1525 CG LYS A 95 -5.090 13.677 3.017 1.00 0.00 C ATOM 1526 CD LYS A 95 -5.926 13.642 4.298 1.00 0.00 C ATOM 1527 CE LYS A 95 -7.406 13.422 3.980 1.00 0.00 C ATOM 1528 NZ LYS A 95 -8.216 13.476 5.218 1.00 0.00 N ATOM 0 H LYS A 95 -3.439 14.178 0.801 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.267 14.363 0.764 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.170 15.574 2.562 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.896 15.671 2.850 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.472 12.942 2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.061 13.397 3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.568 12.844 4.949 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.803 14.578 4.843 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.750 14.183 3.280 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.540 12.456 3.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -9.218 13.325 4.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.898 12.734 5.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -8.102 14.407 5.667 1.00 0.00 H new ATOM 1542 N LEU A 96 -6.776 16.924 0.646 1.00 0.00 N ATOM 1543 CA LEU A 96 -7.184 18.212 0.112 1.00 0.00 C ATOM 1544 C LEU A 96 -6.380 19.321 0.793 1.00 0.00 C ATOM 1545 O LEU A 96 -6.830 19.901 1.780 1.00 0.00 O ATOM 1546 CB LEU A 96 -8.699 18.387 0.234 1.00 0.00 C ATOM 1547 CG LEU A 96 -9.294 19.603 -0.480 1.00 0.00 C ATOM 1548 CD1 LEU A 96 -10.191 19.171 -1.642 1.00 0.00 C ATOM 1549 CD2 LEU A 96 -10.031 20.512 0.506 1.00 0.00 C ATOM 0 H LEU A 96 -7.400 16.539 1.355 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.964 18.268 -0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.181 17.490 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.953 18.451 1.292 1.00 0.00 H new ATOM 0 HG LEU A 96 -8.475 20.185 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.601 20.054 -2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.605 18.596 -2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -11.006 18.555 -1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -10.444 21.368 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -10.839 19.955 0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.335 20.861 1.269 1.00 0.00 H new ATOM 1561 N GLY A 97 -5.205 19.581 0.240 1.00 0.00 N ATOM 1562 CA GLY A 97 -4.334 20.610 0.783 1.00 0.00 C ATOM 1563 C GLY A 97 -3.879 20.252 2.199 1.00 0.00 C ATOM 1564 O GLY A 97 -4.547 20.593 3.174 1.00 0.00 O ATOM 0 H GLY A 97 -4.835 19.097 -0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -3.464 20.733 0.138 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.858 21.565 0.796 1.00 0.00 H new ATOM 1568 N GLN A 98 -2.745 19.569 2.268 1.00 0.00 N ATOM 1569 CA GLN A 98 -2.194 19.162 3.549 1.00 0.00 C ATOM 1570 C GLN A 98 -0.725 18.762 3.391 1.00 0.00 C ATOM 1571 O GLN A 98 -0.406 17.843 2.639 1.00 0.00 O ATOM 1572 CB GLN A 98 -3.010 18.021 4.160 1.00 0.00 C ATOM 1573 CG GLN A 98 -3.617 18.439 5.501 1.00 0.00 C ATOM 1574 CD GLN A 98 -2.757 17.949 6.668 1.00 0.00 C ATOM 1575 OE1 GLN A 98 -2.005 16.994 6.560 1.00 0.00 O ATOM 1576 NE2 GLN A 98 -2.909 18.653 7.785 1.00 0.00 N ATOM 0 H GLN A 98 -2.193 19.288 1.457 1.00 0.00 H new ATOM 0 HA GLN A 98 -2.249 20.010 4.232 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -3.804 17.728 3.473 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.373 17.148 4.301 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -3.707 19.525 5.541 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.624 18.032 5.591 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -3.556 19.441 7.807 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -2.379 18.405 8.620 1.00 0.00 H new ATOM 1585 N LYS A 99 0.129 19.472 4.113 1.00 0.00 N ATOM 1586 CA LYS A 99 1.556 19.202 4.063 1.00 0.00 C ATOM 1587 C LYS A 99 2.244 19.900 5.238 1.00 0.00 C ATOM 1588 O LYS A 99 2.052 21.095 5.454 1.00 0.00 O ATOM 1589 CB LYS A 99 2.127 19.590 2.697 1.00 0.00 C ATOM 1590 CG LYS A 99 3.301 18.686 2.316 1.00 0.00 C ATOM 1591 CD LYS A 99 4.622 19.456 2.357 1.00 0.00 C ATOM 1592 CE LYS A 99 5.810 18.519 2.128 1.00 0.00 C ATOM 1593 NZ LYS A 99 7.085 19.261 2.243 1.00 0.00 N ATOM 0 H LYS A 99 -0.140 20.234 4.736 1.00 0.00 H new ATOM 0 HA LYS A 99 1.746 18.134 4.171 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.347 19.518 1.939 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.456 20.629 2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.349 17.838 3.000 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.143 18.281 1.317 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.617 20.235 1.595 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.727 19.954 3.321 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.787 17.709 2.856 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.736 18.063 1.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.881 18.610 2.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.111 20.019 1.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.161 19.676 3.194 1.00 0.00 H new ATOM 1607 N SER A 100 3.032 19.123 5.966 1.00 0.00 N ATOM 1608 CA SER A 100 3.750 19.651 7.114 1.00 0.00 C ATOM 1609 C SER A 100 4.562 18.539 7.781 1.00 0.00 C ATOM 1610 O SER A 100 4.002 17.538 8.225 1.00 0.00 O ATOM 1611 CB SER A 100 2.789 20.284 8.122 1.00 0.00 C ATOM 1612 OG SER A 100 1.673 19.441 8.396 1.00 0.00 O ATOM 0 H SER A 100 3.189 18.132 5.783 1.00 0.00 H new ATOM 0 HA SER A 100 4.429 20.428 6.764 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.322 20.493 9.049 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.435 21.240 7.735 1.00 0.00 H new ATOM 0 HG SER A 100 1.972 18.509 8.448 1.00 0.00 H new ATOM 1618 N GLY A 101 5.869 18.752 7.830 1.00 0.00 N ATOM 1619 CA GLY A 101 6.763 17.779 8.435 1.00 0.00 C ATOM 1620 C GLY A 101 7.931 17.454 7.502 1.00 0.00 C ATOM 1621 O GLY A 101 7.753 17.356 6.289 1.00 0.00 O ATOM 0 H GLY A 101 6.330 19.584 7.461 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.144 18.168 9.379 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.212 16.867 8.665 1.00 0.00 H new ATOM 1625 N PRO A 102 9.132 17.290 8.120 1.00 0.00 N ATOM 1626 CA PRO A 102 10.329 16.978 7.359 1.00 0.00 C ATOM 1627 C PRO A 102 10.325 15.517 6.905 1.00 0.00 C ATOM 1628 O PRO A 102 9.375 14.783 7.173 1.00 0.00 O ATOM 1629 CB PRO A 102 11.485 17.307 8.289 1.00 0.00 C ATOM 1630 CG PRO A 102 10.893 17.349 9.689 1.00 0.00 C ATOM 1631 CD PRO A 102 9.380 17.399 9.555 1.00 0.00 C ATOM 0 HA PRO A 102 10.402 17.554 6.436 1.00 0.00 H new ATOM 0 HB2 PRO A 102 12.270 16.554 8.219 1.00 0.00 H new ATOM 0 HB3 PRO A 102 11.937 18.264 8.027 1.00 0.00 H new ATOM 0 HG2 PRO A 102 11.197 16.470 10.258 1.00 0.00 H new ATOM 0 HG3 PRO A 102 11.257 18.222 10.231 1.00 0.00 H new ATOM 0 HD2 PRO A 102 8.907 16.584 10.102 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.977 18.329 9.957 1.00 0.00 H new ATOM 1639 N SER A 103 11.397 15.138 6.226 1.00 0.00 N ATOM 1640 CA SER A 103 11.529 13.777 5.733 1.00 0.00 C ATOM 1641 C SER A 103 12.999 13.353 5.756 1.00 0.00 C ATOM 1642 O SER A 103 13.864 14.069 5.254 1.00 0.00 O ATOM 1643 CB SER A 103 10.961 13.647 4.318 1.00 0.00 C ATOM 1644 OG SER A 103 11.749 14.347 3.360 1.00 0.00 O ATOM 0 H SER A 103 12.183 15.750 6.005 1.00 0.00 H new ATOM 0 HA SER A 103 10.957 13.119 6.387 1.00 0.00 H new ATOM 0 HB2 SER A 103 10.909 12.593 4.044 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.942 14.032 4.300 1.00 0.00 H new ATOM 0 HG SER A 103 12.651 14.485 3.717 1.00 0.00 H new ATOM 1650 N SER A 104 13.236 12.189 6.343 1.00 0.00 N ATOM 1651 CA SER A 104 14.586 11.660 6.438 1.00 0.00 C ATOM 1652 C SER A 104 15.449 12.580 7.304 1.00 0.00 C ATOM 1653 O SER A 104 15.424 13.799 7.137 1.00 0.00 O ATOM 1654 CB SER A 104 15.212 11.496 5.052 1.00 0.00 C ATOM 1655 OG SER A 104 15.185 10.141 4.611 1.00 0.00 O ATOM 0 H SER A 104 12.516 11.597 6.758 1.00 0.00 H new ATOM 0 HA SER A 104 14.535 10.676 6.903 1.00 0.00 H new ATOM 0 HB2 SER A 104 14.677 12.121 4.337 1.00 0.00 H new ATOM 0 HB3 SER A 104 16.243 11.849 5.076 1.00 0.00 H new ATOM 0 HG SER A 104 15.592 10.078 3.722 1.00 0.00 H new ATOM 1661 N GLY A 105 16.192 11.962 8.211 1.00 0.00 N ATOM 1662 CA GLY A 105 17.061 12.710 9.103 1.00 0.00 C ATOM 1663 C GLY A 105 17.759 11.779 10.096 1.00 0.00 C ATOM 1664 O GLY A 105 18.975 11.603 10.038 1.00 0.00 O ATOM 0 H GLY A 105 16.210 10.951 8.347 1.00 0.00 H new ATOM 0 HA2 GLY A 105 17.807 13.251 8.521 1.00 0.00 H new ATOM 0 HA3 GLY A 105 16.478 13.454 9.645 1.00 0.00 H new TER 1668 GLY A 105