USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 635 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 26 SER OG : rot -160:sc= -1.58 USER MOD Single : A 30 SER OG : rot -130:sc= -0.76 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.519 K(o=-0.52,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.47) USER MOD Single : A 43 LYS NZ :NH3+ 150:sc= -0.132 (180deg=-0.797) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 30:sc= 0.591 USER MOD Single : A 51 SER OG : rot -140:sc= 1.03 USER MOD Single : A 52 SER OG : rot -170:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= -0.103 (180deg=-0.103) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -1.81 X(o=-1.8,f=-2) USER MOD Single : A 91 TYR OH : rot 63:sc= -0.761! USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.857 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 168:sc= -3.14! (180deg=-3.69!) USER MOD ----------------------------------------------------------------- ATOM 27 N LEU A 23 -6.137 10.106 -6.451 1.00 0.00 N ATOM 28 CA LEU A 23 -6.393 8.700 -6.131 1.00 0.00 C ATOM 29 C LEU A 23 -6.208 8.427 -4.644 1.00 0.00 C ATOM 30 O LEU A 23 -5.249 8.887 -4.039 1.00 0.00 O ATOM 31 CB LEU A 23 -5.487 7.790 -6.972 1.00 0.00 C ATOM 32 CG LEU A 23 -5.605 7.937 -8.504 1.00 0.00 C ATOM 33 CD1 LEU A 23 -5.666 6.569 -9.167 1.00 0.00 C ATOM 34 CD2 LEU A 23 -6.823 8.765 -8.913 1.00 0.00 C ATOM 0 HA LEU A 23 -7.432 8.480 -6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.452 7.981 -6.688 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.704 6.754 -6.710 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.715 8.467 -8.843 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.749 6.691 -10.247 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.759 6.011 -8.934 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.533 6.023 -8.796 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.863 8.841 -10.000 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.730 8.282 -8.549 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.745 9.763 -8.483 1.00 0.00 H new ATOM 46 N ARG A 24 -7.158 7.706 -4.058 1.00 0.00 N ATOM 47 CA ARG A 24 -7.122 7.397 -2.630 1.00 0.00 C ATOM 48 C ARG A 24 -6.450 6.050 -2.354 1.00 0.00 C ATOM 49 O ARG A 24 -6.862 5.017 -2.881 1.00 0.00 O ATOM 50 CB ARG A 24 -8.548 7.410 -2.062 1.00 0.00 C ATOM 51 CG ARG A 24 -8.743 6.552 -0.818 1.00 0.00 C ATOM 52 CD ARG A 24 -9.969 6.985 -0.030 1.00 0.00 C ATOM 53 NE ARG A 24 -11.210 6.596 -0.696 1.00 0.00 N ATOM 54 CZ ARG A 24 -12.393 7.149 -0.443 1.00 0.00 C ATOM 55 NH1 ARG A 24 -12.503 8.116 0.460 1.00 0.00 N ATOM 56 NH2 ARG A 24 -13.471 6.736 -1.096 1.00 0.00 N ATOM 0 H ARG A 24 -7.965 7.323 -4.550 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.525 8.163 -2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.821 8.438 -1.825 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.236 7.068 -2.835 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.846 5.506 -1.108 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.859 6.621 -0.185 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.936 6.541 0.965 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.952 8.067 0.103 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.167 5.856 -1.397 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.677 8.439 0.964 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.413 8.536 0.649 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.393 5.994 -1.792 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.378 7.160 -0.902 1.00 0.00 H new ATOM 70 N LEU A 25 -5.422 6.076 -1.508 1.00 0.00 N ATOM 71 CA LEU A 25 -4.693 4.872 -1.134 1.00 0.00 C ATOM 72 C LEU A 25 -5.333 4.226 0.097 1.00 0.00 C ATOM 73 O LEU A 25 -5.858 4.920 0.967 1.00 0.00 O ATOM 74 CB LEU A 25 -3.237 5.222 -0.844 1.00 0.00 C ATOM 75 CG LEU A 25 -2.235 4.107 -1.117 1.00 0.00 C ATOM 76 CD1 LEU A 25 -0.808 4.619 -0.991 1.00 0.00 C ATOM 77 CD2 LEU A 25 -2.471 2.940 -0.178 1.00 0.00 C ATOM 0 H LEU A 25 -5.075 6.928 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.733 4.162 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.962 6.090 -1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.152 5.517 0.202 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.380 3.760 -2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.111 3.805 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.644 5.421 -1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.645 4.998 0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.747 2.153 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.357 3.274 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.480 2.553 -0.325 1.00 0.00 H new ATOM 89 N SER A 26 -5.301 2.896 0.163 1.00 0.00 N ATOM 90 CA SER A 26 -5.896 2.174 1.295 1.00 0.00 C ATOM 91 C SER A 26 -5.163 0.851 1.557 1.00 0.00 C ATOM 92 O SER A 26 -5.131 -0.021 0.694 1.00 0.00 O ATOM 93 CB SER A 26 -7.375 1.896 1.012 1.00 0.00 C ATOM 94 OG SER A 26 -7.852 2.705 -0.049 1.00 0.00 O ATOM 0 H SER A 26 -4.875 2.298 -0.545 1.00 0.00 H new ATOM 0 HA SER A 26 -5.802 2.799 2.183 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.509 0.844 0.760 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.962 2.086 1.910 1.00 0.00 H new ATOM 0 HG SER A 26 -8.830 2.754 -0.009 1.00 0.00 H new ATOM 100 N VAL A 27 -4.582 0.698 2.749 1.00 0.00 N ATOM 101 CA VAL A 27 -3.861 -0.533 3.094 1.00 0.00 C ATOM 102 C VAL A 27 -4.697 -1.444 3.975 1.00 0.00 C ATOM 103 O VAL A 27 -5.384 -0.986 4.879 1.00 0.00 O ATOM 104 CB VAL A 27 -2.536 -0.233 3.821 1.00 0.00 C ATOM 105 CG1 VAL A 27 -1.919 -1.499 4.408 1.00 0.00 C ATOM 106 CG2 VAL A 27 -1.574 0.437 2.874 1.00 0.00 C ATOM 0 H VAL A 27 -4.595 1.403 3.486 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.651 -1.034 2.149 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.748 0.440 4.652 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.986 -1.249 4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.611 -1.943 5.124 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.718 -2.211 3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.639 0.647 3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.379 -0.221 2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.007 1.371 2.515 1.00 0.00 H new ATOM 116 N PHE A 28 -4.626 -2.743 3.716 1.00 0.00 N ATOM 117 CA PHE A 28 -5.373 -3.697 4.495 1.00 0.00 C ATOM 118 C PHE A 28 -4.508 -4.797 5.089 1.00 0.00 C ATOM 119 O PHE A 28 -3.992 -5.662 4.380 1.00 0.00 O ATOM 120 CB PHE A 28 -6.486 -4.313 3.664 1.00 0.00 C ATOM 121 CG PHE A 28 -7.742 -4.405 4.457 1.00 0.00 C ATOM 122 CD1 PHE A 28 -8.256 -3.267 5.044 1.00 0.00 C ATOM 123 CD2 PHE A 28 -8.377 -5.614 4.658 1.00 0.00 C ATOM 124 CE1 PHE A 28 -9.387 -3.323 5.814 1.00 0.00 C ATOM 125 CE2 PHE A 28 -9.512 -5.684 5.438 1.00 0.00 C ATOM 126 CZ PHE A 28 -10.021 -4.536 6.018 1.00 0.00 C ATOM 0 H PHE A 28 -4.058 -3.150 2.973 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.798 -3.139 5.329 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.656 -3.711 2.771 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.189 -5.306 3.327 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.760 -2.320 4.894 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -7.983 -6.510 4.202 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -9.783 -2.423 6.261 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.003 -6.633 5.596 1.00 0.00 H new ATOM 0 HZ PHE A 28 -10.911 -4.586 6.628 1.00 0.00 H new ATOM 136 N ARG A 29 -4.402 -4.773 6.411 1.00 0.00 N ATOM 137 CA ARG A 29 -3.659 -5.780 7.151 1.00 0.00 C ATOM 138 C ARG A 29 -4.599 -6.453 8.145 1.00 0.00 C ATOM 139 O ARG A 29 -5.152 -5.794 9.026 1.00 0.00 O ATOM 140 CB ARG A 29 -2.473 -5.162 7.899 1.00 0.00 C ATOM 141 CG ARG A 29 -1.755 -4.065 7.129 1.00 0.00 C ATOM 142 CD ARG A 29 -1.550 -2.827 7.987 1.00 0.00 C ATOM 143 NE ARG A 29 -2.792 -2.388 8.620 1.00 0.00 N ATOM 144 CZ ARG A 29 -3.069 -2.540 9.916 1.00 0.00 C ATOM 145 NH1 ARG A 29 -2.203 -3.134 10.729 1.00 0.00 N ATOM 146 NH2 ARG A 29 -4.222 -2.100 10.400 1.00 0.00 N ATOM 0 H ARG A 29 -4.828 -4.056 6.998 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.264 -6.511 6.446 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.827 -4.754 8.846 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.759 -5.950 8.139 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.789 -4.434 6.783 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.332 -3.803 6.242 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.806 -3.038 8.755 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.152 -2.021 7.371 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.493 -1.936 8.033 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.315 -3.479 10.364 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.426 -3.245 11.718 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.895 -1.647 9.782 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.436 -2.215 11.391 1.00 0.00 H new ATOM 160 N SER A 30 -4.791 -7.757 7.998 1.00 0.00 N ATOM 161 CA SER A 30 -5.684 -8.490 8.890 1.00 0.00 C ATOM 162 C SER A 30 -4.920 -9.009 10.105 1.00 0.00 C ATOM 163 O SER A 30 -4.976 -8.422 11.185 1.00 0.00 O ATOM 164 CB SER A 30 -6.340 -9.655 8.145 1.00 0.00 C ATOM 165 OG SER A 30 -5.414 -10.300 7.289 1.00 0.00 O ATOM 0 H SER A 30 -4.346 -8.326 7.278 1.00 0.00 H new ATOM 0 HA SER A 30 -6.462 -7.808 9.233 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.737 -10.373 8.863 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.184 -9.288 7.562 1.00 0.00 H new ATOM 0 HG SER A 30 -5.805 -10.393 6.395 1.00 0.00 H new ATOM 171 N LEU A 31 -4.195 -10.104 9.913 1.00 0.00 N ATOM 172 CA LEU A 31 -3.402 -10.702 10.980 1.00 0.00 C ATOM 173 C LEU A 31 -1.995 -10.989 10.474 1.00 0.00 C ATOM 174 O LEU A 31 -1.015 -10.436 10.973 1.00 0.00 O ATOM 175 CB LEU A 31 -4.058 -11.992 11.478 1.00 0.00 C ATOM 176 CG LEU A 31 -3.907 -12.259 12.977 1.00 0.00 C ATOM 177 CD1 LEU A 31 -2.456 -12.557 13.323 1.00 0.00 C ATOM 178 CD2 LEU A 31 -4.416 -11.073 13.783 1.00 0.00 C ATOM 0 H LEU A 31 -4.140 -10.599 9.023 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.347 -10.002 11.813 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.120 -11.958 11.236 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.633 -12.833 10.930 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.507 -13.132 13.233 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.368 -12.744 14.393 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.124 -13.437 12.772 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.835 -11.703 13.052 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.301 -11.280 14.847 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.843 -10.183 13.522 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.469 -10.905 13.558 1.00 0.00 H new ATOM 190 N LYS A 32 -1.912 -11.844 9.462 1.00 0.00 N ATOM 191 CA LYS A 32 -0.636 -12.197 8.855 1.00 0.00 C ATOM 192 C LYS A 32 -0.627 -11.805 7.378 1.00 0.00 C ATOM 193 O LYS A 32 0.164 -12.325 6.592 1.00 0.00 O ATOM 194 CB LYS A 32 -0.373 -13.699 9.005 1.00 0.00 C ATOM 195 CG LYS A 32 0.933 -14.020 9.712 1.00 0.00 C ATOM 196 CD LYS A 32 1.214 -15.514 9.714 1.00 0.00 C ATOM 197 CE LYS A 32 2.694 -15.802 9.517 1.00 0.00 C ATOM 198 NZ LYS A 32 3.035 -17.212 9.853 1.00 0.00 N ATOM 0 H LYS A 32 -2.718 -12.308 9.043 1.00 0.00 H new ATOM 0 HA LYS A 32 0.156 -11.651 9.367 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.197 -14.150 9.559 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.364 -14.158 8.017 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.752 -13.495 9.220 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.891 -13.655 10.738 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.880 -15.947 10.657 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.640 -15.995 8.922 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.969 -15.599 8.482 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.281 -15.128 10.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.053 -17.368 9.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.797 -17.399 10.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.494 -17.855 9.241 1.00 0.00 H new ATOM 212 N HIS A 33 -1.522 -10.888 7.009 1.00 0.00 N ATOM 213 CA HIS A 33 -1.630 -10.430 5.629 1.00 0.00 C ATOM 214 C HIS A 33 -1.329 -8.939 5.514 1.00 0.00 C ATOM 215 O HIS A 33 -1.375 -8.205 6.501 1.00 0.00 O ATOM 216 CB HIS A 33 -3.034 -10.711 5.090 1.00 0.00 C ATOM 217 CG HIS A 33 -3.329 -12.167 4.919 1.00 0.00 C ATOM 218 ND1 HIS A 33 -4.544 -12.643 4.471 1.00 0.00 N ATOM 219 CD2 HIS A 33 -2.559 -13.257 5.139 1.00 0.00 C ATOM 220 CE1 HIS A 33 -4.508 -13.963 4.426 1.00 0.00 C ATOM 221 NE2 HIS A 33 -3.314 -14.360 4.826 1.00 0.00 N ATOM 0 H HIS A 33 -2.183 -10.449 7.650 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.894 -10.976 5.038 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.768 -10.277 5.769 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.153 -10.209 4.130 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.539 -13.259 5.495 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.317 -14.607 4.115 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.003 -15.329 4.892 1.00 0.00 H new ATOM 230 N ILE A 34 -1.028 -8.502 4.296 1.00 0.00 N ATOM 231 CA ILE A 34 -0.725 -7.105 4.028 1.00 0.00 C ATOM 232 C ILE A 34 -1.110 -6.755 2.594 1.00 0.00 C ATOM 233 O ILE A 34 -0.725 -7.453 1.656 1.00 0.00 O ATOM 234 CB ILE A 34 0.773 -6.808 4.247 1.00 0.00 C ATOM 235 CG1 ILE A 34 1.126 -5.413 3.730 1.00 0.00 C ATOM 236 CG2 ILE A 34 1.625 -7.864 3.557 1.00 0.00 C ATOM 237 CD1 ILE A 34 0.274 -4.312 4.323 1.00 0.00 C ATOM 0 H ILE A 34 -0.988 -9.103 3.473 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.303 -6.495 4.723 1.00 0.00 H new ATOM 0 HB ILE A 34 0.980 -6.838 5.317 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.174 -5.208 3.950 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.019 -5.399 2.645 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.680 -7.643 3.719 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.392 -8.846 3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.414 -7.860 2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.582 -3.351 3.910 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.773 -4.492 4.081 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.399 -4.298 5.406 1.00 0.00 H new ATOM 249 N TYR A 35 -1.888 -5.690 2.424 1.00 0.00 N ATOM 250 CA TYR A 35 -2.333 -5.286 1.099 1.00 0.00 C ATOM 251 C TYR A 35 -2.436 -3.769 0.974 1.00 0.00 C ATOM 252 O TYR A 35 -2.730 -3.072 1.938 1.00 0.00 O ATOM 253 CB TYR A 35 -3.706 -5.902 0.801 1.00 0.00 C ATOM 254 CG TYR A 35 -3.674 -7.394 0.546 1.00 0.00 C ATOM 255 CD1 TYR A 35 -3.416 -8.290 1.575 1.00 0.00 C ATOM 256 CD2 TYR A 35 -3.904 -7.905 -0.726 1.00 0.00 C ATOM 257 CE1 TYR A 35 -3.387 -9.652 1.345 1.00 0.00 C ATOM 258 CE2 TYR A 35 -3.878 -9.266 -0.963 1.00 0.00 C ATOM 259 CZ TYR A 35 -3.619 -10.135 0.075 1.00 0.00 C ATOM 260 OH TYR A 35 -3.591 -11.491 -0.157 1.00 0.00 O ATOM 0 H TYR A 35 -2.220 -5.096 3.184 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.592 -5.642 0.383 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.371 -5.702 1.641 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.134 -5.405 -0.070 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.235 -7.916 2.572 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.106 -7.227 -1.542 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.184 -10.335 2.156 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.060 -9.647 -1.957 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.775 -11.665 -1.104 1.00 0.00 H new ATOM 270 N ALA A 36 -2.237 -3.278 -0.239 1.00 0.00 N ATOM 271 CA ALA A 36 -2.360 -1.853 -0.529 1.00 0.00 C ATOM 272 C ALA A 36 -3.200 -1.677 -1.779 1.00 0.00 C ATOM 273 O ALA A 36 -2.855 -2.188 -2.842 1.00 0.00 O ATOM 274 CB ALA A 36 -1.006 -1.177 -0.713 1.00 0.00 C ATOM 0 H ALA A 36 -1.987 -3.849 -1.047 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.839 -1.376 0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.154 -0.118 -0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.419 -1.285 0.199 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.476 -1.644 -1.543 1.00 0.00 H new ATOM 280 N GLN A 37 -4.300 -0.959 -1.649 1.00 0.00 N ATOM 281 CA GLN A 37 -5.185 -0.727 -2.774 1.00 0.00 C ATOM 282 C GLN A 37 -5.192 0.742 -3.140 1.00 0.00 C ATOM 283 O GLN A 37 -5.672 1.585 -2.383 1.00 0.00 O ATOM 284 CB GLN A 37 -6.607 -1.198 -2.453 1.00 0.00 C ATOM 285 CG GLN A 37 -7.029 -2.431 -3.234 1.00 0.00 C ATOM 286 CD GLN A 37 -6.837 -3.713 -2.448 1.00 0.00 C ATOM 287 OE1 GLN A 37 -7.792 -4.275 -1.911 1.00 0.00 O ATOM 288 NE2 GLN A 37 -5.597 -4.184 -2.377 1.00 0.00 N ATOM 0 H GLN A 37 -4.602 -0.527 -0.776 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.816 -1.302 -3.624 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.678 -1.411 -1.386 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.305 -0.388 -2.663 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.077 -2.336 -3.517 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.453 -2.486 -4.158 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.835 -3.686 -2.837 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.407 -5.044 -1.862 1.00 0.00 H new ATOM 297 N ILE A 38 -4.665 1.038 -4.312 1.00 0.00 N ATOM 298 CA ILE A 38 -4.618 2.401 -4.793 1.00 0.00 C ATOM 299 C ILE A 38 -5.810 2.638 -5.704 1.00 0.00 C ATOM 300 O ILE A 38 -5.799 2.269 -6.883 1.00 0.00 O ATOM 301 CB ILE A 38 -3.299 2.712 -5.532 1.00 0.00 C ATOM 302 CG1 ILE A 38 -2.160 1.781 -5.043 1.00 0.00 C ATOM 303 CG2 ILE A 38 -2.945 4.180 -5.341 1.00 0.00 C ATOM 304 CD1 ILE A 38 -1.236 2.371 -3.997 1.00 0.00 C ATOM 0 H ILE A 38 -4.263 0.350 -4.949 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.661 3.073 -3.936 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.430 2.524 -6.598 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.606 0.873 -4.637 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.562 1.485 -5.905 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.014 4.401 -5.863 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.743 4.802 -5.745 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.824 4.390 -4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.477 1.637 -3.726 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.752 3.261 -4.399 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.813 2.640 -3.112 1.00 0.00 H new ATOM 316 N ILE A 39 -6.859 3.205 -5.117 1.00 0.00 N ATOM 317 CA ILE A 39 -8.111 3.451 -5.825 1.00 0.00 C ATOM 318 C ILE A 39 -8.236 4.881 -6.328 1.00 0.00 C ATOM 319 O ILE A 39 -7.535 5.783 -5.874 1.00 0.00 O ATOM 320 CB ILE A 39 -9.320 3.173 -4.908 1.00 0.00 C ATOM 321 CG1 ILE A 39 -9.067 1.942 -4.038 1.00 0.00 C ATOM 322 CG2 ILE A 39 -10.590 3.005 -5.725 1.00 0.00 C ATOM 323 CD1 ILE A 39 -8.641 2.290 -2.630 1.00 0.00 C ATOM 0 H ILE A 39 -6.866 3.506 -4.142 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.102 2.776 -6.680 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.452 4.032 -4.251 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.974 1.339 -3.998 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.296 1.327 -4.503 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.429 2.810 -5.057 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.781 3.916 -6.291 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.472 2.168 -6.413 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.477 1.374 -2.063 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.717 2.868 -2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.421 2.880 -2.149 1.00 0.00 H new ATOM 335 N ASP A 40 -9.175 5.073 -7.248 1.00 0.00 N ATOM 336 CA ASP A 40 -9.462 6.379 -7.805 1.00 0.00 C ATOM 337 C ASP A 40 -10.647 6.975 -7.058 1.00 0.00 C ATOM 338 O ASP A 40 -11.780 6.490 -7.191 1.00 0.00 O ATOM 339 CB ASP A 40 -9.783 6.275 -9.299 1.00 0.00 C ATOM 340 CG ASP A 40 -9.385 7.520 -10.066 1.00 0.00 C ATOM 341 OD1 ASP A 40 -9.517 8.629 -9.507 1.00 0.00 O ATOM 342 OD2 ASP A 40 -8.941 7.386 -11.226 1.00 0.00 O ATOM 0 H ASP A 40 -9.756 4.324 -7.625 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.587 7.019 -7.694 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.266 5.412 -9.719 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.851 6.100 -9.426 1.00 0.00 H new ATOM 347 N ASP A 41 -10.361 8.002 -6.255 1.00 0.00 N ATOM 348 CA ASP A 41 -11.375 8.677 -5.438 1.00 0.00 C ATOM 349 C ASP A 41 -12.047 9.829 -6.184 1.00 0.00 C ATOM 350 O ASP A 41 -12.586 10.750 -5.570 1.00 0.00 O ATOM 351 CB ASP A 41 -10.757 9.196 -4.138 1.00 0.00 C ATOM 352 CG ASP A 41 -9.554 10.083 -4.382 1.00 0.00 C ATOM 353 OD1 ASP A 41 -8.799 9.806 -5.335 1.00 0.00 O ATOM 354 OD2 ASP A 41 -9.367 11.053 -3.618 1.00 0.00 O ATOM 0 H ASP A 41 -9.423 8.389 -6.152 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.142 7.937 -5.209 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.509 9.754 -3.580 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.461 8.350 -3.517 1.00 0.00 H new ATOM 359 N GLU A 42 -12.063 9.734 -7.501 1.00 0.00 N ATOM 360 CA GLU A 42 -12.726 10.721 -8.349 1.00 0.00 C ATOM 361 C GLU A 42 -13.921 10.004 -8.931 1.00 0.00 C ATOM 362 O GLU A 42 -15.064 10.456 -8.859 1.00 0.00 O ATOM 363 CB GLU A 42 -11.791 11.219 -9.454 1.00 0.00 C ATOM 364 CG GLU A 42 -12.486 12.074 -10.500 1.00 0.00 C ATOM 365 CD GLU A 42 -11.520 12.944 -11.279 1.00 0.00 C ATOM 366 OE1 GLU A 42 -10.632 12.385 -11.956 1.00 0.00 O ATOM 367 OE2 GLU A 42 -11.652 14.184 -11.213 1.00 0.00 O ATOM 0 H GLU A 42 -11.619 8.974 -8.017 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.019 11.606 -7.784 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.984 11.796 -9.003 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.333 10.360 -9.945 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.026 11.427 -11.192 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.227 12.707 -10.012 1.00 0.00 H new ATOM 374 N LYS A 43 -13.612 8.814 -9.408 1.00 0.00 N ATOM 375 CA LYS A 43 -14.577 7.880 -9.915 1.00 0.00 C ATOM 376 C LYS A 43 -14.205 6.559 -9.274 1.00 0.00 C ATOM 377 O LYS A 43 -13.089 6.080 -9.466 1.00 0.00 O ATOM 378 CB LYS A 43 -14.505 7.783 -11.440 1.00 0.00 C ATOM 379 CG LYS A 43 -15.418 8.765 -12.158 1.00 0.00 C ATOM 380 CD LYS A 43 -14.639 9.941 -12.728 1.00 0.00 C ATOM 381 CE LYS A 43 -14.560 9.877 -14.245 1.00 0.00 C ATOM 382 NZ LYS A 43 -15.910 9.862 -14.871 1.00 0.00 N ATOM 0 H LYS A 43 -12.653 8.468 -9.451 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.598 8.181 -9.682 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.477 7.957 -11.758 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.766 6.769 -11.744 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.944 8.252 -12.963 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.176 9.131 -11.465 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.115 10.874 -12.427 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.632 9.948 -12.311 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.998 10.734 -14.616 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.012 8.983 -14.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.864 10.313 -15.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.233 8.879 -14.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.578 10.383 -14.268 1.00 0.00 H new ATOM 396 N GLY A 44 -15.102 5.993 -8.481 1.00 0.00 N ATOM 397 CA GLY A 44 -14.790 4.751 -7.795 1.00 0.00 C ATOM 398 C GLY A 44 -14.110 3.747 -8.700 1.00 0.00 C ATOM 399 O GLY A 44 -14.776 2.960 -9.373 1.00 0.00 O ATOM 0 H GLY A 44 -16.034 6.366 -8.299 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.145 4.962 -6.942 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.708 4.317 -7.400 1.00 0.00 H new ATOM 403 N VAL A 45 -12.778 3.796 -8.748 1.00 0.00 N ATOM 404 CA VAL A 45 -12.036 2.894 -9.626 1.00 0.00 C ATOM 405 C VAL A 45 -10.764 2.341 -8.985 1.00 0.00 C ATOM 406 O VAL A 45 -9.799 3.070 -8.790 1.00 0.00 O ATOM 407 CB VAL A 45 -11.641 3.628 -10.923 1.00 0.00 C ATOM 408 CG1 VAL A 45 -10.855 2.710 -11.851 1.00 0.00 C ATOM 409 CG2 VAL A 45 -12.874 4.179 -11.626 1.00 0.00 C ATOM 0 H VAL A 45 -12.202 4.436 -8.202 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.702 2.056 -9.831 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.998 4.466 -10.655 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.588 3.252 -12.759 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.948 2.375 -11.349 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.466 1.846 -12.111 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.573 4.693 -12.539 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.547 3.359 -11.876 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.386 4.880 -10.967 1.00 0.00 H new ATOM 419 N THR A 46 -10.742 1.038 -8.716 1.00 0.00 N ATOM 420 CA THR A 46 -9.549 0.409 -8.156 1.00 0.00 C ATOM 421 C THR A 46 -8.530 0.215 -9.273 1.00 0.00 C ATOM 422 O THR A 46 -8.809 -0.456 -10.266 1.00 0.00 O ATOM 423 CB THR A 46 -9.886 -0.935 -7.501 1.00 0.00 C ATOM 424 OG1 THR A 46 -11.138 -0.871 -6.843 1.00 0.00 O ATOM 425 CG2 THR A 46 -8.853 -1.382 -6.483 1.00 0.00 C ATOM 0 H THR A 46 -11.525 0.404 -8.874 1.00 0.00 H new ATOM 0 HA THR A 46 -9.135 1.054 -7.381 1.00 0.00 H new ATOM 0 HB THR A 46 -9.905 -1.658 -8.317 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.337 -1.738 -6.433 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.152 -2.340 -6.057 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.884 -1.488 -6.971 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.780 -0.639 -5.689 1.00 0.00 H new ATOM 433 N LEU A 47 -7.363 0.831 -9.128 1.00 0.00 N ATOM 434 CA LEU A 47 -6.333 0.744 -10.155 1.00 0.00 C ATOM 435 C LEU A 47 -5.265 -0.285 -9.816 1.00 0.00 C ATOM 436 O LEU A 47 -5.044 -1.229 -10.574 1.00 0.00 O ATOM 437 CB LEU A 47 -5.686 2.109 -10.373 1.00 0.00 C ATOM 438 CG LEU A 47 -6.661 3.279 -10.410 1.00 0.00 C ATOM 439 CD1 LEU A 47 -6.937 3.806 -9.010 1.00 0.00 C ATOM 440 CD2 LEU A 47 -6.128 4.383 -11.306 1.00 0.00 C ATOM 0 H LEU A 47 -7.108 1.392 -8.315 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.823 0.419 -11.073 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.961 2.283 -9.578 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.131 2.087 -11.311 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.605 2.923 -10.823 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.636 4.641 -9.067 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.369 3.012 -8.401 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.004 4.144 -8.558 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.836 5.212 -11.322 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.169 4.732 -10.922 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.996 3.999 -12.317 1.00 0.00 H new ATOM 452 N VAL A 48 -4.585 -0.094 -8.692 1.00 0.00 N ATOM 453 CA VAL A 48 -3.526 -1.012 -8.300 1.00 0.00 C ATOM 454 C VAL A 48 -3.787 -1.635 -6.933 1.00 0.00 C ATOM 455 O VAL A 48 -4.344 -1.002 -6.037 1.00 0.00 O ATOM 456 CB VAL A 48 -2.156 -0.298 -8.308 1.00 0.00 C ATOM 457 CG1 VAL A 48 -1.231 -0.845 -7.230 1.00 0.00 C ATOM 458 CG2 VAL A 48 -1.514 -0.419 -9.681 1.00 0.00 C ATOM 0 H VAL A 48 -4.745 0.678 -8.044 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.512 -1.819 -9.033 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.323 0.756 -8.086 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.277 -0.318 -7.267 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.688 -0.700 -6.251 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.064 -1.909 -7.399 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.549 0.087 -9.677 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.371 -1.472 -9.924 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.162 0.041 -10.427 1.00 0.00 H new ATOM 468 N SER A 49 -3.360 -2.885 -6.789 1.00 0.00 N ATOM 469 CA SER A 49 -3.518 -3.619 -5.543 1.00 0.00 C ATOM 470 C SER A 49 -2.385 -4.627 -5.386 1.00 0.00 C ATOM 471 O SER A 49 -2.260 -5.564 -6.174 1.00 0.00 O ATOM 472 CB SER A 49 -4.872 -4.326 -5.507 1.00 0.00 C ATOM 473 OG SER A 49 -4.984 -5.275 -6.553 1.00 0.00 O ATOM 0 H SER A 49 -2.898 -3.413 -7.529 1.00 0.00 H new ATOM 0 HA SER A 49 -3.479 -2.914 -4.712 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.999 -4.824 -4.546 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.672 -3.590 -5.593 1.00 0.00 H new ATOM 0 HG SER A 49 -4.097 -5.635 -6.765 1.00 0.00 H new ATOM 479 N ALA A 50 -1.552 -4.417 -4.374 1.00 0.00 N ATOM 480 CA ALA A 50 -0.414 -5.299 -4.126 1.00 0.00 C ATOM 481 C ALA A 50 -0.433 -5.865 -2.711 1.00 0.00 C ATOM 482 O ALA A 50 -1.057 -5.304 -1.811 1.00 0.00 O ATOM 483 CB ALA A 50 0.890 -4.554 -4.376 1.00 0.00 C ATOM 0 H ALA A 50 -1.641 -3.646 -3.712 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.490 -6.138 -4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.732 -5.221 -4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.921 -4.213 -5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.952 -3.695 -3.708 1.00 0.00 H new ATOM 489 N SER A 51 0.262 -6.984 -2.527 1.00 0.00 N ATOM 490 CA SER A 51 0.339 -7.640 -1.227 1.00 0.00 C ATOM 491 C SER A 51 1.665 -8.380 -1.075 1.00 0.00 C ATOM 492 O SER A 51 2.095 -9.089 -1.985 1.00 0.00 O ATOM 493 CB SER A 51 -0.828 -8.616 -1.056 1.00 0.00 C ATOM 494 OG SER A 51 -1.569 -8.740 -2.258 1.00 0.00 O ATOM 0 H SER A 51 0.782 -7.457 -3.266 1.00 0.00 H new ATOM 0 HA SER A 51 0.278 -6.875 -0.453 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.448 -9.593 -0.757 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.482 -8.269 -0.256 1.00 0.00 H new ATOM 0 HG SER A 51 -2.525 -8.786 -2.049 1.00 0.00 H new ATOM 500 N SER A 52 2.312 -8.214 0.076 1.00 0.00 N ATOM 501 CA SER A 52 3.591 -8.872 0.333 1.00 0.00 C ATOM 502 C SER A 52 3.483 -10.380 0.126 1.00 0.00 C ATOM 503 O SER A 52 4.344 -10.993 -0.504 1.00 0.00 O ATOM 504 CB SER A 52 4.070 -8.576 1.756 1.00 0.00 C ATOM 505 OG SER A 52 5.428 -8.944 1.924 1.00 0.00 O ATOM 0 H SER A 52 1.974 -7.632 0.843 1.00 0.00 H new ATOM 0 HA SER A 52 4.318 -8.477 -0.377 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.949 -7.514 1.970 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.452 -9.118 2.471 1.00 0.00 H new ATOM 0 HG SER A 52 5.665 -8.895 2.874 1.00 0.00 H new ATOM 679 N GLU A 63 9.036 -6.267 7.211 1.00 0.00 N ATOM 680 CA GLU A 63 10.351 -6.401 6.597 1.00 0.00 C ATOM 681 C GLU A 63 10.284 -6.104 5.103 1.00 0.00 C ATOM 682 O GLU A 63 11.081 -5.327 4.578 1.00 0.00 O ATOM 683 CB GLU A 63 10.905 -7.808 6.828 1.00 0.00 C ATOM 684 CG GLU A 63 12.389 -7.830 7.152 1.00 0.00 C ATOM 685 CD GLU A 63 13.252 -7.488 5.953 1.00 0.00 C ATOM 686 OE1 GLU A 63 13.439 -8.368 5.086 1.00 0.00 O ATOM 687 OE2 GLU A 63 13.741 -6.341 5.881 1.00 0.00 O ATOM 0 HA GLU A 63 11.019 -5.677 7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.356 -8.276 7.645 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.727 -8.411 5.937 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.592 -7.122 7.955 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.662 -8.818 7.522 1.00 0.00 H new ATOM 694 N VAL A 64 9.325 -6.726 4.424 1.00 0.00 N ATOM 695 CA VAL A 64 9.155 -6.525 2.991 1.00 0.00 C ATOM 696 C VAL A 64 8.135 -5.430 2.703 1.00 0.00 C ATOM 697 O VAL A 64 8.113 -4.882 1.605 1.00 0.00 O ATOM 698 CB VAL A 64 8.705 -7.819 2.281 1.00 0.00 C ATOM 699 CG1 VAL A 64 8.432 -7.558 0.801 1.00 0.00 C ATOM 700 CG2 VAL A 64 9.749 -8.913 2.454 1.00 0.00 C ATOM 0 H VAL A 64 8.656 -7.372 4.843 1.00 0.00 H new ATOM 0 HA VAL A 64 10.130 -6.227 2.605 1.00 0.00 H new ATOM 0 HB VAL A 64 7.776 -8.157 2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.116 -8.484 0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.644 -6.811 0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.341 -7.192 0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.415 -9.818 1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.695 -8.584 2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.886 -9.121 3.515 1.00 0.00 H new ATOM 710 N ALA A 65 7.285 -5.124 3.684 1.00 0.00 N ATOM 711 CA ALA A 65 6.252 -4.101 3.519 1.00 0.00 C ATOM 712 C ALA A 65 6.724 -2.959 2.627 1.00 0.00 C ATOM 713 O ALA A 65 5.970 -2.450 1.805 1.00 0.00 O ATOM 714 CB ALA A 65 5.813 -3.564 4.865 1.00 0.00 C ATOM 0 H ALA A 65 7.292 -5.570 4.601 1.00 0.00 H new ATOM 0 HA ALA A 65 5.401 -4.576 3.031 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.045 -2.805 4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.410 -4.378 5.468 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.668 -3.122 5.377 1.00 0.00 H new ATOM 720 N ARG A 66 7.980 -2.574 2.772 1.00 0.00 N ATOM 721 CA ARG A 66 8.533 -1.514 1.947 1.00 0.00 C ATOM 722 C ARG A 66 8.634 -1.996 0.527 1.00 0.00 C ATOM 723 O ARG A 66 8.007 -1.458 -0.382 1.00 0.00 O ATOM 724 CB ARG A 66 9.906 -1.103 2.441 1.00 0.00 C ATOM 725 CG ARG A 66 10.016 0.384 2.637 1.00 0.00 C ATOM 726 CD ARG A 66 11.124 0.975 1.801 1.00 0.00 C ATOM 727 NE ARG A 66 12.430 0.405 2.128 1.00 0.00 N ATOM 728 CZ ARG A 66 13.035 -0.543 1.411 1.00 0.00 C ATOM 729 NH1 ARG A 66 12.455 -1.048 0.328 1.00 0.00 N ATOM 730 NH2 ARG A 66 14.227 -0.990 1.782 1.00 0.00 N ATOM 0 H ARG A 66 8.631 -2.975 3.447 1.00 0.00 H new ATOM 0 HA ARG A 66 7.874 -0.647 2.004 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.118 -1.609 3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.661 -1.431 1.726 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.070 0.857 2.374 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.199 0.600 3.690 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.910 0.805 0.746 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.153 2.054 1.951 1.00 0.00 H new ATOM 0 HE ARG A 66 12.909 0.755 2.958 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.537 -0.711 0.037 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.927 -1.773 -0.213 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.678 -0.609 2.613 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.692 -1.715 1.236 1.00 0.00 H new ATOM 744 N GLN A 67 9.410 -3.046 0.358 1.00 0.00 N ATOM 745 CA GLN A 67 9.580 -3.663 -0.945 1.00 0.00 C ATOM 746 C GLN A 67 8.208 -3.911 -1.569 1.00 0.00 C ATOM 747 O GLN A 67 8.069 -3.971 -2.793 1.00 0.00 O ATOM 748 CB GLN A 67 10.353 -4.977 -0.819 1.00 0.00 C ATOM 749 CG GLN A 67 11.859 -4.809 -0.941 1.00 0.00 C ATOM 750 CD GLN A 67 12.626 -5.936 -0.276 1.00 0.00 C ATOM 751 OE1 GLN A 67 13.120 -5.790 0.843 1.00 0.00 O ATOM 752 NE2 GLN A 67 12.730 -7.067 -0.963 1.00 0.00 N ATOM 0 H GLN A 67 9.936 -3.493 1.109 1.00 0.00 H new ATOM 0 HA GLN A 67 10.153 -2.993 -1.587 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.123 -5.434 0.144 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.009 -5.667 -1.589 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.132 -4.761 -1.995 1.00 0.00 H new ATOM 0 HG3 GLN A 67 12.153 -3.860 -0.492 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.305 -7.143 -1.887 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.235 -7.860 -0.567 1.00 0.00 H new ATOM 761 N VAL A 68 7.180 -4.020 -0.718 1.00 0.00 N ATOM 762 CA VAL A 68 5.831 -4.221 -1.216 1.00 0.00 C ATOM 763 C VAL A 68 5.246 -2.887 -1.650 1.00 0.00 C ATOM 764 O VAL A 68 4.468 -2.814 -2.601 1.00 0.00 O ATOM 765 CB VAL A 68 4.889 -4.916 -0.193 1.00 0.00 C ATOM 766 CG1 VAL A 68 4.113 -3.926 0.676 1.00 0.00 C ATOM 767 CG2 VAL A 68 3.917 -5.808 -0.939 1.00 0.00 C ATOM 0 H VAL A 68 7.262 -3.972 0.298 1.00 0.00 H new ATOM 0 HA VAL A 68 5.904 -4.898 -2.067 1.00 0.00 H new ATOM 0 HB VAL A 68 5.517 -5.501 0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.474 -4.473 1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.814 -3.309 1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.498 -3.289 0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.253 -6.299 -0.227 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.327 -5.206 -1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.471 -6.562 -1.498 1.00 0.00 H new ATOM 777 N GLY A 69 5.645 -1.825 -0.950 1.00 0.00 N ATOM 778 CA GLY A 69 5.167 -0.509 -1.290 1.00 0.00 C ATOM 779 C GLY A 69 5.872 0.030 -2.505 1.00 0.00 C ATOM 780 O GLY A 69 5.293 0.783 -3.268 1.00 0.00 O ATOM 0 H GLY A 69 6.288 -1.860 -0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.094 -0.546 -1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.321 0.166 -0.448 1.00 0.00 H new ATOM 784 N ARG A 70 7.136 -0.352 -2.682 1.00 0.00 N ATOM 785 CA ARG A 70 7.904 0.108 -3.829 1.00 0.00 C ATOM 786 C ARG A 70 7.379 -0.571 -5.081 1.00 0.00 C ATOM 787 O ARG A 70 7.186 0.070 -6.112 1.00 0.00 O ATOM 788 CB ARG A 70 9.402 -0.162 -3.645 1.00 0.00 C ATOM 789 CG ARG A 70 9.772 -1.634 -3.670 1.00 0.00 C ATOM 790 CD ARG A 70 9.926 -2.151 -5.092 1.00 0.00 C ATOM 791 NE ARG A 70 11.292 -2.584 -5.372 1.00 0.00 N ATOM 792 CZ ARG A 70 11.628 -3.358 -6.402 1.00 0.00 C ATOM 793 NH1 ARG A 70 10.701 -3.784 -7.251 1.00 0.00 N ATOM 794 NH2 ARG A 70 12.895 -3.706 -6.584 1.00 0.00 N ATOM 0 H ARG A 70 7.642 -0.973 -2.051 1.00 0.00 H new ATOM 0 HA ARG A 70 7.785 1.187 -3.925 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.953 0.354 -4.431 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.724 0.267 -2.696 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.704 -1.784 -3.125 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.005 -2.211 -3.154 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.242 -2.985 -5.251 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.643 -1.368 -5.795 1.00 0.00 H new ATOM 0 HE ARG A 70 12.032 -2.276 -4.742 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.725 -3.519 -7.116 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.964 -4.377 -8.038 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.612 -3.381 -5.935 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.153 -4.299 -7.373 1.00 0.00 H new ATOM 808 N ALA A 71 7.105 -1.870 -4.971 1.00 0.00 N ATOM 809 CA ALA A 71 6.553 -2.615 -6.089 1.00 0.00 C ATOM 810 C ALA A 71 5.160 -2.086 -6.396 1.00 0.00 C ATOM 811 O ALA A 71 4.773 -1.949 -7.553 1.00 0.00 O ATOM 812 CB ALA A 71 6.501 -4.099 -5.773 1.00 0.00 C ATOM 0 H ALA A 71 7.256 -2.420 -4.125 1.00 0.00 H new ATOM 0 HA ALA A 71 7.193 -2.484 -6.961 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.084 -4.638 -6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.508 -4.463 -5.571 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.873 -4.263 -4.897 1.00 0.00 H new ATOM 818 N LEU A 72 4.431 -1.753 -5.334 1.00 0.00 N ATOM 819 CA LEU A 72 3.093 -1.196 -5.455 1.00 0.00 C ATOM 820 C LEU A 72 3.196 0.158 -6.119 1.00 0.00 C ATOM 821 O LEU A 72 2.577 0.426 -7.148 1.00 0.00 O ATOM 822 CB LEU A 72 2.476 -1.040 -4.068 1.00 0.00 C ATOM 823 CG LEU A 72 1.120 -0.333 -4.026 1.00 0.00 C ATOM 824 CD1 LEU A 72 -0.002 -1.339 -3.815 1.00 0.00 C ATOM 825 CD2 LEU A 72 1.109 0.723 -2.929 1.00 0.00 C ATOM 0 H LEU A 72 4.752 -1.862 -4.372 1.00 0.00 H new ATOM 0 HA LEU A 72 2.464 -1.858 -6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.364 -2.030 -3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.174 -0.487 -3.439 1.00 0.00 H new ATOM 0 HG LEU A 72 0.957 0.162 -4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.958 -0.817 -3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.004 -2.058 -4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.152 -1.863 -2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.138 1.218 -2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.293 0.248 -1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.888 1.459 -3.125 1.00 0.00 H new ATOM 837 N ALA A 73 4.024 0.992 -5.516 1.00 0.00 N ATOM 838 CA ALA A 73 4.284 2.330 -6.023 1.00 0.00 C ATOM 839 C ALA A 73 4.788 2.253 -7.449 1.00 0.00 C ATOM 840 O ALA A 73 4.625 3.190 -8.223 1.00 0.00 O ATOM 841 CB ALA A 73 5.279 3.064 -5.132 1.00 0.00 C ATOM 0 H ALA A 73 4.535 0.763 -4.663 1.00 0.00 H new ATOM 0 HA ALA A 73 3.352 2.895 -6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.458 4.062 -5.531 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.874 3.144 -4.123 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.218 2.511 -5.103 1.00 0.00 H new ATOM 847 N GLU A 74 5.365 1.112 -7.798 1.00 0.00 N ATOM 848 CA GLU A 74 5.851 0.886 -9.137 1.00 0.00 C ATOM 849 C GLU A 74 4.657 0.703 -10.059 1.00 0.00 C ATOM 850 O GLU A 74 4.641 1.175 -11.196 1.00 0.00 O ATOM 851 CB GLU A 74 6.723 -0.360 -9.150 1.00 0.00 C ATOM 852 CG GLU A 74 7.685 -0.408 -10.317 1.00 0.00 C ATOM 853 CD GLU A 74 7.932 -1.818 -10.816 1.00 0.00 C ATOM 854 OE1 GLU A 74 6.946 -2.558 -11.019 1.00 0.00 O ATOM 855 OE2 GLU A 74 9.112 -2.184 -11.004 1.00 0.00 O ATOM 0 H GLU A 74 5.505 0.327 -7.161 1.00 0.00 H new ATOM 0 HA GLU A 74 6.446 1.734 -9.476 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.289 -0.408 -8.220 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.083 -1.242 -9.180 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.290 0.197 -11.133 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.634 0.039 -10.019 1.00 0.00 H new ATOM 862 N LYS A 75 3.646 0.027 -9.526 1.00 0.00 N ATOM 863 CA LYS A 75 2.407 -0.228 -10.239 1.00 0.00 C ATOM 864 C LYS A 75 1.621 1.051 -10.386 1.00 0.00 C ATOM 865 O LYS A 75 1.445 1.574 -11.485 1.00 0.00 O ATOM 866 CB LYS A 75 1.585 -1.232 -9.465 1.00 0.00 C ATOM 867 CG LYS A 75 2.323 -2.515 -9.249 1.00 0.00 C ATOM 868 CD LYS A 75 1.641 -3.381 -8.214 1.00 0.00 C ATOM 869 CE LYS A 75 1.598 -4.839 -8.642 1.00 0.00 C ATOM 870 NZ LYS A 75 1.203 -5.735 -7.520 1.00 0.00 N ATOM 0 H LYS A 75 3.666 -0.360 -8.583 1.00 0.00 H new ATOM 0 HA LYS A 75 2.639 -0.620 -11.229 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.308 -0.807 -8.500 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.658 -1.433 -10.003 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.392 -3.059 -10.191 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.343 -2.300 -8.930 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.168 -3.296 -7.264 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.626 -3.020 -8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.893 -4.955 -9.465 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.577 -5.137 -9.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.185 -6.720 -7.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.890 -5.643 -6.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.258 -5.468 -7.179 1.00 0.00 H new ATOM 884 N ALA A 76 1.158 1.547 -9.249 1.00 0.00 N ATOM 885 CA ALA A 76 0.388 2.791 -9.210 1.00 0.00 C ATOM 886 C ALA A 76 1.043 3.827 -10.109 1.00 0.00 C ATOM 887 O ALA A 76 0.379 4.546 -10.857 1.00 0.00 O ATOM 888 CB ALA A 76 0.298 3.332 -7.792 1.00 0.00 C ATOM 0 H ALA A 76 1.300 1.111 -8.338 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.621 2.580 -9.564 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.279 4.257 -7.791 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.192 2.598 -7.153 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.301 3.530 -7.414 1.00 0.00 H new ATOM 894 N LEU A 77 2.364 3.872 -10.033 1.00 0.00 N ATOM 895 CA LEU A 77 3.146 4.784 -10.841 1.00 0.00 C ATOM 896 C LEU A 77 2.912 4.538 -12.325 1.00 0.00 C ATOM 897 O LEU A 77 2.810 5.475 -13.116 1.00 0.00 O ATOM 898 CB LEU A 77 4.627 4.617 -10.525 1.00 0.00 C ATOM 899 CG LEU A 77 5.190 5.547 -9.455 1.00 0.00 C ATOM 900 CD1 LEU A 77 6.652 5.214 -9.195 1.00 0.00 C ATOM 901 CD2 LEU A 77 5.036 7.001 -9.879 1.00 0.00 C ATOM 0 H LEU A 77 2.917 3.281 -9.413 1.00 0.00 H new ATOM 0 HA LEU A 77 2.832 5.801 -10.605 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.797 3.588 -10.210 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.194 4.767 -11.444 1.00 0.00 H new ATOM 0 HG LEU A 77 4.630 5.402 -8.531 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.047 5.882 -8.430 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.735 4.182 -8.854 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.223 5.339 -10.115 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.443 7.651 -9.104 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.575 7.167 -10.812 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.980 7.228 -10.025 1.00 0.00 H new ATOM 913 N ALA A 78 2.830 3.266 -12.691 1.00 0.00 N ATOM 914 CA ALA A 78 2.608 2.873 -14.075 1.00 0.00 C ATOM 915 C ALA A 78 1.388 3.581 -14.658 1.00 0.00 C ATOM 916 O ALA A 78 1.290 3.773 -15.870 1.00 0.00 O ATOM 917 CB ALA A 78 2.460 1.368 -14.157 1.00 0.00 C ATOM 0 H ALA A 78 2.915 2.483 -12.042 1.00 0.00 H new ATOM 0 HA ALA A 78 3.470 3.174 -14.671 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.294 1.075 -15.194 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.368 0.892 -13.786 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.611 1.052 -13.550 1.00 0.00 H new ATOM 923 N LEU A 79 0.479 4.000 -13.782 1.00 0.00 N ATOM 924 CA LEU A 79 -0.711 4.724 -14.199 1.00 0.00 C ATOM 925 C LEU A 79 -0.400 6.213 -14.213 1.00 0.00 C ATOM 926 O LEU A 79 -1.001 6.990 -14.954 1.00 0.00 O ATOM 927 CB LEU A 79 -1.888 4.477 -13.240 1.00 0.00 C ATOM 928 CG LEU A 79 -1.798 3.248 -12.328 1.00 0.00 C ATOM 929 CD1 LEU A 79 -2.359 3.582 -10.954 1.00 0.00 C ATOM 930 CD2 LEU A 79 -2.550 2.075 -12.941 1.00 0.00 C ATOM 0 H LEU A 79 0.547 3.848 -12.776 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.995 4.371 -15.191 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.002 5.359 -12.609 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.797 4.391 -13.835 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.751 2.963 -12.221 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.292 2.705 -10.311 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.785 4.398 -10.515 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.402 3.883 -11.050 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.476 1.211 -12.281 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.598 2.343 -13.072 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.115 1.830 -13.910 1.00 0.00 H new ATOM 942 N GLY A 80 0.544 6.591 -13.359 1.00 0.00 N ATOM 943 CA GLY A 80 0.946 7.970 -13.232 1.00 0.00 C ATOM 944 C GLY A 80 0.486 8.557 -11.915 1.00 0.00 C ATOM 945 O GLY A 80 0.502 9.774 -11.727 1.00 0.00 O ATOM 0 H GLY A 80 1.044 5.949 -12.743 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.031 8.043 -13.306 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.530 8.550 -14.056 1.00 0.00 H new ATOM 949 N ILE A 81 0.078 7.681 -10.998 1.00 0.00 N ATOM 950 CA ILE A 81 -0.383 8.109 -9.690 1.00 0.00 C ATOM 951 C ILE A 81 0.784 8.618 -8.870 1.00 0.00 C ATOM 952 O ILE A 81 1.637 7.853 -8.419 1.00 0.00 O ATOM 953 CB ILE A 81 -1.132 6.967 -8.956 1.00 0.00 C ATOM 954 CG1 ILE A 81 -2.532 6.751 -9.564 1.00 0.00 C ATOM 955 CG2 ILE A 81 -1.250 7.258 -7.463 1.00 0.00 C ATOM 956 CD1 ILE A 81 -2.734 7.375 -10.933 1.00 0.00 C ATOM 0 H ILE A 81 0.060 6.671 -11.142 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.093 8.925 -9.823 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.550 6.055 -9.084 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.720 5.680 -9.637 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.277 7.159 -8.881 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.780 6.441 -6.974 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.254 7.355 -7.031 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.801 8.187 -7.316 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.747 7.171 -11.280 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.583 8.452 -10.868 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.017 6.950 -11.636 1.00 0.00 H new ATOM 968 N LYS A 82 0.819 9.930 -8.716 1.00 0.00 N ATOM 969 CA LYS A 82 1.869 10.593 -7.998 1.00 0.00 C ATOM 970 C LYS A 82 1.501 10.799 -6.537 1.00 0.00 C ATOM 971 O LYS A 82 2.235 10.397 -5.639 1.00 0.00 O ATOM 972 CB LYS A 82 2.136 11.931 -8.662 1.00 0.00 C ATOM 973 CG LYS A 82 3.404 12.552 -8.177 1.00 0.00 C ATOM 974 CD LYS A 82 4.056 13.423 -9.238 1.00 0.00 C ATOM 975 CE LYS A 82 4.686 14.666 -8.631 1.00 0.00 C ATOM 976 NZ LYS A 82 6.165 14.541 -8.516 1.00 0.00 N ATOM 0 H LYS A 82 0.111 10.560 -9.092 1.00 0.00 H new ATOM 0 HA LYS A 82 2.764 9.971 -8.023 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.188 11.796 -9.742 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.303 12.606 -8.465 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.197 13.153 -7.292 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.099 11.768 -7.875 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.818 12.848 -9.764 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.311 13.716 -9.978 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.442 15.533 -9.245 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.259 14.844 -7.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.555 15.409 -8.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.399 13.729 -7.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.576 14.397 -9.461 1.00 0.00 H new ATOM 990 N GLN A 83 0.359 11.431 -6.312 1.00 0.00 N ATOM 991 CA GLN A 83 -0.118 11.696 -4.964 1.00 0.00 C ATOM 992 C GLN A 83 -1.360 10.870 -4.673 1.00 0.00 C ATOM 993 O GLN A 83 -2.184 10.643 -5.559 1.00 0.00 O ATOM 994 CB GLN A 83 -0.424 13.185 -4.790 1.00 0.00 C ATOM 995 CG GLN A 83 0.345 13.825 -3.650 1.00 0.00 C ATOM 996 CD GLN A 83 -0.531 14.134 -2.451 1.00 0.00 C ATOM 997 OE1 GLN A 83 -1.700 14.490 -2.597 1.00 0.00 O ATOM 998 NE2 GLN A 83 0.033 13.997 -1.256 1.00 0.00 N ATOM 0 H GLN A 83 -0.257 11.771 -7.050 1.00 0.00 H new ATOM 0 HA GLN A 83 0.664 11.415 -4.259 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.189 13.708 -5.717 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.492 13.311 -4.615 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.152 13.159 -3.343 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.809 14.746 -4.003 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.006 13.699 -1.182 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.507 14.190 -0.412 1.00 0.00 H new ATOM 1007 N VAL A 84 -1.492 10.414 -3.435 1.00 0.00 N ATOM 1008 CA VAL A 84 -2.642 9.607 -3.058 1.00 0.00 C ATOM 1009 C VAL A 84 -3.300 10.112 -1.783 1.00 0.00 C ATOM 1010 O VAL A 84 -2.682 10.796 -0.968 1.00 0.00 O ATOM 1011 CB VAL A 84 -2.281 8.115 -2.844 1.00 0.00 C ATOM 1012 CG1 VAL A 84 -3.320 7.215 -3.473 1.00 0.00 C ATOM 1013 CG2 VAL A 84 -0.916 7.777 -3.397 1.00 0.00 C ATOM 0 H VAL A 84 -0.825 10.587 -2.683 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.333 9.696 -3.896 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.261 7.947 -1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.045 6.173 -3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.292 7.409 -3.020 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.373 7.413 -4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.705 6.722 -3.225 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.896 7.981 -4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.161 8.384 -2.898 1.00 0.00 H new ATOM 1023 N ALA A 85 -4.550 9.715 -1.609 1.00 0.00 N ATOM 1024 CA ALA A 85 -5.317 10.054 -0.426 1.00 0.00 C ATOM 1025 C ALA A 85 -5.369 8.820 0.449 1.00 0.00 C ATOM 1026 O ALA A 85 -6.283 8.005 0.337 1.00 0.00 O ATOM 1027 CB ALA A 85 -6.719 10.514 -0.802 1.00 0.00 C ATOM 0 H ALA A 85 -5.060 9.148 -2.286 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.846 10.879 0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.275 10.763 0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.654 11.394 -1.442 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.233 9.715 -1.336 1.00 0.00 H new ATOM 1033 N PHE A 86 -4.349 8.651 1.275 1.00 0.00 N ATOM 1034 CA PHE A 86 -4.255 7.469 2.109 1.00 0.00 C ATOM 1035 C PHE A 86 -5.119 7.564 3.352 1.00 0.00 C ATOM 1036 O PHE A 86 -4.810 8.286 4.299 1.00 0.00 O ATOM 1037 CB PHE A 86 -2.810 7.211 2.500 1.00 0.00 C ATOM 1038 CG PHE A 86 -2.610 5.838 3.042 1.00 0.00 C ATOM 1039 CD1 PHE A 86 -3.009 5.534 4.331 1.00 0.00 C ATOM 1040 CD2 PHE A 86 -2.046 4.847 2.258 1.00 0.00 C ATOM 1041 CE1 PHE A 86 -2.849 4.264 4.836 1.00 0.00 C ATOM 1042 CE2 PHE A 86 -1.886 3.569 2.758 1.00 0.00 C ATOM 1043 CZ PHE A 86 -2.289 3.280 4.050 1.00 0.00 C ATOM 0 H PHE A 86 -3.581 9.313 1.384 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.629 6.633 1.517 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.169 7.353 1.630 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.501 7.943 3.246 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.451 6.302 4.948 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.729 5.074 1.251 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.161 4.039 5.845 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.448 2.798 2.142 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.164 2.282 4.443 1.00 0.00 H new ATOM 1053 N ASP A 87 -6.209 6.811 3.325 1.00 0.00 N ATOM 1054 CA ASP A 87 -7.150 6.767 4.427 1.00 0.00 C ATOM 1055 C ASP A 87 -7.838 5.416 4.480 1.00 0.00 C ATOM 1056 O ASP A 87 -8.804 5.184 3.753 1.00 0.00 O ATOM 1057 CB ASP A 87 -8.192 7.863 4.253 1.00 0.00 C ATOM 1058 CG ASP A 87 -8.131 8.907 5.351 1.00 0.00 C ATOM 1059 OD1 ASP A 87 -7.034 9.121 5.908 1.00 0.00 O ATOM 1060 OD2 ASP A 87 -9.182 9.512 5.654 1.00 0.00 O ATOM 0 H ASP A 87 -6.463 6.215 2.537 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.607 6.923 5.359 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.046 8.348 3.288 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.186 7.415 4.238 1.00 0.00 H new ATOM 1065 N ARG A 88 -7.357 4.519 5.331 1.00 0.00 N ATOM 1066 CA ARG A 88 -7.978 3.212 5.423 1.00 0.00 C ATOM 1067 C ARG A 88 -9.194 3.231 6.348 1.00 0.00 C ATOM 1068 O ARG A 88 -9.922 2.243 6.447 1.00 0.00 O ATOM 1069 CB ARG A 88 -6.997 2.138 5.878 1.00 0.00 C ATOM 1070 CG ARG A 88 -7.406 0.755 5.403 1.00 0.00 C ATOM 1071 CD ARG A 88 -7.632 0.744 3.896 1.00 0.00 C ATOM 1072 NE ARG A 88 -7.838 -0.601 3.364 1.00 0.00 N ATOM 1073 CZ ARG A 88 -8.958 -0.999 2.756 1.00 0.00 C ATOM 1074 NH1 ARG A 88 -9.978 -0.162 2.596 1.00 0.00 N ATOM 1075 NH2 ARG A 88 -9.060 -2.240 2.302 1.00 0.00 N ATOM 0 H ARG A 88 -6.561 4.669 5.950 1.00 0.00 H new ATOM 0 HA ARG A 88 -8.309 2.961 4.415 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.002 2.372 5.499 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -6.933 2.143 6.966 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.633 0.033 5.664 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -8.318 0.445 5.914 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -8.499 1.360 3.659 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -6.773 1.198 3.401 1.00 0.00 H new ATOM 0 HE ARG A 88 -7.080 -1.277 3.463 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -9.910 0.796 2.939 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -10.829 -0.478 2.130 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -8.283 -2.891 2.417 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -9.916 -2.544 1.837 1.00 0.00 H new ATOM 1089 N GLY A 89 -9.411 4.357 7.026 1.00 0.00 N ATOM 1090 CA GLY A 89 -10.541 4.472 7.929 1.00 0.00 C ATOM 1091 C GLY A 89 -10.113 4.698 9.369 1.00 0.00 C ATOM 1092 O GLY A 89 -9.603 5.767 9.702 1.00 0.00 O ATOM 0 H GLY A 89 -8.824 5.189 6.965 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.176 5.298 7.608 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.143 3.565 7.870 1.00 0.00 H new ATOM 1096 N PRO A 90 -10.305 3.703 10.256 1.00 0.00 N ATOM 1097 CA PRO A 90 -9.932 3.808 11.658 1.00 0.00 C ATOM 1098 C PRO A 90 -8.534 3.260 11.922 1.00 0.00 C ATOM 1099 O PRO A 90 -8.275 2.668 12.969 1.00 0.00 O ATOM 1100 CB PRO A 90 -10.985 2.936 12.331 1.00 0.00 C ATOM 1101 CG PRO A 90 -11.280 1.856 11.336 1.00 0.00 C ATOM 1102 CD PRO A 90 -10.903 2.388 9.969 1.00 0.00 C ATOM 0 HA PRO A 90 -9.901 4.837 12.016 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.614 2.520 13.268 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -11.881 3.510 12.569 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.712 0.955 11.568 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -12.335 1.584 11.365 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.197 1.729 9.464 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.774 2.478 9.320 1.00 0.00 H new ATOM 1110 N TYR A 91 -7.642 3.451 10.957 1.00 0.00 N ATOM 1111 CA TYR A 91 -6.273 2.967 11.073 1.00 0.00 C ATOM 1112 C TYR A 91 -5.435 3.853 11.983 1.00 0.00 C ATOM 1113 O TYR A 91 -5.511 5.080 11.923 1.00 0.00 O ATOM 1114 CB TYR A 91 -5.621 2.885 9.692 1.00 0.00 C ATOM 1115 CG TYR A 91 -5.804 1.548 9.011 1.00 0.00 C ATOM 1116 CD1 TYR A 91 -6.932 0.769 9.249 1.00 0.00 C ATOM 1117 CD2 TYR A 91 -4.844 1.062 8.132 1.00 0.00 C ATOM 1118 CE1 TYR A 91 -7.095 -0.455 8.632 1.00 0.00 C ATOM 1119 CE2 TYR A 91 -5.001 -0.160 7.508 1.00 0.00 C ATOM 1120 CZ TYR A 91 -6.128 -0.915 7.763 1.00 0.00 C ATOM 1121 OH TYR A 91 -6.289 -2.134 7.148 1.00 0.00 O ATOM 0 H TYR A 91 -7.844 3.939 10.084 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.316 1.973 11.517 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.038 3.666 9.056 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.555 3.089 9.791 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.692 1.128 9.927 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -3.960 1.650 7.933 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -7.975 -1.049 8.829 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.247 -0.522 6.825 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.085 -2.109 6.576 1.00 0.00 H new ATOM 1131 N LYS A 92 -4.623 3.213 12.814 1.00 0.00 N ATOM 1132 CA LYS A 92 -3.745 3.922 13.733 1.00 0.00 C ATOM 1133 C LYS A 92 -2.297 3.536 13.464 1.00 0.00 C ATOM 1134 O LYS A 92 -1.842 2.480 13.901 1.00 0.00 O ATOM 1135 CB LYS A 92 -4.115 3.601 15.182 1.00 0.00 C ATOM 1136 CG LYS A 92 -3.324 4.403 16.203 1.00 0.00 C ATOM 1137 CD LYS A 92 -3.693 5.877 16.162 1.00 0.00 C ATOM 1138 CE LYS A 92 -2.475 6.763 16.365 1.00 0.00 C ATOM 1139 NZ LYS A 92 -2.854 8.139 16.790 1.00 0.00 N ATOM 0 H LYS A 92 -4.555 2.197 12.870 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.864 4.994 13.576 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -5.178 3.791 15.328 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.954 2.538 15.363 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.511 4.008 17.201 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.257 4.289 16.010 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.158 6.110 15.204 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.432 6.090 16.935 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.823 6.318 17.117 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.904 6.814 15.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.995 8.712 16.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.455 8.574 16.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.377 8.093 17.688 1.00 0.00 H new ATOM 1153 N TYR A 93 -1.589 4.401 12.729 1.00 0.00 N ATOM 1154 CA TYR A 93 -0.183 4.180 12.362 1.00 0.00 C ATOM 1155 C TYR A 93 0.355 2.854 12.903 1.00 0.00 C ATOM 1156 O TYR A 93 0.695 2.743 14.081 1.00 0.00 O ATOM 1157 CB TYR A 93 0.671 5.343 12.878 1.00 0.00 C ATOM 1158 CG TYR A 93 1.893 5.645 12.034 1.00 0.00 C ATOM 1159 CD1 TYR A 93 1.890 5.440 10.657 1.00 0.00 C ATOM 1160 CD2 TYR A 93 3.052 6.138 12.619 1.00 0.00 C ATOM 1161 CE1 TYR A 93 3.007 5.717 9.893 1.00 0.00 C ATOM 1162 CE2 TYR A 93 4.172 6.419 11.860 1.00 0.00 C ATOM 1163 CZ TYR A 93 4.146 6.206 10.498 1.00 0.00 C ATOM 1164 OH TYR A 93 5.262 6.487 9.741 1.00 0.00 O ATOM 0 H TYR A 93 -1.974 5.275 12.371 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.128 4.131 11.275 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.051 6.238 12.931 1.00 0.00 H new ATOM 0 HB3 TYR A 93 0.993 5.118 13.895 1.00 0.00 H new ATOM 0 HD1 TYR A 93 1.000 5.058 10.178 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.078 6.305 13.686 1.00 0.00 H new ATOM 0 HE1 TYR A 93 2.989 5.551 8.826 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.064 6.804 12.332 1.00 0.00 H new ATOM 0 HH TYR A 93 5.975 6.824 10.322 1.00 0.00 H new ATOM 1174 N HIS A 94 0.413 1.847 12.031 1.00 0.00 N ATOM 1175 CA HIS A 94 0.892 0.523 12.418 1.00 0.00 C ATOM 1176 C HIS A 94 2.161 0.147 11.657 1.00 0.00 C ATOM 1177 O HIS A 94 2.495 0.762 10.645 1.00 0.00 O ATOM 1178 CB HIS A 94 -0.198 -0.524 12.172 1.00 0.00 C ATOM 1179 CG HIS A 94 -0.615 -1.255 13.410 1.00 0.00 C ATOM 1180 ND1 HIS A 94 -0.068 -2.462 13.793 1.00 0.00 N ATOM 1181 CD2 HIS A 94 -1.533 -0.944 14.356 1.00 0.00 C ATOM 1182 CE1 HIS A 94 -0.632 -2.862 14.919 1.00 0.00 C ATOM 1183 NE2 HIS A 94 -1.523 -1.958 15.282 1.00 0.00 N ATOM 0 H HIS A 94 0.134 1.924 11.053 1.00 0.00 H new ATOM 0 HA HIS A 94 1.132 0.550 13.481 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.070 -0.034 11.738 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.161 -1.245 11.438 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -2.157 -0.063 14.378 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -0.403 -3.773 15.452 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -2.109 -2.005 16.115 1.00 0.00 H new ATOM 1192 N GLY A 95 2.866 -0.866 12.163 1.00 0.00 N ATOM 1193 CA GLY A 95 4.103 -1.320 11.542 1.00 0.00 C ATOM 1194 C GLY A 95 4.053 -1.327 10.024 1.00 0.00 C ATOM 1195 O GLY A 95 4.836 -0.638 9.371 1.00 0.00 O ATOM 0 H GLY A 95 2.599 -1.384 13.000 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.921 -0.677 11.868 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.329 -2.326 11.895 1.00 0.00 H new ATOM 1199 N ARG A 96 3.135 -2.108 9.461 1.00 0.00 N ATOM 1200 CA ARG A 96 2.993 -2.199 8.010 1.00 0.00 C ATOM 1201 C ARG A 96 2.970 -0.812 7.374 1.00 0.00 C ATOM 1202 O ARG A 96 3.912 -0.421 6.688 1.00 0.00 O ATOM 1203 CB ARG A 96 1.717 -2.956 7.648 1.00 0.00 C ATOM 1204 CG ARG A 96 1.679 -4.379 8.182 1.00 0.00 C ATOM 1205 CD ARG A 96 2.404 -5.341 7.255 1.00 0.00 C ATOM 1206 NE ARG A 96 2.406 -6.706 7.776 1.00 0.00 N ATOM 1207 CZ ARG A 96 3.022 -7.726 7.181 1.00 0.00 C ATOM 1208 NH1 ARG A 96 3.684 -7.540 6.046 1.00 0.00 N ATOM 1209 NH2 ARG A 96 2.975 -8.935 7.723 1.00 0.00 N ATOM 0 H ARG A 96 2.479 -2.686 9.986 1.00 0.00 H new ATOM 0 HA ARG A 96 3.854 -2.743 7.622 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.858 -2.409 8.036 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.615 -2.982 6.563 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.137 -4.410 9.171 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.643 -4.697 8.300 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.928 -5.328 6.275 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.431 -5.005 7.115 1.00 0.00 H new ATOM 0 HE ARG A 96 1.906 -6.888 8.646 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.723 -6.612 5.625 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.154 -8.325 5.595 1.00 0.00 H new ATOM 0 HH21 ARG A 96 2.467 -9.084 8.595 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.447 -9.717 7.268 1.00 0.00 H new ATOM 1223 N VAL A 97 1.884 -0.077 7.613 1.00 0.00 N ATOM 1224 CA VAL A 97 1.714 1.275 7.078 1.00 0.00 C ATOM 1225 C VAL A 97 3.034 2.018 6.994 1.00 0.00 C ATOM 1226 O VAL A 97 3.279 2.753 6.049 1.00 0.00 O ATOM 1227 CB VAL A 97 0.753 2.103 7.944 1.00 0.00 C ATOM 1228 CG1 VAL A 97 0.430 3.431 7.277 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -0.506 1.315 8.218 1.00 0.00 C ATOM 0 H VAL A 97 1.100 -0.400 8.180 1.00 0.00 H new ATOM 0 HA VAL A 97 1.301 1.154 6.077 1.00 0.00 H new ATOM 0 HB VAL A 97 1.240 2.320 8.895 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.252 3.999 7.909 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.349 3.999 7.133 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.039 3.248 6.310 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.181 1.910 8.833 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.995 1.070 7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.252 0.395 8.744 1.00 0.00 H new ATOM 1239 N LYS A 98 3.881 1.828 7.990 1.00 0.00 N ATOM 1240 CA LYS A 98 5.169 2.493 8.006 1.00 0.00 C ATOM 1241 C LYS A 98 6.015 2.051 6.820 1.00 0.00 C ATOM 1242 O LYS A 98 6.118 2.761 5.821 1.00 0.00 O ATOM 1243 CB LYS A 98 5.899 2.213 9.316 1.00 0.00 C ATOM 1244 CG LYS A 98 6.102 3.461 10.150 1.00 0.00 C ATOM 1245 CD LYS A 98 5.609 3.275 11.572 1.00 0.00 C ATOM 1246 CE LYS A 98 4.117 3.002 11.613 1.00 0.00 C ATOM 1247 NZ LYS A 98 3.741 2.201 12.810 1.00 0.00 N ATOM 0 H LYS A 98 3.701 1.223 8.792 1.00 0.00 H new ATOM 0 HA LYS A 98 5.001 3.567 7.927 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.333 1.483 9.894 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.868 1.765 9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.160 3.721 10.163 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.575 4.296 9.689 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.144 2.448 12.038 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.833 4.168 12.155 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.573 3.947 11.621 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.819 2.470 10.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.707 2.204 12.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.074 1.223 12.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.179 2.616 13.657 1.00 0.00 H new ATOM 1261 N ALA A 99 6.615 0.873 6.937 1.00 0.00 N ATOM 1262 CA ALA A 99 7.452 0.332 5.876 1.00 0.00 C ATOM 1263 C ALA A 99 6.695 0.246 4.554 1.00 0.00 C ATOM 1264 O ALA A 99 7.272 0.438 3.487 1.00 0.00 O ATOM 1265 CB ALA A 99 7.976 -1.041 6.270 1.00 0.00 C ATOM 0 H ALA A 99 6.537 0.273 7.758 1.00 0.00 H new ATOM 0 HA ALA A 99 8.293 1.011 5.736 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.601 -1.436 5.469 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.566 -0.957 7.182 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.137 -1.715 6.441 1.00 0.00 H new ATOM 1271 N LEU A 100 5.401 -0.039 4.631 1.00 0.00 N ATOM 1272 CA LEU A 100 4.575 -0.155 3.452 1.00 0.00 C ATOM 1273 C LEU A 100 4.404 1.187 2.777 1.00 0.00 C ATOM 1274 O LEU A 100 4.604 1.326 1.570 1.00 0.00 O ATOM 1275 CB LEU A 100 3.201 -0.705 3.839 1.00 0.00 C ATOM 1276 CG LEU A 100 2.140 -0.593 2.749 1.00 0.00 C ATOM 1277 CD1 LEU A 100 1.128 -1.718 2.869 1.00 0.00 C ATOM 1278 CD2 LEU A 100 1.435 0.756 2.805 1.00 0.00 C ATOM 0 H LEU A 100 4.905 -0.194 5.509 1.00 0.00 H new ATOM 0 HA LEU A 100 5.066 -0.835 2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.309 -1.754 4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.849 -0.176 4.725 1.00 0.00 H new ATOM 0 HG LEU A 100 2.643 -0.675 1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.380 -1.620 2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.636 -2.677 2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.640 -1.666 3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.684 0.807 2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.951 0.874 3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.164 1.554 2.664 1.00 0.00 H new ATOM 1290 N ALA A 101 3.996 2.164 3.564 1.00 0.00 N ATOM 1291 CA ALA A 101 3.752 3.495 3.042 1.00 0.00 C ATOM 1292 C ALA A 101 5.020 4.117 2.473 1.00 0.00 C ATOM 1293 O ALA A 101 4.945 4.890 1.520 1.00 0.00 O ATOM 1294 CB ALA A 101 3.101 4.377 4.092 1.00 0.00 C ATOM 0 H ALA A 101 3.827 2.062 4.565 1.00 0.00 H new ATOM 0 HA ALA A 101 3.051 3.407 2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.928 5.370 3.677 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.150 3.940 4.395 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.757 4.456 4.959 1.00 0.00 H new ATOM 1300 N GLU A 102 6.193 3.755 3.006 1.00 0.00 N ATOM 1301 CA GLU A 102 7.430 4.289 2.442 1.00 0.00 C ATOM 1302 C GLU A 102 7.613 3.682 1.068 1.00 0.00 C ATOM 1303 O GLU A 102 7.890 4.385 0.114 1.00 0.00 O ATOM 1304 CB GLU A 102 8.685 4.039 3.296 1.00 0.00 C ATOM 1305 CG GLU A 102 8.447 3.291 4.599 1.00 0.00 C ATOM 1306 CD GLU A 102 9.742 2.858 5.260 1.00 0.00 C ATOM 1307 OE1 GLU A 102 10.764 2.752 4.550 1.00 0.00 O ATOM 1308 OE2 GLU A 102 9.733 2.625 6.487 1.00 0.00 O ATOM 0 H GLU A 102 6.308 3.120 3.796 1.00 0.00 H new ATOM 0 HA GLU A 102 7.325 5.373 2.403 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.404 3.477 2.700 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.145 5.000 3.527 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.888 3.928 5.284 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.830 2.414 4.404 1.00 0.00 H new ATOM 1315 N GLY A 103 7.398 2.371 0.963 1.00 0.00 N ATOM 1316 CA GLY A 103 7.493 1.711 -0.327 1.00 0.00 C ATOM 1317 C GLY A 103 6.716 2.471 -1.366 1.00 0.00 C ATOM 1318 O GLY A 103 7.238 2.888 -2.396 1.00 0.00 O ATOM 0 H GLY A 103 7.161 1.759 1.744 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.538 1.637 -0.628 1.00 0.00 H new ATOM 0 HA3 GLY A 103 7.110 0.693 -0.250 1.00 0.00 H new ATOM 1322 N ALA A 104 5.435 2.624 -1.062 1.00 0.00 N ATOM 1323 CA ALA A 104 4.504 3.316 -1.926 1.00 0.00 C ATOM 1324 C ALA A 104 4.909 4.772 -2.104 1.00 0.00 C ATOM 1325 O ALA A 104 4.721 5.351 -3.169 1.00 0.00 O ATOM 1326 CB ALA A 104 3.101 3.210 -1.357 1.00 0.00 C ATOM 0 H ALA A 104 5.015 2.268 -0.203 1.00 0.00 H new ATOM 0 HA ALA A 104 4.521 2.846 -2.909 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.403 3.733 -2.011 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.815 2.160 -1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.076 3.661 -0.365 1.00 0.00 H new ATOM 1332 N ARG A 105 5.486 5.360 -1.059 1.00 0.00 N ATOM 1333 CA ARG A 105 5.930 6.750 -1.117 1.00 0.00 C ATOM 1334 C ARG A 105 7.361 6.844 -1.645 1.00 0.00 C ATOM 1335 O ARG A 105 7.776 7.880 -2.165 1.00 0.00 O ATOM 1336 CB ARG A 105 5.812 7.410 0.265 1.00 0.00 C ATOM 1337 CG ARG A 105 6.662 8.662 0.447 1.00 0.00 C ATOM 1338 CD ARG A 105 6.145 9.820 -0.392 1.00 0.00 C ATOM 1339 NE ARG A 105 7.123 10.254 -1.387 1.00 0.00 N ATOM 1340 CZ ARG A 105 8.158 11.046 -1.115 1.00 0.00 C ATOM 1341 NH1 ARG A 105 8.354 11.494 0.119 1.00 0.00 N ATOM 1342 NH2 ARG A 105 9.000 11.391 -2.080 1.00 0.00 N ATOM 0 H ARG A 105 5.656 4.898 -0.166 1.00 0.00 H new ATOM 0 HA ARG A 105 5.282 7.287 -1.810 1.00 0.00 H new ATOM 0 HB2 ARG A 105 4.768 7.667 0.442 1.00 0.00 H new ATOM 0 HB3 ARG A 105 6.094 6.682 1.026 1.00 0.00 H new ATOM 0 HG2 ARG A 105 6.667 8.949 1.499 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.694 8.445 0.171 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.225 9.521 -0.894 1.00 0.00 H new ATOM 0 HD3 ARG A 105 5.895 10.657 0.260 1.00 0.00 H new ATOM 0 HE ARG A 105 7.006 9.931 -2.347 1.00 0.00 H new ATOM 0 HH11 ARG A 105 7.710 11.232 0.865 1.00 0.00 H new ATOM 0 HH12 ARG A 105 9.149 12.100 0.321 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.854 11.050 -3.030 1.00 0.00 H new ATOM 0 HH22 ARG A 105 9.793 11.998 -1.872 1.00 0.00 H new ATOM 1356 N GLU A 106 8.106 5.755 -1.514 1.00 0.00 N ATOM 1357 CA GLU A 106 9.478 5.701 -1.977 1.00 0.00 C ATOM 1358 C GLU A 106 9.482 5.333 -3.458 1.00 0.00 C ATOM 1359 O GLU A 106 10.315 5.805 -4.232 1.00 0.00 O ATOM 1360 CB GLU A 106 10.267 4.667 -1.152 1.00 0.00 C ATOM 1361 CG GLU A 106 10.280 3.265 -1.746 1.00 0.00 C ATOM 1362 CD GLU A 106 11.228 2.333 -1.019 1.00 0.00 C ATOM 1363 OE1 GLU A 106 11.912 2.793 -0.080 1.00 0.00 O ATOM 1364 OE2 GLU A 106 11.289 1.142 -1.390 1.00 0.00 O ATOM 0 H GLU A 106 7.775 4.891 -1.086 1.00 0.00 H new ATOM 0 HA GLU A 106 9.957 6.672 -1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.295 5.013 -1.046 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.842 4.620 -0.149 1.00 0.00 H new ATOM 0 HG2 GLU A 106 9.272 2.851 -1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.566 3.322 -2.796 1.00 0.00 H new ATOM 1371 N GLY A 107 8.524 4.485 -3.835 1.00 0.00 N ATOM 1372 CA GLY A 107 8.401 4.057 -5.213 1.00 0.00 C ATOM 1373 C GLY A 107 7.938 5.193 -6.115 1.00 0.00 C ATOM 1374 O GLY A 107 8.496 5.392 -7.194 1.00 0.00 O ATOM 0 H GLY A 107 7.829 4.087 -3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.362 3.681 -5.565 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.693 3.231 -5.276 1.00 0.00 H new ATOM 1378 N GLY A 108 6.929 5.957 -5.672 1.00 0.00 N ATOM 1379 CA GLY A 108 6.450 7.076 -6.475 1.00 0.00 C ATOM 1380 C GLY A 108 5.255 7.817 -5.884 1.00 0.00 C ATOM 1381 O GLY A 108 5.090 9.013 -6.121 1.00 0.00 O ATOM 0 H GLY A 108 6.444 5.821 -4.785 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.268 7.784 -6.612 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.179 6.706 -7.464 1.00 0.00 H new ATOM 1385 N LEU A 109 4.402 7.109 -5.151 1.00 0.00 N ATOM 1386 CA LEU A 109 3.202 7.706 -4.571 1.00 0.00 C ATOM 1387 C LEU A 109 3.501 8.653 -3.420 1.00 0.00 C ATOM 1388 O LEU A 109 4.435 8.456 -2.653 1.00 0.00 O ATOM 1389 CB LEU A 109 2.259 6.607 -4.091 1.00 0.00 C ATOM 1390 CG LEU A 109 1.588 5.838 -5.215 1.00 0.00 C ATOM 1391 CD1 LEU A 109 2.631 5.221 -6.124 1.00 0.00 C ATOM 1392 CD2 LEU A 109 0.647 4.779 -4.663 1.00 0.00 C ATOM 0 H LEU A 109 4.519 6.117 -4.943 1.00 0.00 H new ATOM 0 HA LEU A 109 2.735 8.297 -5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.818 5.908 -3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.490 7.052 -3.459 1.00 0.00 H new ATOM 0 HG LEU A 109 0.991 6.535 -5.803 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.136 4.672 -6.926 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.252 6.008 -6.552 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.256 4.538 -5.549 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.179 4.242 -5.488 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.210 4.078 -4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.123 5.257 -4.058 1.00 0.00 H new ATOM 1404 N GLU A 110 2.671 9.678 -3.309 1.00 0.00 N ATOM 1405 CA GLU A 110 2.797 10.668 -2.248 1.00 0.00 C ATOM 1406 C GLU A 110 1.466 10.846 -1.526 1.00 0.00 C ATOM 1407 O GLU A 110 0.593 11.580 -1.985 1.00 0.00 O ATOM 1408 CB GLU A 110 3.285 12.002 -2.808 1.00 0.00 C ATOM 1409 CG GLU A 110 4.799 12.128 -2.808 1.00 0.00 C ATOM 1410 CD GLU A 110 5.393 12.042 -4.200 1.00 0.00 C ATOM 1411 OE1 GLU A 110 4.896 11.230 -5.009 1.00 0.00 O ATOM 1412 OE2 GLU A 110 6.356 12.786 -4.482 1.00 0.00 O ATOM 0 H GLU A 110 1.894 9.848 -3.948 1.00 0.00 H new ATOM 0 HA GLU A 110 3.535 10.309 -1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.916 12.119 -3.827 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.858 12.814 -2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.080 13.079 -2.355 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.225 11.341 -2.186 1.00 0.00 H new ATOM 1419 N PHE A 111 1.310 10.157 -0.405 1.00 0.00 N ATOM 1420 CA PHE A 111 0.075 10.228 0.367 1.00 0.00 C ATOM 1421 C PHE A 111 0.365 10.507 1.839 1.00 0.00 C ATOM 1422 O PHE A 111 0.661 9.544 2.576 1.00 0.00 O ATOM 1423 CB PHE A 111 -0.693 8.915 0.224 1.00 0.00 C ATOM 1424 CG PHE A 111 0.195 7.710 0.315 1.00 0.00 C ATOM 1425 CD1 PHE A 111 0.986 7.340 -0.759 1.00 0.00 C ATOM 1426 CD2 PHE A 111 0.257 6.963 1.479 1.00 0.00 C ATOM 1427 CE1 PHE A 111 1.821 6.247 -0.674 1.00 0.00 C ATOM 1428 CE2 PHE A 111 1.093 5.869 1.571 1.00 0.00 C ATOM 1429 CZ PHE A 111 1.877 5.510 0.493 1.00 0.00 C ATOM 1430 OXT PHE A 111 0.295 11.688 2.241 1.00 0.00 O ATOM 0 H PHE A 111 2.021 9.543 -0.009 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.530 11.049 -0.019 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.455 8.859 1.001 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.213 8.906 -0.734 1.00 0.00 H new ATOM 0 HD1 PHE A 111 0.948 7.914 -1.673 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -0.356 7.240 2.324 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.432 5.967 -1.520 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.134 5.295 2.485 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.533 4.655 0.562 1.00 0.00 H new