USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 THR OG1 : rot 94:sc= 1.63 USER MOD Set 1.2: A 67 THR OG1 : rot -95:sc= 0.728 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -158:sc= -0.0293 (180deg=-0.267) USER MOD Single : A 9 THR OG1 : rot 180:sc=-0.00195 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -10:sc= 0.805 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 156:sc= 0.73 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.998 K(o=1,f=-0.056) USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 160:sc= -0.043 USER MOD Single : A 52 THR OG1 : rot -177:sc= -0.0283 USER MOD Single : A 56 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0881) USER MOD Single : A 57 LYS NZ :NH3+ 154:sc= 0.832 (180deg=-0.742!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -149:sc= 0.413 (180deg=0.0958) USER MOD Single : A 85 HIS : no HD1:sc= -0.441 K(o=-0.44,f=-3.2!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 33 N VAL A 3 -4.045 9.741 -2.516 1.00 0.00 N ATOM 34 CA VAL A 3 -3.216 8.548 -2.630 1.00 0.00 C ATOM 35 C VAL A 3 -2.415 8.634 -3.927 1.00 0.00 C ATOM 36 O VAL A 3 -2.956 8.966 -4.986 1.00 0.00 O ATOM 37 CB VAL A 3 -4.073 7.278 -2.537 1.00 0.00 C ATOM 38 CG1 VAL A 3 -5.157 7.169 -3.607 1.00 0.00 C ATOM 39 CG2 VAL A 3 -3.209 6.005 -2.595 1.00 0.00 C ATOM 0 HA VAL A 3 -2.512 8.492 -1.800 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.569 7.364 -1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.714 6.243 -3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.836 8.017 -3.524 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.695 7.169 -4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.850 5.126 -2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.660 5.981 -3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.504 6.005 -1.764 1.00 0.00 H new ATOM 49 N LYS A 4 -1.141 8.275 -3.865 1.00 0.00 N ATOM 50 CA LYS A 4 -0.291 8.134 -5.034 1.00 0.00 C ATOM 51 C LYS A 4 0.072 6.675 -5.170 1.00 0.00 C ATOM 52 O LYS A 4 0.342 6.044 -4.155 1.00 0.00 O ATOM 53 CB LYS A 4 0.911 9.091 -4.899 1.00 0.00 C ATOM 54 CG LYS A 4 1.017 10.023 -6.125 1.00 0.00 C ATOM 55 CD LYS A 4 -0.248 10.883 -6.365 1.00 0.00 C ATOM 56 CE LYS A 4 -0.075 11.757 -7.606 1.00 0.00 C ATOM 57 NZ LYS A 4 -1.369 12.281 -8.096 1.00 0.00 N ATOM 0 H LYS A 4 -0.663 8.071 -2.987 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.792 8.421 -5.959 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.806 9.687 -3.993 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.830 8.514 -4.796 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.875 10.683 -5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.210 9.420 -7.013 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.117 10.236 -6.487 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.438 11.511 -5.495 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.589 12.589 -7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.404 11.177 -8.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.209 12.869 -8.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.994 11.487 -8.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.815 12.856 -7.353 1.00 0.00 H new ATOM 71 N ILE A 5 0.019 6.156 -6.393 1.00 0.00 N ATOM 72 CA ILE A 5 0.342 4.788 -6.775 1.00 0.00 C ATOM 73 C ILE A 5 1.186 4.927 -8.037 1.00 0.00 C ATOM 74 O ILE A 5 0.658 5.390 -9.051 1.00 0.00 O ATOM 75 CB ILE A 5 -0.930 3.941 -7.057 1.00 0.00 C ATOM 76 CG1 ILE A 5 -1.928 3.913 -5.878 1.00 0.00 C ATOM 77 CG2 ILE A 5 -0.515 2.510 -7.427 1.00 0.00 C ATOM 78 CD1 ILE A 5 -3.205 3.098 -6.143 1.00 0.00 C ATOM 0 H ILE A 5 -0.270 6.717 -7.194 1.00 0.00 H new ATOM 0 HA ILE A 5 0.865 4.267 -5.973 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.452 4.419 -7.886 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.425 3.502 -5.002 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.210 4.937 -5.633 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.405 1.913 -7.626 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.113 2.532 -8.317 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.042 2.068 -6.601 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.848 3.133 -5.263 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.735 3.520 -6.997 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.938 2.063 -6.357 1.00 0.00 H new ATOM 90 N GLU A 6 2.468 4.592 -7.988 1.00 0.00 N ATOM 91 CA GLU A 6 3.377 4.645 -9.135 1.00 0.00 C ATOM 92 C GLU A 6 4.348 3.469 -9.074 1.00 0.00 C ATOM 93 O GLU A 6 4.392 2.751 -8.078 1.00 0.00 O ATOM 94 CB GLU A 6 4.183 5.956 -9.146 1.00 0.00 C ATOM 95 CG GLU A 6 3.333 7.216 -8.977 1.00 0.00 C ATOM 96 CD GLU A 6 4.107 8.478 -9.343 1.00 0.00 C ATOM 97 OE1 GLU A 6 4.702 8.511 -10.447 1.00 0.00 O ATOM 98 OE2 GLU A 6 4.142 9.430 -8.537 1.00 0.00 O ATOM 0 H GLU A 6 2.919 4.268 -7.133 1.00 0.00 H new ATOM 0 HA GLU A 6 2.777 4.595 -10.043 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.923 5.921 -8.347 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.731 6.024 -10.086 1.00 0.00 H new ATOM 0 HG2 GLU A 6 2.444 7.141 -9.603 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.990 7.287 -7.945 1.00 0.00 H new ATOM 105 N LYS A 7 5.186 3.295 -10.100 1.00 0.00 N ATOM 106 CA LYS A 7 6.215 2.256 -10.112 1.00 0.00 C ATOM 107 C LYS A 7 7.598 2.914 -10.089 1.00 0.00 C ATOM 108 O LYS A 7 8.181 3.119 -11.156 1.00 0.00 O ATOM 109 CB LYS A 7 6.036 1.301 -11.296 1.00 0.00 C ATOM 110 CG LYS A 7 4.631 0.705 -11.452 1.00 0.00 C ATOM 111 CD LYS A 7 3.685 1.606 -12.266 1.00 0.00 C ATOM 112 CE LYS A 7 2.782 0.775 -13.180 1.00 0.00 C ATOM 113 NZ LYS A 7 3.555 0.152 -14.278 1.00 0.00 N ATOM 0 H LYS A 7 5.169 3.870 -10.943 1.00 0.00 H new ATOM 0 HA LYS A 7 6.117 1.640 -9.218 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.291 1.833 -12.212 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.750 0.484 -11.193 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.706 -0.267 -11.939 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.202 0.535 -10.464 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.073 2.201 -11.589 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.269 2.305 -12.865 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.285 -0.000 -12.597 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.000 1.410 -13.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.916 -0.079 -15.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.285 0.815 -14.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.008 -0.718 -13.933 1.00 0.00 H new ATOM 127 N PRO A 8 8.109 3.312 -8.911 1.00 0.00 N ATOM 128 CA PRO A 8 9.362 4.050 -8.809 1.00 0.00 C ATOM 129 C PRO A 8 10.606 3.176 -9.034 1.00 0.00 C ATOM 130 O PRO A 8 10.541 1.944 -9.001 1.00 0.00 O ATOM 131 CB PRO A 8 9.329 4.659 -7.412 1.00 0.00 C ATOM 132 CG PRO A 8 8.571 3.619 -6.610 1.00 0.00 C ATOM 133 CD PRO A 8 7.514 3.142 -7.591 1.00 0.00 C ATOM 0 HA PRO A 8 9.442 4.805 -9.591 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.332 4.822 -7.018 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.823 5.624 -7.403 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.220 2.805 -6.287 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.126 4.047 -5.712 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.251 2.100 -7.410 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.597 3.724 -7.495 1.00 0.00 H new ATOM 141 N THR A 9 11.756 3.818 -9.245 1.00 0.00 N ATOM 142 CA THR A 9 13.049 3.165 -9.476 1.00 0.00 C ATOM 143 C THR A 9 13.461 2.311 -8.259 1.00 0.00 C ATOM 144 O THR A 9 13.246 2.748 -7.131 1.00 0.00 O ATOM 145 CB THR A 9 14.072 4.248 -9.864 1.00 0.00 C ATOM 146 OG1 THR A 9 15.373 3.722 -10.007 1.00 0.00 O ATOM 147 CG2 THR A 9 14.130 5.373 -8.835 1.00 0.00 C ATOM 0 H THR A 9 11.817 4.836 -9.261 1.00 0.00 H new ATOM 0 HA THR A 9 12.989 2.457 -10.302 1.00 0.00 H new ATOM 0 HB THR A 9 13.729 4.641 -10.821 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.991 4.441 -10.255 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.864 6.115 -9.148 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.150 5.844 -8.755 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.417 4.965 -7.866 1.00 0.00 H new ATOM 155 N PRO A 10 14.114 1.149 -8.418 1.00 0.00 N ATOM 156 CA PRO A 10 14.571 0.333 -7.287 1.00 0.00 C ATOM 157 C PRO A 10 15.643 1.031 -6.437 1.00 0.00 C ATOM 158 O PRO A 10 15.760 0.721 -5.250 1.00 0.00 O ATOM 159 CB PRO A 10 15.099 -0.950 -7.936 1.00 0.00 C ATOM 160 CG PRO A 10 15.500 -0.524 -9.346 1.00 0.00 C ATOM 161 CD PRO A 10 14.446 0.523 -9.685 1.00 0.00 C ATOM 0 HA PRO A 10 13.764 0.142 -6.580 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.949 -1.353 -7.386 1.00 0.00 H new ATOM 0 HB3 PRO A 10 14.336 -1.728 -7.958 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.508 -0.109 -9.374 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.480 -1.361 -10.044 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.831 1.253 -10.397 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.568 0.065 -10.141 1.00 0.00 H new ATOM 169 N GLU A 11 16.363 1.995 -7.017 1.00 0.00 N ATOM 170 CA GLU A 11 17.463 2.710 -6.388 1.00 0.00 C ATOM 171 C GLU A 11 16.950 3.479 -5.174 1.00 0.00 C ATOM 172 O GLU A 11 17.331 3.182 -4.047 1.00 0.00 O ATOM 173 CB GLU A 11 18.125 3.618 -7.445 1.00 0.00 C ATOM 174 CG GLU A 11 19.605 3.310 -7.685 1.00 0.00 C ATOM 175 CD GLU A 11 20.552 3.947 -6.665 1.00 0.00 C ATOM 176 OE1 GLU A 11 20.863 3.295 -5.641 1.00 0.00 O ATOM 177 OE2 GLU A 11 21.037 5.068 -6.940 1.00 0.00 O ATOM 0 H GLU A 11 16.185 2.306 -7.972 1.00 0.00 H new ATOM 0 HA GLU A 11 18.223 2.021 -6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 11 17.585 3.517 -8.387 1.00 0.00 H new ATOM 0 HB3 GLU A 11 18.026 4.657 -7.131 1.00 0.00 H new ATOM 0 HG2 GLU A 11 19.747 2.229 -7.670 1.00 0.00 H new ATOM 0 HG3 GLU A 11 19.879 3.654 -8.682 1.00 0.00 H new ATOM 184 N LYS A 12 16.022 4.419 -5.388 1.00 0.00 N ATOM 185 CA LYS A 12 15.517 5.280 -4.320 1.00 0.00 C ATOM 186 C LYS A 12 14.938 4.442 -3.171 1.00 0.00 C ATOM 187 O LYS A 12 15.123 4.792 -2.012 1.00 0.00 O ATOM 188 CB LYS A 12 14.517 6.283 -4.916 1.00 0.00 C ATOM 189 CG LYS A 12 13.963 7.296 -3.906 1.00 0.00 C ATOM 190 CD LYS A 12 14.932 8.479 -3.774 1.00 0.00 C ATOM 191 CE LYS A 12 14.792 9.224 -2.447 1.00 0.00 C ATOM 192 NZ LYS A 12 13.484 9.888 -2.306 1.00 0.00 N ATOM 0 H LYS A 12 15.604 4.601 -6.301 1.00 0.00 H new ATOM 0 HA LYS A 12 16.331 5.855 -3.878 1.00 0.00 H new ATOM 0 HB2 LYS A 12 15.003 6.825 -5.727 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.685 5.732 -5.354 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.984 7.650 -4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.823 6.818 -2.936 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.955 8.116 -3.874 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.760 9.175 -4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.930 8.522 -1.624 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.584 9.969 -2.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.441 10.378 -1.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.360 10.578 -3.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.727 9.177 -2.354 1.00 0.00 H new ATOM 206 N LEU A 13 14.276 3.318 -3.462 1.00 0.00 N ATOM 207 CA LEU A 13 13.806 2.364 -2.452 1.00 0.00 C ATOM 208 C LEU A 13 14.915 1.802 -1.576 1.00 0.00 C ATOM 209 O LEU A 13 14.694 1.638 -0.376 1.00 0.00 O ATOM 210 CB LEU A 13 13.086 1.196 -3.120 1.00 0.00 C ATOM 211 CG LEU A 13 11.700 1.649 -3.585 1.00 0.00 C ATOM 212 CD1 LEU A 13 11.314 0.890 -4.851 1.00 0.00 C ATOM 213 CD2 LEU A 13 10.610 1.642 -2.528 1.00 0.00 C ATOM 0 H LEU A 13 14.049 3.041 -4.417 1.00 0.00 H new ATOM 0 HA LEU A 13 13.131 2.930 -1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.666 0.835 -3.969 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.993 0.365 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 13 11.787 2.712 -3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.327 1.213 -5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.044 1.094 -5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.295 -0.180 -4.642 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.673 1.981 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.484 0.631 -2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.889 2.310 -1.713 1.00 0.00 H new ATOM 225 N LYS A 14 16.079 1.456 -2.130 1.00 0.00 N ATOM 226 CA LYS A 14 17.199 1.043 -1.299 1.00 0.00 C ATOM 227 C LYS A 14 17.508 2.169 -0.316 1.00 0.00 C ATOM 228 O LYS A 14 17.509 1.930 0.894 1.00 0.00 O ATOM 229 CB LYS A 14 18.416 0.645 -2.157 1.00 0.00 C ATOM 230 CG LYS A 14 18.572 -0.878 -2.285 1.00 0.00 C ATOM 231 CD LYS A 14 17.638 -1.602 -3.263 1.00 0.00 C ATOM 232 CE LYS A 14 16.225 -1.725 -2.687 1.00 0.00 C ATOM 233 NZ LYS A 14 15.532 -2.956 -3.113 1.00 0.00 N ATOM 0 H LYS A 14 16.264 1.455 -3.133 1.00 0.00 H new ATOM 0 HA LYS A 14 16.939 0.149 -0.732 1.00 0.00 H new ATOM 0 HB2 LYS A 14 18.314 1.081 -3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.320 1.064 -1.716 1.00 0.00 H new ATOM 0 HG2 LYS A 14 19.600 -1.088 -2.582 1.00 0.00 H new ATOM 0 HG3 LYS A 14 18.430 -1.316 -1.297 1.00 0.00 H new ATOM 0 HD2 LYS A 14 17.603 -1.059 -4.207 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.033 -2.594 -3.481 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.280 -1.704 -1.599 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.637 -0.860 -2.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.582 -2.983 -2.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.452 -2.968 -4.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.074 -3.786 -2.798 1.00 0.00 H new ATOM 247 N GLU A 15 17.660 3.391 -0.822 1.00 0.00 N ATOM 248 CA GLU A 15 18.078 4.549 -0.027 1.00 0.00 C ATOM 249 C GLU A 15 17.054 4.897 1.053 1.00 0.00 C ATOM 250 O GLU A 15 17.401 5.297 2.165 1.00 0.00 O ATOM 251 CB GLU A 15 18.320 5.766 -0.924 1.00 0.00 C ATOM 252 CG GLU A 15 19.147 5.409 -2.160 1.00 0.00 C ATOM 253 CD GLU A 15 19.936 6.615 -2.656 1.00 0.00 C ATOM 254 OE1 GLU A 15 21.052 6.860 -2.152 1.00 0.00 O ATOM 255 OE2 GLU A 15 19.381 7.382 -3.477 1.00 0.00 O ATOM 0 H GLU A 15 17.495 3.610 -1.805 1.00 0.00 H new ATOM 0 HA GLU A 15 19.011 4.277 0.467 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.362 6.183 -1.236 1.00 0.00 H new ATOM 0 HB3 GLU A 15 18.834 6.540 -0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.832 4.595 -1.921 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.489 5.050 -2.951 1.00 0.00 H new ATOM 262 N LEU A 16 15.777 4.692 0.739 1.00 0.00 N ATOM 263 CA LEU A 16 14.636 4.903 1.632 1.00 0.00 C ATOM 264 C LEU A 16 14.650 4.001 2.867 1.00 0.00 C ATOM 265 O LEU A 16 13.795 4.204 3.724 1.00 0.00 O ATOM 266 CB LEU A 16 13.320 4.705 0.855 1.00 0.00 C ATOM 267 CG LEU A 16 12.442 5.950 0.667 1.00 0.00 C ATOM 268 CD1 LEU A 16 13.200 7.186 0.181 1.00 0.00 C ATOM 269 CD2 LEU A 16 11.378 5.607 -0.377 1.00 0.00 C ATOM 0 H LEU A 16 15.495 4.360 -0.183 1.00 0.00 H new ATOM 0 HA LEU A 16 14.714 5.927 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.562 4.306 -0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.731 3.946 1.370 1.00 0.00 H new ATOM 0 HG LEU A 16 12.028 6.203 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.506 8.020 0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 16 13.972 7.447 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.662 6.974 -0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 16 10.733 6.471 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.863 5.337 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.779 4.768 -0.024 1.00 0.00 H new ATOM 281 N SER A 17 15.587 3.054 2.962 1.00 0.00 N ATOM 282 CA SER A 17 15.794 2.093 4.036 1.00 0.00 C ATOM 283 C SER A 17 14.629 1.115 4.229 1.00 0.00 C ATOM 284 O SER A 17 14.444 0.605 5.329 1.00 0.00 O ATOM 285 CB SER A 17 16.304 2.785 5.316 1.00 0.00 C ATOM 286 OG SER A 17 15.421 3.708 5.926 1.00 0.00 O ATOM 0 H SER A 17 16.278 2.934 2.222 1.00 0.00 H new ATOM 0 HA SER A 17 16.601 1.428 3.728 1.00 0.00 H new ATOM 0 HB2 SER A 17 16.551 2.014 6.046 1.00 0.00 H new ATOM 0 HB3 SER A 17 17.231 3.306 5.077 1.00 0.00 H new ATOM 0 HG SER A 17 14.665 3.882 5.327 1.00 0.00 H new ATOM 292 N VAL A 18 13.863 0.804 3.176 1.00 0.00 N ATOM 293 CA VAL A 18 12.616 0.043 3.281 1.00 0.00 C ATOM 294 C VAL A 18 12.806 -1.332 3.939 1.00 0.00 C ATOM 295 O VAL A 18 11.917 -1.782 4.648 1.00 0.00 O ATOM 296 CB VAL A 18 11.915 -0.060 1.912 1.00 0.00 C ATOM 297 CG1 VAL A 18 10.515 -0.655 2.010 1.00 0.00 C ATOM 298 CG2 VAL A 18 11.761 1.304 1.233 1.00 0.00 C ATOM 0 H VAL A 18 14.095 1.076 2.221 1.00 0.00 H new ATOM 0 HA VAL A 18 11.961 0.600 3.950 1.00 0.00 H new ATOM 0 HB VAL A 18 12.564 -0.712 1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.070 -0.703 1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.575 -1.659 2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.898 -0.029 2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.262 1.178 0.272 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.166 1.961 1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.745 1.745 1.075 1.00 0.00 H new ATOM 308 N GLU A 19 13.951 -2.002 3.781 1.00 0.00 N ATOM 309 CA GLU A 19 14.169 -3.284 4.468 1.00 0.00 C ATOM 310 C GLU A 19 14.168 -3.153 6.002 1.00 0.00 C ATOM 311 O GLU A 19 13.924 -4.139 6.699 1.00 0.00 O ATOM 312 CB GLU A 19 15.483 -3.930 4.018 1.00 0.00 C ATOM 313 CG GLU A 19 16.676 -2.974 4.145 1.00 0.00 C ATOM 314 CD GLU A 19 18.052 -3.640 4.249 1.00 0.00 C ATOM 315 OE1 GLU A 19 18.161 -4.824 4.648 1.00 0.00 O ATOM 316 OE2 GLU A 19 19.011 -2.895 3.970 1.00 0.00 O ATOM 0 H GLU A 19 14.727 -1.690 3.198 1.00 0.00 H new ATOM 0 HA GLU A 19 13.328 -3.919 4.189 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.670 -4.822 4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.389 -4.255 2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.679 -2.309 3.281 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.527 -2.351 5.027 1.00 0.00 H new ATOM 323 N LYS A 20 14.464 -1.953 6.512 1.00 0.00 N ATOM 324 CA LYS A 20 14.490 -1.601 7.925 1.00 0.00 C ATOM 325 C LYS A 20 13.116 -1.134 8.399 1.00 0.00 C ATOM 326 O LYS A 20 12.971 -0.817 9.582 1.00 0.00 O ATOM 327 CB LYS A 20 15.480 -0.444 8.173 1.00 0.00 C ATOM 328 CG LYS A 20 16.856 -0.582 7.508 1.00 0.00 C ATOM 329 CD LYS A 20 17.824 0.450 8.102 1.00 0.00 C ATOM 330 CE LYS A 20 19.150 0.511 7.341 1.00 0.00 C ATOM 331 NZ LYS A 20 20.156 -0.452 7.834 1.00 0.00 N ATOM 0 H LYS A 20 14.704 -1.163 5.913 1.00 0.00 H new ATOM 0 HA LYS A 20 14.793 -2.494 8.472 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.021 0.481 7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 20 15.627 -0.342 9.248 1.00 0.00 H new ATOM 0 HG2 LYS A 20 17.245 -1.589 7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 20 16.767 -0.434 6.432 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.355 1.434 8.089 1.00 0.00 H new ATOM 0 HD3 LYS A 20 18.018 0.203 9.146 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.963 0.320 6.284 1.00 0.00 H new ATOM 0 HE3 LYS A 20 19.557 1.520 7.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 21.029 -0.358 7.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 20.362 -0.257 8.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 19.786 -1.419 7.739 1.00 0.00 H new ATOM 345 N TRP A 21 12.154 -0.947 7.497 1.00 0.00 N ATOM 346 CA TRP A 21 10.812 -0.529 7.858 1.00 0.00 C ATOM 347 C TRP A 21 10.104 -1.734 8.483 1.00 0.00 C ATOM 348 O TRP A 21 10.535 -2.875 8.296 1.00 0.00 O ATOM 349 CB TRP A 21 10.068 -0.010 6.616 1.00 0.00 C ATOM 350 CG TRP A 21 10.586 1.255 5.996 1.00 0.00 C ATOM 351 CD1 TRP A 21 11.747 1.885 6.298 1.00 0.00 C ATOM 352 CD2 TRP A 21 9.984 2.040 4.918 1.00 0.00 C ATOM 353 NE1 TRP A 21 11.902 2.984 5.487 1.00 0.00 N ATOM 354 CE2 TRP A 21 10.839 3.140 4.626 1.00 0.00 C ATOM 355 CE3 TRP A 21 8.813 1.922 4.135 1.00 0.00 C ATOM 356 CZ2 TRP A 21 10.542 4.075 3.625 1.00 0.00 C ATOM 357 CZ3 TRP A 21 8.509 2.850 3.119 1.00 0.00 C ATOM 358 CH2 TRP A 21 9.374 3.933 2.865 1.00 0.00 C ATOM 0 H TRP A 21 12.289 -1.083 6.495 1.00 0.00 H new ATOM 0 HA TRP A 21 10.836 0.290 8.577 1.00 0.00 H new ATOM 0 HB2 TRP A 21 10.087 -0.792 5.857 1.00 0.00 H new ATOM 0 HB3 TRP A 21 9.024 0.147 6.886 1.00 0.00 H new ATOM 0 HD1 TRP A 21 12.445 1.571 7.060 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.708 3.609 5.519 1.00 0.00 H new ATOM 0 HE3 TRP A 21 8.136 1.101 4.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.211 4.902 3.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.610 2.731 2.533 1.00 0.00 H new ATOM 0 HH2 TRP A 21 9.138 4.648 2.091 1.00 0.00 H new ATOM 369 N PRO A 22 8.993 -1.527 9.197 1.00 0.00 N ATOM 370 CA PRO A 22 8.208 -2.639 9.696 1.00 0.00 C ATOM 371 C PRO A 22 7.553 -3.418 8.549 1.00 0.00 C ATOM 372 O PRO A 22 6.952 -2.844 7.634 1.00 0.00 O ATOM 373 CB PRO A 22 7.209 -2.013 10.662 1.00 0.00 C ATOM 374 CG PRO A 22 7.052 -0.582 10.159 1.00 0.00 C ATOM 375 CD PRO A 22 8.451 -0.255 9.650 1.00 0.00 C ATOM 0 HA PRO A 22 8.813 -3.387 10.208 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.258 -2.545 10.652 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.577 -2.037 11.688 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.305 -0.510 9.368 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.741 0.096 10.954 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.416 0.471 8.838 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.067 0.178 10.438 1.00 0.00 H new ATOM 383 N ILE A 23 7.660 -4.744 8.612 1.00 0.00 N ATOM 384 CA ILE A 23 6.880 -5.677 7.810 1.00 0.00 C ATOM 385 C ILE A 23 5.441 -5.637 8.309 1.00 0.00 C ATOM 386 O ILE A 23 5.161 -5.441 9.495 1.00 0.00 O ATOM 387 CB ILE A 23 7.513 -7.092 7.914 1.00 0.00 C ATOM 388 CG1 ILE A 23 8.780 -7.079 7.040 1.00 0.00 C ATOM 389 CG2 ILE A 23 6.641 -8.309 7.520 1.00 0.00 C ATOM 390 CD1 ILE A 23 9.583 -8.367 7.095 1.00 0.00 C ATOM 0 H ILE A 23 8.312 -5.210 9.243 1.00 0.00 H new ATOM 0 HA ILE A 23 6.882 -5.404 6.755 1.00 0.00 H new ATOM 0 HB ILE A 23 7.690 -7.251 8.978 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.494 -6.886 6.006 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.417 -6.252 7.354 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.218 -9.225 7.644 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.759 -8.346 8.159 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.332 -8.213 6.479 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.459 -8.277 6.453 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.902 -8.553 8.120 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.965 -9.196 6.751 1.00 0.00 H new ATOM 402 N TRP A 24 4.528 -5.877 7.378 1.00 0.00 N ATOM 403 CA TRP A 24 3.162 -6.252 7.659 1.00 0.00 C ATOM 404 C TRP A 24 2.714 -7.234 6.573 1.00 0.00 C ATOM 405 O TRP A 24 3.131 -7.119 5.414 1.00 0.00 O ATOM 406 CB TRP A 24 2.337 -4.967 7.706 1.00 0.00 C ATOM 407 CG TRP A 24 0.908 -5.097 8.097 1.00 0.00 C ATOM 408 CD1 TRP A 24 0.379 -4.763 9.292 1.00 0.00 C ATOM 409 CD2 TRP A 24 -0.209 -5.408 7.236 1.00 0.00 C ATOM 410 NE1 TRP A 24 -0.996 -4.853 9.237 1.00 0.00 N ATOM 411 CE2 TRP A 24 -1.412 -5.185 7.964 1.00 0.00 C ATOM 412 CE3 TRP A 24 -0.306 -5.772 5.881 1.00 0.00 C ATOM 413 CZ2 TRP A 24 -2.664 -5.292 7.353 1.00 0.00 C ATOM 414 CZ3 TRP A 24 -1.552 -5.844 5.253 1.00 0.00 C ATOM 415 CH2 TRP A 24 -2.722 -5.585 5.984 1.00 0.00 C ATOM 0 H TRP A 24 4.730 -5.813 6.380 1.00 0.00 H new ATOM 0 HA TRP A 24 3.038 -6.756 8.617 1.00 0.00 H new ATOM 0 HB2 TRP A 24 2.818 -4.281 8.403 1.00 0.00 H new ATOM 0 HB3 TRP A 24 2.378 -4.502 6.721 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.947 -4.469 10.162 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -1.620 -4.696 10.029 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.590 -5.998 5.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.569 -5.152 7.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.615 -6.099 4.205 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.679 -5.612 5.485 1.00 0.00 H new ATOM 426 N GLU A 25 1.881 -8.198 6.947 1.00 0.00 N ATOM 427 CA GLU A 25 1.261 -9.214 6.111 1.00 0.00 C ATOM 428 C GLU A 25 -0.190 -9.407 6.580 1.00 0.00 C ATOM 429 O GLU A 25 -0.531 -9.019 7.704 1.00 0.00 O ATOM 430 CB GLU A 25 2.050 -10.535 6.130 1.00 0.00 C ATOM 431 CG GLU A 25 2.753 -10.913 7.444 1.00 0.00 C ATOM 432 CD GLU A 25 2.574 -12.395 7.784 1.00 0.00 C ATOM 433 OE1 GLU A 25 1.408 -12.790 8.036 1.00 0.00 O ATOM 434 OE2 GLU A 25 3.605 -13.110 7.825 1.00 0.00 O ATOM 0 H GLU A 25 1.600 -8.295 7.923 1.00 0.00 H new ATOM 0 HA GLU A 25 1.267 -8.882 5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.365 -11.342 5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.804 -10.490 5.344 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.816 -10.685 7.365 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.356 -10.304 8.256 1.00 0.00 H new ATOM 441 N LYS A 26 -1.063 -10.016 5.768 1.00 0.00 N ATOM 442 CA LYS A 26 -2.460 -10.280 6.149 1.00 0.00 C ATOM 443 C LYS A 26 -2.950 -11.585 5.501 1.00 0.00 C ATOM 444 O LYS A 26 -2.257 -12.163 4.661 1.00 0.00 O ATOM 445 CB LYS A 26 -3.332 -9.062 5.747 1.00 0.00 C ATOM 446 CG LYS A 26 -4.271 -8.515 6.846 1.00 0.00 C ATOM 447 CD LYS A 26 -5.472 -9.424 7.093 1.00 0.00 C ATOM 448 CE LYS A 26 -6.592 -8.829 7.954 1.00 0.00 C ATOM 449 NZ LYS A 26 -7.723 -9.781 8.077 1.00 0.00 N ATOM 0 H LYS A 26 -0.824 -10.340 4.831 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.538 -10.413 7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.672 -8.257 5.426 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.937 -9.341 4.884 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.711 -8.399 7.774 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.622 -7.524 6.559 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.893 -9.709 6.129 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.120 -10.339 7.570 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.206 -8.586 8.944 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.942 -7.897 7.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.470 -9.358 8.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.103 -9.993 7.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.390 -10.660 8.521 1.00 0.00 H new ATOM 463 N GLU A 27 -4.156 -12.017 5.877 1.00 0.00 N ATOM 464 CA GLU A 27 -4.968 -13.039 5.243 1.00 0.00 C ATOM 465 C GLU A 27 -5.523 -12.556 3.910 1.00 0.00 C ATOM 466 O GLU A 27 -5.338 -11.406 3.514 1.00 0.00 O ATOM 467 CB GLU A 27 -6.143 -13.346 6.191 1.00 0.00 C ATOM 468 CG GLU A 27 -6.659 -14.789 6.236 1.00 0.00 C ATOM 469 CD GLU A 27 -7.871 -14.912 7.181 1.00 0.00 C ATOM 470 OE1 GLU A 27 -8.745 -14.011 7.153 1.00 0.00 O ATOM 471 OE2 GLU A 27 -8.010 -15.920 7.906 1.00 0.00 O ATOM 0 H GLU A 27 -4.619 -11.626 6.697 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.358 -13.922 5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.843 -13.065 7.200 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.976 -12.700 5.914 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.941 -15.110 5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.863 -15.454 6.571 1.00 0.00 H new ATOM 478 N VAL A 28 -6.280 -13.457 3.290 1.00 0.00 N ATOM 479 CA VAL A 28 -6.813 -13.387 1.925 1.00 0.00 C ATOM 480 C VAL A 28 -8.280 -12.889 1.902 1.00 0.00 C ATOM 481 O VAL A 28 -8.952 -12.877 0.863 1.00 0.00 O ATOM 482 CB VAL A 28 -6.601 -14.777 1.273 1.00 0.00 C ATOM 483 CG1 VAL A 28 -6.835 -14.798 -0.245 1.00 0.00 C ATOM 484 CG2 VAL A 28 -5.172 -15.300 1.521 1.00 0.00 C ATOM 0 H VAL A 28 -6.559 -14.319 3.759 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.279 -12.643 1.334 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.347 -15.413 1.749 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.667 -15.806 -0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.860 -14.496 -0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.144 -14.108 -0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.055 -16.277 1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.450 -14.603 1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.999 -15.390 2.593 1.00 0.00 H new ATOM 494 N SER A 29 -8.803 -12.464 3.056 1.00 0.00 N ATOM 495 CA SER A 29 -10.115 -11.846 3.157 1.00 0.00 C ATOM 496 C SER A 29 -10.014 -10.366 2.776 1.00 0.00 C ATOM 497 O SER A 29 -8.918 -9.818 2.654 1.00 0.00 O ATOM 498 CB SER A 29 -10.659 -12.041 4.575 1.00 0.00 C ATOM 499 OG SER A 29 -12.056 -11.819 4.607 1.00 0.00 O ATOM 0 H SER A 29 -8.318 -12.543 3.950 1.00 0.00 H new ATOM 0 HA SER A 29 -10.813 -12.317 2.465 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.438 -13.051 4.920 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.160 -11.355 5.259 1.00 0.00 H new ATOM 0 HG SER A 29 -12.387 -11.950 5.520 1.00 0.00 H new ATOM 505 N GLU A 30 -11.145 -9.678 2.673 1.00 0.00 N ATOM 506 CA GLU A 30 -11.196 -8.229 2.485 1.00 0.00 C ATOM 507 C GLU A 30 -11.493 -7.553 3.830 1.00 0.00 C ATOM 508 O GLU A 30 -12.013 -8.193 4.750 1.00 0.00 O ATOM 509 CB GLU A 30 -12.247 -7.880 1.413 1.00 0.00 C ATOM 510 CG GLU A 30 -13.686 -8.246 1.786 1.00 0.00 C ATOM 511 CD GLU A 30 -14.678 -7.837 0.717 1.00 0.00 C ATOM 512 OE1 GLU A 30 -14.820 -8.576 -0.286 1.00 0.00 O ATOM 513 OE2 GLU A 30 -15.378 -6.820 0.895 1.00 0.00 O ATOM 0 H GLU A 30 -12.066 -10.115 2.718 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.234 -7.858 2.131 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.199 -6.810 1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.985 -8.391 0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.754 -9.321 1.950 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.949 -7.763 2.727 1.00 0.00 H new ATOM 520 N PHE A 31 -11.204 -6.257 3.931 1.00 0.00 N ATOM 521 CA PHE A 31 -11.590 -5.388 5.037 1.00 0.00 C ATOM 522 C PHE A 31 -11.604 -3.939 4.554 1.00 0.00 C ATOM 523 O PHE A 31 -11.269 -3.650 3.405 1.00 0.00 O ATOM 524 CB PHE A 31 -10.640 -5.562 6.231 1.00 0.00 C ATOM 525 CG PHE A 31 -9.174 -5.598 5.880 1.00 0.00 C ATOM 526 CD1 PHE A 31 -8.446 -4.412 5.685 1.00 0.00 C ATOM 527 CD2 PHE A 31 -8.552 -6.845 5.711 1.00 0.00 C ATOM 528 CE1 PHE A 31 -7.113 -4.486 5.255 1.00 0.00 C ATOM 529 CE2 PHE A 31 -7.218 -6.909 5.300 1.00 0.00 C ATOM 530 CZ PHE A 31 -6.514 -5.733 5.024 1.00 0.00 C ATOM 0 H PHE A 31 -10.672 -5.765 3.213 1.00 0.00 H new ATOM 0 HA PHE A 31 -12.589 -5.662 5.376 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.810 -4.746 6.933 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -10.897 -6.486 6.749 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.908 -3.453 5.865 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.104 -7.754 5.898 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.546 -3.580 5.101 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.731 -7.867 5.196 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.509 -5.785 4.633 1.00 0.00 H new ATOM 540 N ASP A 32 -11.994 -3.013 5.428 1.00 0.00 N ATOM 541 CA ASP A 32 -11.920 -1.576 5.268 1.00 0.00 C ATOM 542 C ASP A 32 -10.762 -1.065 6.106 1.00 0.00 C ATOM 543 O ASP A 32 -10.634 -1.405 7.285 1.00 0.00 O ATOM 544 CB ASP A 32 -13.243 -0.894 5.643 1.00 0.00 C ATOM 545 CG ASP A 32 -14.152 -1.695 6.571 1.00 0.00 C ATOM 546 OD1 ASP A 32 -13.822 -1.931 7.757 1.00 0.00 O ATOM 547 OD2 ASP A 32 -15.188 -2.155 6.050 1.00 0.00 O ATOM 0 H ASP A 32 -12.397 -3.274 6.328 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.746 -1.331 4.220 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.018 0.061 6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.791 -0.673 4.727 1.00 0.00 H new ATOM 552 N TRP A 33 -9.900 -0.266 5.473 1.00 0.00 N ATOM 553 CA TRP A 33 -8.813 0.411 6.161 1.00 0.00 C ATOM 554 C TRP A 33 -8.956 1.930 6.046 1.00 0.00 C ATOM 555 O TRP A 33 -9.414 2.437 5.016 1.00 0.00 O ATOM 556 CB TRP A 33 -7.494 -0.090 5.578 1.00 0.00 C ATOM 557 CG TRP A 33 -6.317 0.242 6.426 1.00 0.00 C ATOM 558 CD1 TRP A 33 -5.585 1.370 6.344 1.00 0.00 C ATOM 559 CD2 TRP A 33 -5.775 -0.499 7.555 1.00 0.00 C ATOM 560 NE1 TRP A 33 -4.564 1.332 7.268 1.00 0.00 N ATOM 561 CE2 TRP A 33 -4.638 0.203 8.043 1.00 0.00 C ATOM 562 CE3 TRP A 33 -6.141 -1.676 8.239 1.00 0.00 C ATOM 563 CZ2 TRP A 33 -3.870 -0.269 9.112 1.00 0.00 C ATOM 564 CZ3 TRP A 33 -5.415 -2.123 9.359 1.00 0.00 C ATOM 565 CH2 TRP A 33 -4.275 -1.422 9.794 1.00 0.00 C ATOM 0 H TRP A 33 -9.941 -0.074 4.472 1.00 0.00 H new ATOM 0 HA TRP A 33 -8.839 0.183 7.227 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -7.548 -1.171 5.449 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -7.354 0.343 4.587 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -5.771 2.182 5.657 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -3.846 2.050 7.363 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -6.993 -2.245 7.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.972 0.252 9.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -5.735 -3.009 9.887 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.716 -1.772 10.649 1.00 0.00 H new ATOM 576 N TYR A 34 -8.548 2.663 7.080 1.00 0.00 N ATOM 577 CA TYR A 34 -8.499 4.118 7.108 1.00 0.00 C ATOM 578 C TYR A 34 -7.039 4.536 7.291 1.00 0.00 C ATOM 579 O TYR A 34 -6.277 3.892 8.016 1.00 0.00 O ATOM 580 CB TYR A 34 -9.411 4.646 8.231 1.00 0.00 C ATOM 581 CG TYR A 34 -9.775 6.117 8.108 1.00 0.00 C ATOM 582 CD1 TYR A 34 -8.864 7.131 8.461 1.00 0.00 C ATOM 583 CD2 TYR A 34 -11.055 6.478 7.651 1.00 0.00 C ATOM 584 CE1 TYR A 34 -9.197 8.490 8.289 1.00 0.00 C ATOM 585 CE2 TYR A 34 -11.414 7.829 7.522 1.00 0.00 C ATOM 586 CZ TYR A 34 -10.477 8.841 7.803 1.00 0.00 C ATOM 587 OH TYR A 34 -10.846 10.132 7.572 1.00 0.00 O ATOM 0 H TYR A 34 -8.231 2.241 7.953 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.868 4.548 6.177 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.328 4.058 8.244 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.916 4.486 9.189 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.900 6.865 8.868 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.769 5.708 7.397 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.477 9.259 8.527 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.413 8.093 7.206 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.767 10.154 7.239 1.00 0.00 H new ATOM 597 N TYR A 35 -6.645 5.632 6.649 1.00 0.00 N ATOM 598 CA TYR A 35 -5.313 6.206 6.791 1.00 0.00 C ATOM 599 C TYR A 35 -5.510 7.597 7.372 1.00 0.00 C ATOM 600 O TYR A 35 -6.105 8.451 6.717 1.00 0.00 O ATOM 601 CB TYR A 35 -4.595 6.220 5.435 1.00 0.00 C ATOM 602 CG TYR A 35 -4.310 4.832 4.889 1.00 0.00 C ATOM 603 CD1 TYR A 35 -3.259 4.069 5.430 1.00 0.00 C ATOM 604 CD2 TYR A 35 -5.107 4.287 3.863 1.00 0.00 C ATOM 605 CE1 TYR A 35 -3.004 2.773 4.959 1.00 0.00 C ATOM 606 CE2 TYR A 35 -4.839 2.997 3.368 1.00 0.00 C ATOM 607 CZ TYR A 35 -3.786 2.231 3.921 1.00 0.00 C ATOM 608 OH TYR A 35 -3.514 0.983 3.447 1.00 0.00 O ATOM 0 H TYR A 35 -7.248 6.150 6.010 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.676 5.620 7.453 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.204 6.767 4.715 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.655 6.763 5.535 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.644 4.485 6.214 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.926 4.861 3.455 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.206 2.189 5.393 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.438 2.592 2.566 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.322 0.604 3.042 1.00 0.00 H new ATOM 618 N ASP A 36 -5.105 7.809 8.624 1.00 0.00 N ATOM 619 CA ASP A 36 -5.313 9.054 9.362 1.00 0.00 C ATOM 620 C ASP A 36 -4.009 9.828 9.528 1.00 0.00 C ATOM 621 O ASP A 36 -4.051 10.917 10.103 1.00 0.00 O ATOM 622 CB ASP A 36 -6.058 8.861 10.695 1.00 0.00 C ATOM 623 CG ASP A 36 -5.216 8.234 11.813 1.00 0.00 C ATOM 624 OD1 ASP A 36 -4.513 8.944 12.568 1.00 0.00 O ATOM 625 OD2 ASP A 36 -5.371 7.016 12.028 1.00 0.00 O ATOM 0 H ASP A 36 -4.610 7.101 9.167 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.979 9.664 8.752 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.425 9.830 11.034 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.931 8.233 10.520 1.00 0.00 H new ATOM 630 N THR A 37 -2.911 9.328 8.952 1.00 0.00 N ATOM 631 CA THR A 37 -1.571 9.907 8.833 1.00 0.00 C ATOM 632 C THR A 37 -0.919 9.297 7.585 1.00 0.00 C ATOM 633 O THR A 37 -1.404 8.275 7.086 1.00 0.00 O ATOM 634 CB THR A 37 -0.756 9.678 10.129 1.00 0.00 C ATOM 635 OG1 THR A 37 -1.337 8.715 10.991 1.00 0.00 O ATOM 636 CG2 THR A 37 -0.699 11.001 10.901 1.00 0.00 C ATOM 0 H THR A 37 -2.944 8.409 8.511 1.00 0.00 H new ATOM 0 HA THR A 37 -1.613 10.989 8.712 1.00 0.00 H new ATOM 0 HB THR A 37 0.227 9.316 9.829 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.779 8.612 11.790 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.128 10.862 11.819 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.217 11.761 10.286 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.711 11.322 11.148 1.00 0.00 H new ATOM 644 N ASN A 38 0.119 9.956 7.056 1.00 0.00 N ATOM 645 CA ASN A 38 0.772 9.578 5.807 1.00 0.00 C ATOM 646 C ASN A 38 1.390 8.221 6.040 1.00 0.00 C ATOM 647 O ASN A 38 2.139 8.028 6.998 1.00 0.00 O ATOM 648 CB ASN A 38 1.858 10.566 5.372 1.00 0.00 C ATOM 649 CG ASN A 38 1.440 12.019 5.500 1.00 0.00 C ATOM 650 OD1 ASN A 38 0.734 12.576 4.654 1.00 0.00 O ATOM 651 ND2 ASN A 38 1.872 12.650 6.581 1.00 0.00 N ATOM 0 H ASN A 38 0.532 10.779 7.494 1.00 0.00 H new ATOM 0 HA ASN A 38 0.032 9.572 5.007 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.752 10.399 5.973 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.128 10.364 4.336 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.623 13.627 6.735 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.454 12.159 7.260 1.00 0.00 H new ATOM 658 N GLU A 39 1.078 7.291 5.149 1.00 0.00 N ATOM 659 CA GLU A 39 1.628 5.963 5.197 1.00 0.00 C ATOM 660 C GLU A 39 2.046 5.596 3.785 1.00 0.00 C ATOM 661 O GLU A 39 1.218 5.434 2.877 1.00 0.00 O ATOM 662 CB GLU A 39 0.595 5.027 5.791 1.00 0.00 C ATOM 663 CG GLU A 39 1.204 3.661 6.067 1.00 0.00 C ATOM 664 CD GLU A 39 0.143 2.735 6.662 1.00 0.00 C ATOM 665 OE1 GLU A 39 -0.746 3.143 7.460 1.00 0.00 O ATOM 666 OE2 GLU A 39 0.165 1.584 6.190 1.00 0.00 O ATOM 0 H GLU A 39 0.433 7.446 4.374 1.00 0.00 H new ATOM 0 HA GLU A 39 2.509 5.892 5.835 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.203 5.450 6.716 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.247 4.924 5.106 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.597 3.234 5.144 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.043 3.759 6.756 1.00 0.00 H new ATOM 673 N THR A 40 3.351 5.545 3.588 1.00 0.00 N ATOM 674 CA THR A 40 3.958 4.969 2.418 1.00 0.00 C ATOM 675 C THR A 40 4.000 3.463 2.668 1.00 0.00 C ATOM 676 O THR A 40 4.363 3.029 3.766 1.00 0.00 O ATOM 677 CB THR A 40 5.352 5.602 2.257 1.00 0.00 C ATOM 678 OG1 THR A 40 5.243 6.991 2.007 1.00 0.00 O ATOM 679 CG2 THR A 40 6.149 5.037 1.092 1.00 0.00 C ATOM 0 H THR A 40 4.027 5.913 4.257 1.00 0.00 H new ATOM 0 HA THR A 40 3.415 5.154 1.491 1.00 0.00 H new ATOM 0 HB THR A 40 5.864 5.380 3.193 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.312 7.482 2.852 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.119 5.531 1.041 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.294 3.966 1.236 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.606 5.208 0.163 1.00 0.00 H new ATOM 687 N CYS A 41 3.638 2.660 1.667 1.00 0.00 N ATOM 688 CA CYS A 41 3.969 1.251 1.677 1.00 0.00 C ATOM 689 C CYS A 41 4.503 0.829 0.321 1.00 0.00 C ATOM 690 O CYS A 41 4.216 1.457 -0.699 1.00 0.00 O ATOM 691 CB CYS A 41 2.783 0.387 2.115 1.00 0.00 C ATOM 692 SG CYS A 41 1.370 0.530 0.984 1.00 0.00 S ATOM 0 H CYS A 41 3.118 2.968 0.846 1.00 0.00 H new ATOM 0 HA CYS A 41 4.753 1.093 2.417 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.097 -0.655 2.170 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.474 0.681 3.118 1.00 0.00 H new ATOM 0 HG CYS A 41 0.399 -0.225 1.405 1.00 0.00 H new ATOM 698 N TYR A 42 5.266 -0.258 0.326 1.00 0.00 N ATOM 699 CA TYR A 42 5.956 -0.790 -0.827 1.00 0.00 C ATOM 700 C TYR A 42 5.714 -2.297 -0.884 1.00 0.00 C ATOM 701 O TYR A 42 6.079 -3.031 0.042 1.00 0.00 O ATOM 702 CB TYR A 42 7.443 -0.466 -0.720 1.00 0.00 C ATOM 703 CG TYR A 42 8.185 -0.970 -1.932 1.00 0.00 C ATOM 704 CD1 TYR A 42 8.132 -0.248 -3.134 1.00 0.00 C ATOM 705 CD2 TYR A 42 8.795 -2.234 -1.899 1.00 0.00 C ATOM 706 CE1 TYR A 42 8.730 -0.766 -4.286 1.00 0.00 C ATOM 707 CE2 TYR A 42 9.385 -2.773 -3.056 1.00 0.00 C ATOM 708 CZ TYR A 42 9.349 -2.034 -4.258 1.00 0.00 C ATOM 709 OH TYR A 42 9.839 -2.539 -5.422 1.00 0.00 O ATOM 0 H TYR A 42 5.422 -0.809 1.170 1.00 0.00 H new ATOM 0 HA TYR A 42 5.581 -0.340 -1.746 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.580 0.611 -0.625 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.856 -0.920 0.181 1.00 0.00 H new ATOM 0 HD1 TYR A 42 7.629 0.707 -3.169 1.00 0.00 H new ATOM 0 HD2 TYR A 42 8.811 -2.797 -0.977 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.718 -0.193 -5.202 1.00 0.00 H new ATOM 0 HE2 TYR A 42 9.861 -3.742 -3.025 1.00 0.00 H new ATOM 0 HH TYR A 42 10.239 -3.418 -5.255 1.00 0.00 H new ATOM 719 N ILE A 43 5.050 -2.732 -1.946 1.00 0.00 N ATOM 720 CA ILE A 43 4.697 -4.105 -2.237 1.00 0.00 C ATOM 721 C ILE A 43 5.950 -4.871 -2.645 1.00 0.00 C ATOM 722 O ILE A 43 6.799 -4.364 -3.375 1.00 0.00 O ATOM 723 CB ILE A 43 3.632 -4.157 -3.350 1.00 0.00 C ATOM 724 CG1 ILE A 43 2.482 -3.127 -3.181 1.00 0.00 C ATOM 725 CG2 ILE A 43 3.084 -5.596 -3.404 1.00 0.00 C ATOM 726 CD1 ILE A 43 1.762 -3.108 -1.830 1.00 0.00 C ATOM 0 H ILE A 43 4.725 -2.091 -2.670 1.00 0.00 H new ATOM 0 HA ILE A 43 4.274 -4.570 -1.347 1.00 0.00 H new ATOM 0 HB ILE A 43 4.110 -3.877 -4.289 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.888 -2.132 -3.363 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.741 -3.316 -3.958 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.326 -5.668 -4.184 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.898 -6.287 -3.624 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.640 -5.853 -2.442 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.983 -2.346 -1.844 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.312 -4.083 -1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.477 -2.881 -1.040 1.00 0.00 H new ATOM 738 N LEU A 44 6.023 -6.132 -2.231 1.00 0.00 N ATOM 739 CA LEU A 44 7.050 -7.060 -2.679 1.00 0.00 C ATOM 740 C LEU A 44 6.402 -8.332 -3.205 1.00 0.00 C ATOM 741 O LEU A 44 6.863 -8.859 -4.214 1.00 0.00 O ATOM 742 CB LEU A 44 7.972 -7.389 -1.504 1.00 0.00 C ATOM 743 CG LEU A 44 8.756 -6.204 -0.914 1.00 0.00 C ATOM 744 CD1 LEU A 44 8.866 -6.397 0.605 1.00 0.00 C ATOM 745 CD2 LEU A 44 10.133 -6.080 -1.590 1.00 0.00 C ATOM 0 H LEU A 44 5.363 -6.540 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 44 7.631 -6.606 -3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.372 -7.834 -0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.685 -8.147 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 44 8.232 -5.268 -1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.420 -5.564 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.867 -6.434 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.389 -7.330 0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.674 -5.237 -1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.701 -6.996 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.000 -5.919 -2.660 1.00 0.00 H new ATOM 757 N GLU A 45 5.314 -8.800 -2.592 1.00 0.00 N ATOM 758 CA GLU A 45 4.543 -9.928 -3.090 1.00 0.00 C ATOM 759 C GLU A 45 3.085 -9.758 -2.658 1.00 0.00 C ATOM 760 O GLU A 45 2.791 -9.026 -1.704 1.00 0.00 O ATOM 761 CB GLU A 45 5.174 -11.256 -2.628 1.00 0.00 C ATOM 762 CG GLU A 45 5.144 -11.500 -1.106 1.00 0.00 C ATOM 763 CD GLU A 45 6.053 -12.656 -0.664 1.00 0.00 C ATOM 764 OE1 GLU A 45 6.472 -13.467 -1.514 1.00 0.00 O ATOM 765 OE2 GLU A 45 6.467 -12.698 0.526 1.00 0.00 O ATOM 0 H GLU A 45 4.944 -8.400 -1.729 1.00 0.00 H new ATOM 0 HA GLU A 45 4.559 -9.958 -4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.656 -12.078 -3.122 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.210 -11.284 -2.964 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.449 -10.589 -0.592 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.120 -11.712 -0.798 1.00 0.00 H new ATOM 772 N GLY A 46 2.175 -10.442 -3.360 1.00 0.00 N ATOM 773 CA GLY A 46 0.731 -10.477 -3.108 1.00 0.00 C ATOM 774 C GLY A 46 -0.086 -9.583 -4.038 1.00 0.00 C ATOM 775 O GLY A 46 0.461 -8.859 -4.881 1.00 0.00 O ATOM 0 H GLY A 46 2.440 -11.016 -4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.380 -11.504 -3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.546 -10.176 -2.077 1.00 0.00 H new ATOM 779 N LYS A 47 -1.419 -9.642 -3.864 1.00 0.00 N ATOM 780 CA LYS A 47 -2.392 -8.943 -4.709 1.00 0.00 C ATOM 781 C LYS A 47 -3.532 -8.395 -3.852 1.00 0.00 C ATOM 782 O LYS A 47 -3.821 -8.844 -2.761 1.00 0.00 O ATOM 783 CB LYS A 47 -2.973 -9.891 -5.783 1.00 0.00 C ATOM 784 CG LYS A 47 -2.713 -9.519 -7.246 1.00 0.00 C ATOM 785 CD LYS A 47 -3.154 -8.139 -7.726 1.00 0.00 C ATOM 786 CE LYS A 47 -4.677 -7.929 -7.800 1.00 0.00 C ATOM 787 NZ LYS A 47 -5.312 -8.653 -8.922 1.00 0.00 N ATOM 0 H LYS A 47 -1.853 -10.187 -3.119 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.877 -8.121 -5.206 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.570 -10.889 -5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.051 -9.952 -5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.642 -9.609 -7.428 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.206 -10.263 -7.872 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.731 -7.387 -7.059 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.730 -7.963 -8.715 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.128 -8.256 -6.863 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.886 -6.864 -7.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.336 -8.471 -8.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.906 -8.324 -9.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.141 -9.674 -8.818 1.00 0.00 H new ATOM 801 N VAL A 48 -4.150 -7.354 -4.363 1.00 0.00 N ATOM 802 CA VAL A 48 -4.993 -6.352 -3.816 1.00 0.00 C ATOM 803 C VAL A 48 -5.758 -5.746 -4.921 1.00 0.00 C ATOM 804 O VAL A 48 -5.320 -5.741 -6.073 1.00 0.00 O ATOM 805 CB VAL A 48 -4.174 -5.408 -2.935 1.00 0.00 C ATOM 806 CG1 VAL A 48 -2.807 -5.206 -3.497 1.00 0.00 C ATOM 807 CG2 VAL A 48 -4.961 -4.125 -2.584 1.00 0.00 C ATOM 0 H VAL A 48 -4.037 -7.177 -5.361 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.742 -6.748 -3.130 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.002 -5.874 -1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.245 -4.531 -2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.292 -6.165 -3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.884 -4.774 -4.495 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.345 -3.480 -1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.223 -3.597 -3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.871 -4.392 -2.046 1.00 0.00 H new ATOM 817 N GLU A 49 -6.942 -5.306 -4.544 1.00 0.00 N ATOM 818 CA GLU A 49 -7.602 -4.244 -5.205 1.00 0.00 C ATOM 819 C GLU A 49 -8.127 -3.362 -4.069 1.00 0.00 C ATOM 820 O GLU A 49 -8.953 -3.808 -3.277 1.00 0.00 O ATOM 821 CB GLU A 49 -8.734 -4.817 -6.064 1.00 0.00 C ATOM 822 CG GLU A 49 -8.331 -5.179 -7.497 1.00 0.00 C ATOM 823 CD GLU A 49 -9.452 -5.892 -8.244 1.00 0.00 C ATOM 824 OE1 GLU A 49 -9.815 -7.062 -7.973 1.00 0.00 O ATOM 825 OE2 GLU A 49 -10.132 -5.225 -9.041 1.00 0.00 O ATOM 0 H GLU A 49 -7.463 -5.694 -3.758 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.963 -3.674 -5.879 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.127 -5.709 -5.575 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.546 -4.091 -6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.056 -4.272 -8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.448 -5.817 -7.475 1.00 0.00 H new ATOM 832 N VAL A 50 -7.652 -2.123 -3.938 1.00 0.00 N ATOM 833 CA VAL A 50 -8.185 -1.123 -3.001 1.00 0.00 C ATOM 834 C VAL A 50 -9.268 -0.363 -3.706 1.00 0.00 C ATOM 835 O VAL A 50 -9.000 0.244 -4.733 1.00 0.00 O ATOM 836 CB VAL A 50 -7.066 -0.191 -2.475 1.00 0.00 C ATOM 837 CG1 VAL A 50 -7.547 1.121 -1.827 1.00 0.00 C ATOM 838 CG2 VAL A 50 -6.298 -0.960 -1.403 1.00 0.00 C ATOM 0 H VAL A 50 -6.869 -1.775 -4.491 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.601 -1.614 -2.121 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.475 0.091 -3.346 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.685 1.699 -1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.113 1.701 -2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.184 0.893 -0.972 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.499 -0.333 -1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.977 -1.235 -0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.869 -1.862 -1.839 1.00 0.00 H new ATOM 848 N THR A 51 -10.472 -0.380 -3.152 1.00 0.00 N ATOM 849 CA THR A 51 -11.593 0.310 -3.745 1.00 0.00 C ATOM 850 C THR A 51 -11.953 1.475 -2.836 1.00 0.00 C ATOM 851 O THR A 51 -12.194 1.301 -1.635 1.00 0.00 O ATOM 852 CB THR A 51 -12.756 -0.660 -3.948 1.00 0.00 C ATOM 853 OG1 THR A 51 -12.294 -1.889 -4.475 1.00 0.00 O ATOM 854 CG2 THR A 51 -13.789 -0.040 -4.906 1.00 0.00 C ATOM 0 H THR A 51 -10.692 -0.871 -2.285 1.00 0.00 H new ATOM 0 HA THR A 51 -11.344 0.701 -4.732 1.00 0.00 H new ATOM 0 HB THR A 51 -13.223 -0.849 -2.982 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.958 -2.589 -4.304 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.617 -0.735 -5.048 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.166 0.891 -4.482 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.317 0.164 -5.867 1.00 0.00 H new ATOM 862 N THR A 52 -11.938 2.674 -3.394 1.00 0.00 N ATOM 863 CA THR A 52 -12.282 3.881 -2.672 1.00 0.00 C ATOM 864 C THR A 52 -13.800 3.933 -2.464 1.00 0.00 C ATOM 865 O THR A 52 -14.515 3.013 -2.872 1.00 0.00 O ATOM 866 CB THR A 52 -11.704 5.072 -3.437 1.00 0.00 C ATOM 867 OG1 THR A 52 -12.243 5.153 -4.741 1.00 0.00 O ATOM 868 CG2 THR A 52 -10.184 4.945 -3.577 1.00 0.00 C ATOM 0 H THR A 52 -11.684 2.835 -4.369 1.00 0.00 H new ATOM 0 HA THR A 52 -11.848 3.905 -1.672 1.00 0.00 H new ATOM 0 HB THR A 52 -11.962 5.965 -2.867 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.822 5.895 -5.223 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.796 5.804 -4.125 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.729 4.910 -2.587 1.00 0.00 H new ATOM 0 HG23 THR A 52 -9.944 4.030 -4.119 1.00 0.00 H new ATOM 876 N GLU A 53 -14.338 4.955 -1.789 1.00 0.00 N ATOM 877 CA GLU A 53 -15.788 5.143 -1.806 1.00 0.00 C ATOM 878 C GLU A 53 -16.280 5.643 -3.173 1.00 0.00 C ATOM 879 O GLU A 53 -17.425 5.410 -3.566 1.00 0.00 O ATOM 880 CB GLU A 53 -16.234 6.086 -0.696 1.00 0.00 C ATOM 881 CG GLU A 53 -15.542 7.447 -0.627 1.00 0.00 C ATOM 882 CD GLU A 53 -16.327 8.428 0.247 1.00 0.00 C ATOM 883 OE1 GLU A 53 -16.845 8.026 1.321 1.00 0.00 O ATOM 884 OE2 GLU A 53 -16.486 9.595 -0.165 1.00 0.00 O ATOM 0 H GLU A 53 -13.813 5.639 -1.244 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.241 4.168 -1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -17.305 6.255 -0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -16.086 5.581 0.259 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.536 7.325 -0.227 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.438 7.856 -1.632 1.00 0.00 H new ATOM 891 N ASP A 54 -15.388 6.285 -3.929 1.00 0.00 N ATOM 892 CA ASP A 54 -15.649 6.802 -5.267 1.00 0.00 C ATOM 893 C ASP A 54 -15.879 5.666 -6.280 1.00 0.00 C ATOM 894 O ASP A 54 -16.258 5.915 -7.427 1.00 0.00 O ATOM 895 CB ASP A 54 -14.466 7.688 -5.688 1.00 0.00 C ATOM 896 CG ASP A 54 -14.519 9.095 -5.081 1.00 0.00 C ATOM 897 OD1 ASP A 54 -14.149 9.249 -3.888 1.00 0.00 O ATOM 898 OD2 ASP A 54 -14.819 10.037 -5.856 1.00 0.00 O ATOM 0 H ASP A 54 -14.434 6.463 -3.614 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.565 7.393 -5.251 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.535 7.206 -5.390 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.450 7.769 -6.775 1.00 0.00 H new ATOM 903 N GLY A 55 -15.657 4.409 -5.880 1.00 0.00 N ATOM 904 CA GLY A 55 -15.847 3.204 -6.678 1.00 0.00 C ATOM 905 C GLY A 55 -14.611 2.826 -7.488 1.00 0.00 C ATOM 906 O GLY A 55 -14.543 1.701 -7.989 1.00 0.00 O ATOM 0 H GLY A 55 -15.322 4.200 -4.940 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.110 2.376 -6.020 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.688 3.352 -7.356 1.00 0.00 H new ATOM 910 N LYS A 56 -13.645 3.744 -7.600 1.00 0.00 N ATOM 911 CA LYS A 56 -12.377 3.561 -8.299 1.00 0.00 C ATOM 912 C LYS A 56 -11.635 2.422 -7.613 1.00 0.00 C ATOM 913 O LYS A 56 -11.625 2.353 -6.378 1.00 0.00 O ATOM 914 CB LYS A 56 -11.542 4.852 -8.232 1.00 0.00 C ATOM 915 CG LYS A 56 -12.230 6.077 -8.854 1.00 0.00 C ATOM 916 CD LYS A 56 -11.940 6.211 -10.354 1.00 0.00 C ATOM 917 CE LYS A 56 -12.761 7.332 -11.008 1.00 0.00 C ATOM 918 NZ LYS A 56 -12.613 8.625 -10.299 1.00 0.00 N ATOM 0 H LYS A 56 -13.733 4.673 -7.187 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.551 3.328 -9.349 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.311 5.069 -7.189 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.593 4.685 -8.741 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.307 6.003 -8.700 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.896 6.978 -8.340 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.878 6.409 -10.500 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.160 5.266 -10.850 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.448 7.451 -12.045 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.813 7.047 -11.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.073 9.378 -10.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.059 8.560 -9.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.603 8.846 -10.187 1.00 0.00 H new ATOM 932 N LYS A 57 -11.032 1.529 -8.395 1.00 0.00 N ATOM 933 CA LYS A 57 -10.421 0.303 -7.897 1.00 0.00 C ATOM 934 C LYS A 57 -8.953 0.312 -8.267 1.00 0.00 C ATOM 935 O LYS A 57 -8.593 0.577 -9.412 1.00 0.00 O ATOM 936 CB LYS A 57 -11.137 -0.902 -8.510 1.00 0.00 C ATOM 937 CG LYS A 57 -11.149 -2.168 -7.642 1.00 0.00 C ATOM 938 CD LYS A 57 -12.578 -2.732 -7.529 1.00 0.00 C ATOM 939 CE LYS A 57 -12.622 -3.996 -6.664 1.00 0.00 C ATOM 940 NZ LYS A 57 -12.426 -5.228 -7.451 1.00 0.00 N ATOM 0 H LYS A 57 -10.954 1.640 -9.406 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.512 0.238 -6.813 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.167 -0.620 -8.727 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.664 -1.139 -9.463 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.489 -2.919 -8.075 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.763 -1.939 -6.649 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.235 -1.975 -7.101 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.959 -2.959 -8.525 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.851 -3.933 -5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.582 -4.047 -6.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.032 -5.971 -6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.340 -5.544 -7.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.768 -5.039 -8.234 1.00 0.00 H new ATOM 954 N TYR A 58 -8.108 0.042 -7.286 1.00 0.00 N ATOM 955 CA TYR A 58 -6.666 0.185 -7.297 1.00 0.00 C ATOM 956 C TYR A 58 -6.031 -1.133 -6.837 1.00 0.00 C ATOM 957 O TYR A 58 -5.680 -1.396 -5.689 1.00 0.00 O ATOM 958 CB TYR A 58 -6.244 1.350 -6.383 1.00 0.00 C ATOM 959 CG TYR A 58 -6.837 2.735 -6.594 1.00 0.00 C ATOM 960 CD1 TYR A 58 -7.327 3.150 -7.842 1.00 0.00 C ATOM 961 CD2 TYR A 58 -6.860 3.642 -5.517 1.00 0.00 C ATOM 962 CE1 TYR A 58 -7.832 4.451 -8.021 1.00 0.00 C ATOM 963 CE2 TYR A 58 -7.355 4.950 -5.682 1.00 0.00 C ATOM 964 CZ TYR A 58 -7.848 5.362 -6.940 1.00 0.00 C ATOM 965 OH TYR A 58 -8.343 6.618 -7.110 1.00 0.00 O ATOM 0 H TYR A 58 -8.443 -0.311 -6.390 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.322 0.411 -8.306 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.467 1.055 -5.358 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.161 1.446 -6.459 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.316 2.463 -8.675 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.493 3.330 -4.551 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.208 4.754 -8.987 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -7.358 5.637 -4.848 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.279 7.112 -6.266 1.00 0.00 H new ATOM 975 N VAL A 59 -5.883 -2.001 -7.794 1.00 0.00 N ATOM 976 CA VAL A 59 -4.890 -3.052 -7.883 1.00 0.00 C ATOM 977 C VAL A 59 -3.479 -2.531 -7.739 1.00 0.00 C ATOM 978 O VAL A 59 -2.851 -2.025 -8.688 1.00 0.00 O ATOM 979 CB VAL A 59 -5.181 -3.909 -9.112 1.00 0.00 C ATOM 980 CG1 VAL A 59 -5.554 -3.099 -10.340 1.00 0.00 C ATOM 981 CG2 VAL A 59 -4.093 -4.951 -9.423 1.00 0.00 C ATOM 0 H VAL A 59 -6.502 -1.999 -8.605 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.966 -3.723 -7.028 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.068 -4.477 -8.832 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.747 -3.772 -11.175 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.449 -2.513 -10.131 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.734 -2.429 -10.597 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.375 -5.518 -10.310 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.145 -4.444 -9.603 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.987 -5.630 -8.577 1.00 0.00 H new ATOM 991 N ILE A 60 -3.014 -2.671 -6.519 1.00 0.00 N ATOM 992 CA ILE A 60 -1.618 -2.735 -6.280 1.00 0.00 C ATOM 993 C ILE A 60 -1.109 -4.171 -6.577 1.00 0.00 C ATOM 994 O ILE A 60 -1.868 -5.141 -6.511 1.00 0.00 O ATOM 995 CB ILE A 60 -1.409 -2.224 -4.845 1.00 0.00 C ATOM 996 CG1 ILE A 60 -2.640 -2.271 -3.909 1.00 0.00 C ATOM 997 CG2 ILE A 60 -0.648 -0.961 -4.607 1.00 0.00 C ATOM 998 CD1 ILE A 60 -3.393 -0.977 -3.644 1.00 0.00 C ATOM 0 H ILE A 60 -3.596 -2.742 -5.684 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.020 -2.106 -6.939 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.715 -3.018 -4.567 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.347 -2.988 -4.326 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.312 -2.668 -2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.603 -0.760 -3.537 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.363 -1.066 -4.999 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.148 -0.134 -5.111 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.228 -1.173 -2.971 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.720 -0.252 -3.186 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.771 -0.577 -4.585 1.00 0.00 H new ATOM 1010 N GLU A 61 0.171 -4.350 -6.877 1.00 0.00 N ATOM 1011 CA GLU A 61 0.807 -5.644 -6.995 1.00 0.00 C ATOM 1012 C GLU A 61 2.298 -5.406 -6.788 1.00 0.00 C ATOM 1013 O GLU A 61 2.686 -4.300 -6.404 1.00 0.00 O ATOM 1014 CB GLU A 61 0.418 -6.364 -8.289 1.00 0.00 C ATOM 1015 CG GLU A 61 0.610 -5.589 -9.611 1.00 0.00 C ATOM 1016 CD GLU A 61 -0.204 -6.199 -10.750 1.00 0.00 C ATOM 1017 OE1 GLU A 61 -0.469 -7.419 -10.729 1.00 0.00 O ATOM 1018 OE2 GLU A 61 -0.592 -5.452 -11.690 1.00 0.00 O ATOM 0 H GLU A 61 0.809 -3.573 -7.049 1.00 0.00 H new ATOM 0 HA GLU A 61 0.463 -6.346 -6.236 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.997 -7.286 -8.350 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.631 -6.651 -8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.314 -4.550 -9.469 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.666 -5.586 -9.880 1.00 0.00 H new ATOM 1025 N LYS A 62 3.096 -6.472 -6.857 1.00 0.00 N ATOM 1026 CA LYS A 62 4.538 -6.485 -6.615 1.00 0.00 C ATOM 1027 C LYS A 62 5.239 -5.656 -7.691 1.00 0.00 C ATOM 1028 O LYS A 62 5.683 -6.190 -8.710 1.00 0.00 O ATOM 1029 CB LYS A 62 5.037 -7.934 -6.523 1.00 0.00 C ATOM 1030 CG LYS A 62 4.750 -8.786 -7.766 1.00 0.00 C ATOM 1031 CD LYS A 62 3.970 -10.093 -7.530 1.00 0.00 C ATOM 1032 CE LYS A 62 3.060 -10.365 -8.737 1.00 0.00 C ATOM 1033 NZ LYS A 62 2.536 -11.747 -8.806 1.00 0.00 N ATOM 0 H LYS A 62 2.735 -7.396 -7.095 1.00 0.00 H new ATOM 0 HA LYS A 62 4.777 -6.021 -5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.112 -7.924 -6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.575 -8.410 -5.658 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.191 -8.177 -8.477 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.701 -9.035 -8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.662 -10.923 -7.388 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.374 -10.015 -6.621 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.220 -9.671 -8.707 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.615 -10.154 -9.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.933 -11.848 -9.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.330 -12.417 -8.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.977 -11.949 -7.953 1.00 0.00 H new ATOM 1047 N GLY A 63 5.260 -4.348 -7.489 1.00 0.00 N ATOM 1048 CA GLY A 63 5.645 -3.418 -8.550 1.00 0.00 C ATOM 1049 C GLY A 63 5.193 -1.975 -8.359 1.00 0.00 C ATOM 1050 O GLY A 63 5.720 -1.105 -9.055 1.00 0.00 O ATOM 0 H GLY A 63 5.016 -3.903 -6.604 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.731 -3.430 -8.642 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.241 -3.784 -9.494 1.00 0.00 H new ATOM 1054 N ASP A 64 4.294 -1.694 -7.412 1.00 0.00 N ATOM 1055 CA ASP A 64 3.581 -0.419 -7.333 1.00 0.00 C ATOM 1056 C ASP A 64 3.759 0.168 -5.939 1.00 0.00 C ATOM 1057 O ASP A 64 3.222 -0.392 -4.983 1.00 0.00 O ATOM 1058 CB ASP A 64 2.099 -0.680 -7.609 1.00 0.00 C ATOM 1059 CG ASP A 64 1.872 -1.265 -9.031 1.00 0.00 C ATOM 1060 OD1 ASP A 64 1.878 -2.505 -9.162 1.00 0.00 O ATOM 1061 OD2 ASP A 64 1.615 -0.505 -9.995 1.00 0.00 O ATOM 0 H ASP A 64 4.040 -2.350 -6.674 1.00 0.00 H new ATOM 0 HA ASP A 64 3.973 0.287 -8.065 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.707 -1.372 -6.864 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.540 0.250 -7.505 1.00 0.00 H new ATOM 1066 N LEU A 65 4.592 1.196 -5.757 1.00 0.00 N ATOM 1067 CA LEU A 65 4.684 1.905 -4.482 1.00 0.00 C ATOM 1068 C LEU A 65 3.346 2.600 -4.265 1.00 0.00 C ATOM 1069 O LEU A 65 2.709 3.012 -5.236 1.00 0.00 O ATOM 1070 CB LEU A 65 5.811 2.947 -4.568 1.00 0.00 C ATOM 1071 CG LEU A 65 5.955 3.863 -3.334 1.00 0.00 C ATOM 1072 CD1 LEU A 65 6.631 3.121 -2.176 1.00 0.00 C ATOM 1073 CD2 LEU A 65 6.763 5.115 -3.666 1.00 0.00 C ATOM 0 H LEU A 65 5.214 1.556 -6.481 1.00 0.00 H new ATOM 0 HA LEU A 65 4.902 1.225 -3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.755 2.425 -4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.641 3.571 -5.446 1.00 0.00 H new ATOM 0 HG LEU A 65 4.949 4.158 -3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.720 3.789 -1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.031 2.254 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.623 2.792 -2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.847 5.740 -2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.759 4.827 -4.002 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.261 5.673 -4.456 1.00 0.00 H new ATOM 1085 N VAL A 66 2.949 2.788 -3.006 1.00 0.00 N ATOM 1086 CA VAL A 66 1.824 3.646 -2.672 1.00 0.00 C ATOM 1087 C VAL A 66 2.249 4.637 -1.588 1.00 0.00 C ATOM 1088 O VAL A 66 3.202 4.412 -0.835 1.00 0.00 O ATOM 1089 CB VAL A 66 0.597 2.780 -2.314 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.687 3.587 -2.052 1.00 0.00 C ATOM 1091 CG2 VAL A 66 0.292 1.786 -3.452 1.00 0.00 C ATOM 0 H VAL A 66 3.397 2.352 -2.200 1.00 0.00 H new ATOM 0 HA VAL A 66 1.515 4.250 -3.525 1.00 0.00 H new ATOM 0 HB VAL A 66 0.871 2.271 -1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.502 2.905 -1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.523 4.271 -1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.947 4.157 -2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.576 1.182 -3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.083 2.336 -4.369 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.153 1.135 -3.607 1.00 0.00 H new ATOM 1101 N THR A 67 1.543 5.764 -1.507 1.00 0.00 N ATOM 1102 CA THR A 67 1.525 6.666 -0.366 1.00 0.00 C ATOM 1103 C THR A 67 0.118 7.235 -0.235 1.00 0.00 C ATOM 1104 O THR A 67 -0.320 8.002 -1.094 1.00 0.00 O ATOM 1105 CB THR A 67 2.587 7.760 -0.519 1.00 0.00 C ATOM 1106 OG1 THR A 67 3.861 7.129 -0.535 1.00 0.00 O ATOM 1107 CG2 THR A 67 2.549 8.726 0.683 1.00 0.00 C ATOM 0 H THR A 67 0.944 6.083 -2.269 1.00 0.00 H new ATOM 0 HA THR A 67 1.775 6.130 0.550 1.00 0.00 H new ATOM 0 HB THR A 67 2.399 8.321 -1.435 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.241 7.136 0.368 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.310 9.495 0.556 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.566 9.194 0.743 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.743 8.172 1.601 1.00 0.00 H new ATOM 1115 N PHE A 68 -0.596 6.853 0.823 1.00 0.00 N ATOM 1116 CA PHE A 68 -1.870 7.467 1.187 1.00 0.00 C ATOM 1117 C PHE A 68 -1.590 8.797 1.883 1.00 0.00 C ATOM 1118 O PHE A 68 -0.506 8.967 2.448 1.00 0.00 O ATOM 1119 CB PHE A 68 -2.628 6.540 2.141 1.00 0.00 C ATOM 1120 CG PHE A 68 -2.853 5.175 1.540 1.00 0.00 C ATOM 1121 CD1 PHE A 68 -3.808 5.007 0.527 1.00 0.00 C ATOM 1122 CD2 PHE A 68 -2.051 4.090 1.927 1.00 0.00 C ATOM 1123 CE1 PHE A 68 -3.981 3.755 -0.078 1.00 0.00 C ATOM 1124 CE2 PHE A 68 -2.196 2.847 1.286 1.00 0.00 C ATOM 1125 CZ PHE A 68 -3.169 2.677 0.292 1.00 0.00 C ATOM 0 H PHE A 68 -0.305 6.106 1.454 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.473 7.634 0.295 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.068 6.439 3.071 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.589 6.988 2.395 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.412 5.845 0.212 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.323 4.210 2.716 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -4.743 3.622 -0.832 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.556 2.021 1.560 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.292 1.717 -0.187 1.00 0.00 H new ATOM 1135 N PRO A 69 -2.531 9.750 1.871 1.00 0.00 N ATOM 1136 CA PRO A 69 -2.389 10.961 2.654 1.00 0.00 C ATOM 1137 C PRO A 69 -2.784 10.704 4.103 1.00 0.00 C ATOM 1138 O PRO A 69 -3.309 9.657 4.478 1.00 0.00 O ATOM 1139 CB PRO A 69 -3.354 11.957 2.017 1.00 0.00 C ATOM 1140 CG PRO A 69 -4.508 11.034 1.667 1.00 0.00 C ATOM 1141 CD PRO A 69 -3.801 9.773 1.158 1.00 0.00 C ATOM 0 HA PRO A 69 -1.362 11.326 2.661 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -3.649 12.748 2.707 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.929 12.442 1.138 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.133 10.823 2.535 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.155 11.469 0.905 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.388 8.878 1.365 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.649 9.812 0.079 1.00 0.00 H new ATOM 1149 N LYS A 70 -2.630 11.766 4.875 1.00 0.00 N ATOM 1150 CA LYS A 70 -3.212 11.933 6.187 1.00 0.00 C ATOM 1151 C LYS A 70 -4.700 12.236 5.996 1.00 0.00 C ATOM 1152 O LYS A 70 -5.062 13.399 5.784 1.00 0.00 O ATOM 1153 CB LYS A 70 -2.409 13.048 6.873 1.00 0.00 C ATOM 1154 CG LYS A 70 -2.868 13.336 8.293 1.00 0.00 C ATOM 1155 CD LYS A 70 -1.857 14.176 9.065 1.00 0.00 C ATOM 1156 CE LYS A 70 -2.432 14.504 10.450 1.00 0.00 C ATOM 1157 NZ LYS A 70 -2.055 15.860 10.891 1.00 0.00 N ATOM 0 H LYS A 70 -2.070 12.569 4.587 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.161 11.051 6.826 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.355 12.770 6.889 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.489 13.960 6.281 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.825 13.857 8.265 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.032 12.395 8.818 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.917 13.634 9.167 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.638 15.095 8.521 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.518 14.419 10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.074 13.773 11.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.462 16.045 11.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.019 15.933 10.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.418 16.559 10.212 1.00 0.00 H new ATOM 1171 N GLY A 71 -5.538 11.199 5.989 1.00 0.00 N ATOM 1172 CA GLY A 71 -6.988 11.305 5.946 1.00 0.00 C ATOM 1173 C GLY A 71 -7.553 10.701 4.666 1.00 0.00 C ATOM 1174 O GLY A 71 -7.676 11.410 3.664 1.00 0.00 O ATOM 0 H GLY A 71 -5.211 10.233 6.014 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.417 10.797 6.810 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.280 12.353 6.015 1.00 0.00 H new ATOM 1178 N LEU A 72 -7.892 9.406 4.685 1.00 0.00 N ATOM 1179 CA LEU A 72 -8.570 8.686 3.600 1.00 0.00 C ATOM 1180 C LEU A 72 -9.327 7.472 4.164 1.00 0.00 C ATOM 1181 O LEU A 72 -8.854 6.861 5.118 1.00 0.00 O ATOM 1182 CB LEU A 72 -7.512 8.216 2.584 1.00 0.00 C ATOM 1183 CG LEU A 72 -8.055 7.269 1.495 1.00 0.00 C ATOM 1184 CD1 LEU A 72 -9.079 7.942 0.568 1.00 0.00 C ATOM 1185 CD2 LEU A 72 -6.882 6.746 0.679 1.00 0.00 C ATOM 0 H LEU A 72 -7.694 8.808 5.487 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.287 9.346 3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.073 9.090 2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.709 7.711 3.121 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.580 6.454 1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.423 7.224 -0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.928 8.290 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.613 8.790 0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.249 6.074 -0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.359 7.583 0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.196 6.206 1.332 1.00 0.00 H new ATOM 1197 N ARG A 73 -10.431 7.064 3.517 1.00 0.00 N ATOM 1198 CA ARG A 73 -11.245 5.892 3.846 1.00 0.00 C ATOM 1199 C ARG A 73 -11.443 5.049 2.584 1.00 0.00 C ATOM 1200 O ARG A 73 -11.941 5.572 1.587 1.00 0.00 O ATOM 1201 CB ARG A 73 -12.586 6.399 4.399 1.00 0.00 C ATOM 1202 CG ARG A 73 -13.446 5.293 5.019 1.00 0.00 C ATOM 1203 CD ARG A 73 -14.630 5.884 5.791 1.00 0.00 C ATOM 1204 NE ARG A 73 -15.634 6.492 4.899 1.00 0.00 N ATOM 1205 CZ ARG A 73 -16.773 5.932 4.483 1.00 0.00 C ATOM 1206 NH1 ARG A 73 -17.088 4.692 4.843 1.00 0.00 N ATOM 1207 NH2 ARG A 73 -17.612 6.615 3.716 1.00 0.00 N ATOM 0 H ARG A 73 -10.795 7.571 2.710 1.00 0.00 H new ATOM 0 HA ARG A 73 -10.761 5.264 4.594 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.394 7.164 5.151 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.145 6.876 3.594 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.813 4.631 4.235 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.837 4.687 5.689 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.102 5.100 6.384 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -14.265 6.637 6.490 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.439 7.436 4.566 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.458 4.159 5.442 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.960 4.273 4.520 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.389 7.572 3.442 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.481 6.184 3.400 1.00 0.00 H new ATOM 1221 N CYS A 74 -11.061 3.770 2.588 1.00 0.00 N ATOM 1222 CA CYS A 74 -11.226 2.877 1.443 1.00 0.00 C ATOM 1223 C CYS A 74 -11.239 1.407 1.891 1.00 0.00 C ATOM 1224 O CYS A 74 -10.821 1.074 2.999 1.00 0.00 O ATOM 1225 CB CYS A 74 -10.078 3.087 0.448 1.00 0.00 C ATOM 1226 SG CYS A 74 -8.444 3.012 1.261 1.00 0.00 S ATOM 0 H CYS A 74 -10.625 3.323 3.394 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.179 3.110 0.967 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.130 2.327 -0.331 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.195 4.054 -0.042 1.00 0.00 H new ATOM 0 HG CYS A 74 -7.510 3.193 0.375 1.00 0.00 H new ATOM 1232 N ARG A 75 -11.637 0.492 1.006 1.00 0.00 N ATOM 1233 CA ARG A 75 -11.454 -0.940 1.248 1.00 0.00 C ATOM 1234 C ARG A 75 -10.035 -1.396 0.971 1.00 0.00 C ATOM 1235 O ARG A 75 -9.229 -0.657 0.422 1.00 0.00 O ATOM 1236 CB ARG A 75 -12.433 -1.766 0.402 1.00 0.00 C ATOM 1237 CG ARG A 75 -13.590 -2.288 1.264 1.00 0.00 C ATOM 1238 CD ARG A 75 -14.848 -1.497 0.966 1.00 0.00 C ATOM 1239 NE ARG A 75 -14.887 -0.141 1.544 1.00 0.00 N ATOM 1240 CZ ARG A 75 -15.682 0.225 2.561 1.00 0.00 C ATOM 1241 NH1 ARG A 75 -16.113 -0.658 3.469 1.00 0.00 N ATOM 1242 NH2 ARG A 75 -16.081 1.486 2.649 1.00 0.00 N ATOM 0 H ARG A 75 -12.087 0.716 0.118 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.658 -1.104 2.306 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.826 -1.154 -0.410 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.908 -2.604 -0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.758 -3.346 1.062 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.337 -2.202 2.321 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.961 -1.417 -0.115 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.707 -2.057 1.336 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.269 0.565 1.144 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.838 -1.638 3.398 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.717 -0.352 4.232 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.784 2.165 1.948 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.686 1.777 3.417 1.00 0.00 H new ATOM 1256 N TRP A 76 -9.780 -2.655 1.298 1.00 0.00 N ATOM 1257 CA TRP A 76 -8.616 -3.452 0.924 1.00 0.00 C ATOM 1258 C TRP A 76 -9.120 -4.881 0.676 1.00 0.00 C ATOM 1259 O TRP A 76 -9.253 -5.660 1.623 1.00 0.00 O ATOM 1260 CB TRP A 76 -7.493 -3.432 1.982 1.00 0.00 C ATOM 1261 CG TRP A 76 -6.424 -2.394 1.813 1.00 0.00 C ATOM 1262 CD1 TRP A 76 -6.602 -1.068 2.026 1.00 0.00 C ATOM 1263 CD2 TRP A 76 -5.033 -2.557 1.359 1.00 0.00 C ATOM 1264 NE1 TRP A 76 -5.460 -0.394 1.649 1.00 0.00 N ATOM 1265 CE2 TRP A 76 -4.447 -1.255 1.288 1.00 0.00 C ATOM 1266 CE3 TRP A 76 -4.202 -3.630 0.943 1.00 0.00 C ATOM 1267 CZ2 TRP A 76 -3.125 -1.034 0.866 1.00 0.00 C ATOM 1268 CZ3 TRP A 76 -2.887 -3.406 0.511 1.00 0.00 C ATOM 1269 CH2 TRP A 76 -2.327 -2.120 0.477 1.00 0.00 C ATOM 0 H TRP A 76 -10.430 -3.188 1.876 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.160 -3.026 0.030 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -7.951 -3.292 2.961 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -7.017 -4.412 1.990 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -7.495 -0.612 2.427 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -5.375 0.622 1.639 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.590 -4.638 0.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -2.725 -0.031 0.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -2.288 -4.247 0.195 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.306 -1.970 0.159 1.00 0.00 H new ATOM 1280 N LYS A 77 -9.448 -5.249 -0.572 1.00 0.00 N ATOM 1281 CA LYS A 77 -9.736 -6.650 -0.909 1.00 0.00 C ATOM 1282 C LYS A 77 -8.403 -7.370 -1.072 1.00 0.00 C ATOM 1283 O LYS A 77 -7.682 -7.054 -2.023 1.00 0.00 O ATOM 1284 CB LYS A 77 -10.607 -6.741 -2.180 1.00 0.00 C ATOM 1285 CG LYS A 77 -10.839 -8.223 -2.563 1.00 0.00 C ATOM 1286 CD LYS A 77 -12.293 -8.695 -2.550 1.00 0.00 C ATOM 1287 CE LYS A 77 -13.032 -8.459 -3.872 1.00 0.00 C ATOM 1288 NZ LYS A 77 -14.388 -9.057 -3.838 1.00 0.00 N ATOM 0 H LYS A 77 -9.520 -4.602 -1.357 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.310 -7.128 -0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.564 -6.247 -2.010 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.120 -6.217 -3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.432 -8.389 -3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.268 -8.849 -1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.318 -9.759 -2.316 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.825 -8.180 -1.750 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.108 -7.389 -4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.461 -8.891 -4.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.867 -8.883 -4.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.312 -10.082 -3.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.938 -8.626 -3.068 1.00 0.00 H new ATOM 1302 N VAL A 78 -7.971 -8.208 -0.119 1.00 0.00 N ATOM 1303 CA VAL A 78 -6.644 -8.839 -0.163 1.00 0.00 C ATOM 1304 C VAL A 78 -6.806 -10.101 -0.998 1.00 0.00 C ATOM 1305 O VAL A 78 -7.103 -11.185 -0.513 1.00 0.00 O ATOM 1306 CB VAL A 78 -6.096 -9.143 1.255 1.00 0.00 C ATOM 1307 CG1 VAL A 78 -4.589 -9.403 1.203 1.00 0.00 C ATOM 1308 CG2 VAL A 78 -6.325 -7.998 2.256 1.00 0.00 C ATOM 0 H VAL A 78 -8.526 -8.466 0.697 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.908 -8.170 -0.608 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.646 -10.021 1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.221 -9.615 2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.389 -10.257 0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.081 -8.523 0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.917 -8.277 3.228 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.826 -7.097 1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.394 -7.807 2.352 1.00 0.00 H new ATOM 1318 N LEU A 79 -6.666 -9.934 -2.304 1.00 0.00 N ATOM 1319 CA LEU A 79 -6.816 -11.022 -3.241 1.00 0.00 C ATOM 1320 C LEU A 79 -5.720 -12.073 -3.022 1.00 0.00 C ATOM 1321 O LEU A 79 -6.000 -13.252 -3.222 1.00 0.00 O ATOM 1322 CB LEU A 79 -6.816 -10.463 -4.669 1.00 0.00 C ATOM 1323 CG LEU A 79 -8.037 -9.603 -5.062 1.00 0.00 C ATOM 1324 CD1 LEU A 79 -7.813 -8.975 -6.435 1.00 0.00 C ATOM 1325 CD2 LEU A 79 -9.340 -10.418 -5.042 1.00 0.00 C ATOM 0 H LEU A 79 -6.445 -9.038 -2.738 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.769 -11.526 -3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.916 -9.862 -4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.747 -11.299 -5.365 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.142 -8.811 -4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.679 -8.370 -6.704 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.925 -8.344 -6.406 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.675 -9.762 -7.177 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.175 -9.776 -5.324 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.263 -11.245 -5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.508 -10.812 -4.039 1.00 0.00 H new ATOM 1337 N GLU A 80 -4.524 -11.691 -2.551 1.00 0.00 N ATOM 1338 CA GLU A 80 -3.503 -12.627 -2.075 1.00 0.00 C ATOM 1339 C GLU A 80 -2.769 -12.045 -0.866 1.00 0.00 C ATOM 1340 O GLU A 80 -2.679 -10.820 -0.772 1.00 0.00 O ATOM 1341 CB GLU A 80 -2.457 -12.917 -3.169 1.00 0.00 C ATOM 1342 CG GLU A 80 -2.778 -14.118 -4.052 1.00 0.00 C ATOM 1343 CD GLU A 80 -1.493 -14.785 -4.539 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -0.812 -14.183 -5.409 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -1.201 -15.918 -4.085 1.00 0.00 O ATOM 0 H GLU A 80 -4.239 -10.714 -2.491 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.015 -13.550 -1.804 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.357 -12.034 -3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.490 -13.080 -2.694 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.378 -14.837 -3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.375 -13.799 -4.906 1.00 0.00 H new ATOM 1352 N PRO A 81 -2.197 -12.897 0.009 1.00 0.00 N ATOM 1353 CA PRO A 81 -1.668 -12.525 1.321 1.00 0.00 C ATOM 1354 C PRO A 81 -0.415 -11.648 1.201 1.00 0.00 C ATOM 1355 O PRO A 81 0.723 -12.121 1.197 1.00 0.00 O ATOM 1356 CB PRO A 81 -1.417 -13.844 2.056 1.00 0.00 C ATOM 1357 CG PRO A 81 -1.200 -14.852 0.937 1.00 0.00 C ATOM 1358 CD PRO A 81 -2.040 -14.332 -0.216 1.00 0.00 C ATOM 0 HA PRO A 81 -2.370 -11.908 1.882 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.546 -13.778 2.709 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.265 -14.120 2.683 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.147 -14.918 0.662 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.515 -15.851 1.237 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.552 -14.525 -1.171 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.009 -14.830 -0.247 1.00 0.00 H new ATOM 1366 N VAL A 82 -0.656 -10.350 1.055 1.00 0.00 N ATOM 1367 CA VAL A 82 0.313 -9.377 0.586 1.00 0.00 C ATOM 1368 C VAL A 82 1.313 -9.077 1.691 1.00 0.00 C ATOM 1369 O VAL A 82 0.930 -8.888 2.846 1.00 0.00 O ATOM 1370 CB VAL A 82 -0.455 -8.145 0.058 1.00 0.00 C ATOM 1371 CG1 VAL A 82 -1.164 -7.351 1.166 1.00 0.00 C ATOM 1372 CG2 VAL A 82 0.412 -7.177 -0.748 1.00 0.00 C ATOM 0 H VAL A 82 -1.564 -9.936 1.268 1.00 0.00 H new ATOM 0 HA VAL A 82 0.908 -9.757 -0.245 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.201 -8.581 -0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.684 -6.499 0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.884 -7.995 1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.428 -6.995 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.197 -6.338 -1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.224 -6.808 -0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.827 -7.694 -1.613 1.00 0.00 H new ATOM 1382 N ARG A 83 2.590 -8.990 1.332 1.00 0.00 N ATOM 1383 CA ARG A 83 3.674 -8.670 2.243 1.00 0.00 C ATOM 1384 C ARG A 83 4.227 -7.352 1.714 1.00 0.00 C ATOM 1385 O ARG A 83 4.765 -7.270 0.609 1.00 0.00 O ATOM 1386 CB ARG A 83 4.672 -9.848 2.311 1.00 0.00 C ATOM 1387 CG ARG A 83 5.340 -10.006 3.691 1.00 0.00 C ATOM 1388 CD ARG A 83 5.751 -11.465 3.914 1.00 0.00 C ATOM 1389 NE ARG A 83 6.539 -11.655 5.149 1.00 0.00 N ATOM 1390 CZ ARG A 83 6.554 -12.785 5.874 1.00 0.00 C ATOM 1391 NH1 ARG A 83 5.838 -13.841 5.504 1.00 0.00 N ATOM 1392 NH2 ARG A 83 7.315 -12.870 6.961 1.00 0.00 N ATOM 0 H ARG A 83 2.903 -9.145 0.374 1.00 0.00 H new ATOM 0 HA ARG A 83 3.381 -8.538 3.285 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.150 -10.772 2.060 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.445 -9.704 1.556 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.215 -9.360 3.756 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.652 -9.690 4.475 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.857 -12.087 3.960 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.335 -11.808 3.060 1.00 0.00 H new ATOM 0 HE ARG A 83 7.111 -10.875 5.473 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.267 -13.800 4.660 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.859 -14.693 6.064 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.889 -12.076 7.245 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.325 -13.729 7.511 1.00 0.00 H new ATOM 1406 N LYS A 84 3.946 -6.266 2.426 1.00 0.00 N ATOM 1407 CA LYS A 84 4.423 -4.935 2.076 1.00 0.00 C ATOM 1408 C LYS A 84 5.159 -4.367 3.280 1.00 0.00 C ATOM 1409 O LYS A 84 4.769 -4.598 4.427 1.00 0.00 O ATOM 1410 CB LYS A 84 3.250 -4.067 1.567 1.00 0.00 C ATOM 1411 CG LYS A 84 2.447 -3.179 2.545 1.00 0.00 C ATOM 1412 CD LYS A 84 1.671 -3.898 3.652 1.00 0.00 C ATOM 1413 CE LYS A 84 0.414 -3.126 4.082 1.00 0.00 C ATOM 1414 NZ LYS A 84 -0.757 -3.336 3.206 1.00 0.00 N ATOM 0 H LYS A 84 3.375 -6.286 3.271 1.00 0.00 H new ATOM 0 HA LYS A 84 5.133 -4.960 1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.647 -3.413 0.791 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.539 -4.738 1.085 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.138 -2.479 3.014 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.740 -2.587 1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.384 -4.890 3.305 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.321 -4.038 4.516 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.151 -3.420 5.098 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.647 -2.062 4.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.343 -2.477 3.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.435 -3.544 2.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.319 -4.135 3.563 1.00 0.00 H new ATOM 1428 N HIS A 85 6.231 -3.634 3.042 1.00 0.00 N ATOM 1429 CA HIS A 85 6.833 -2.791 4.063 1.00 0.00 C ATOM 1430 C HIS A 85 5.948 -1.550 4.136 1.00 0.00 C ATOM 1431 O HIS A 85 5.558 -1.059 3.071 1.00 0.00 O ATOM 1432 CB HIS A 85 8.269 -2.461 3.637 1.00 0.00 C ATOM 1433 CG HIS A 85 9.223 -3.528 4.102 1.00 0.00 C ATOM 1434 ND1 HIS A 85 9.859 -4.456 3.311 1.00 0.00 N ATOM 1435 CD2 HIS A 85 9.580 -3.769 5.402 1.00 0.00 C ATOM 1436 CE1 HIS A 85 10.579 -5.240 4.123 1.00 0.00 C ATOM 1437 NE2 HIS A 85 10.452 -4.860 5.398 1.00 0.00 N ATOM 0 H HIS A 85 6.708 -3.605 2.141 1.00 0.00 H new ATOM 0 HA HIS A 85 6.894 -3.263 5.044 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.319 -2.370 2.552 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.564 -1.497 4.052 1.00 0.00 H new ATOM 0 HD2 HIS A 85 9.249 -3.218 6.270 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.184 -6.071 3.791 1.00 0.00 H new ATOM 0 HE2 HIS A 85 10.903 -5.284 6.209 1.00 0.00 H new ATOM 1445 N TYR A 86 5.623 -1.056 5.330 1.00 0.00 N ATOM 1446 CA TYR A 86 4.896 0.214 5.498 1.00 0.00 C ATOM 1447 C TYR A 86 5.728 1.121 6.403 1.00 0.00 C ATOM 1448 O TYR A 86 6.595 0.614 7.109 1.00 0.00 O ATOM 1449 CB TYR A 86 3.504 -0.040 6.110 1.00 0.00 C ATOM 1450 CG TYR A 86 3.535 -0.395 7.587 1.00 0.00 C ATOM 1451 CD1 TYR A 86 3.828 -1.707 8.008 1.00 0.00 C ATOM 1452 CD2 TYR A 86 3.337 0.618 8.544 1.00 0.00 C ATOM 1453 CE1 TYR A 86 3.951 -2.005 9.377 1.00 0.00 C ATOM 1454 CE2 TYR A 86 3.489 0.334 9.908 1.00 0.00 C ATOM 1455 CZ TYR A 86 3.817 -0.972 10.330 1.00 0.00 C ATOM 1456 OH TYR A 86 3.976 -1.219 11.656 1.00 0.00 O ATOM 0 H TYR A 86 5.853 -1.519 6.209 1.00 0.00 H new ATOM 0 HA TYR A 86 4.746 0.693 4.530 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.890 0.850 5.973 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.019 -0.848 5.562 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.959 -2.489 7.275 1.00 0.00 H new ATOM 0 HD2 TYR A 86 3.068 1.615 8.227 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.147 -3.018 9.697 1.00 0.00 H new ATOM 0 HE2 TYR A 86 3.355 1.118 10.639 1.00 0.00 H new ATOM 0 HH TYR A 86 3.848 -0.389 12.161 1.00 0.00 H new ATOM 1466 N ASN A 87 5.466 2.428 6.439 1.00 0.00 N ATOM 1467 CA ASN A 87 6.054 3.317 7.441 1.00 0.00 C ATOM 1468 C ASN A 87 5.174 4.556 7.588 1.00 0.00 C ATOM 1469 O ASN A 87 4.698 5.085 6.578 1.00 0.00 O ATOM 1470 CB ASN A 87 7.479 3.714 7.018 1.00 0.00 C ATOM 1471 CG ASN A 87 8.413 3.939 8.204 1.00 0.00 C ATOM 1472 OD1 ASN A 87 8.327 3.268 9.229 1.00 0.00 O ATOM 1473 ND2 ASN A 87 9.349 4.861 8.090 1.00 0.00 N ATOM 0 H ASN A 87 4.845 2.897 5.780 1.00 0.00 H new ATOM 0 HA ASN A 87 6.112 2.804 8.401 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.893 2.934 6.380 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.434 4.624 6.420 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.005 5.019 8.855 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.417 5.416 7.237 1.00 0.00 H new ATOM 1480 N LEU A 88 4.943 4.994 8.830 1.00 0.00 N ATOM 1481 CA LEU A 88 4.108 6.158 9.161 1.00 0.00 C ATOM 1482 C LEU A 88 5.010 7.395 9.299 1.00 0.00 C ATOM 1483 O LEU A 88 6.159 7.240 9.735 1.00 0.00 O ATOM 1484 CB LEU A 88 3.345 5.901 10.480 1.00 0.00 C ATOM 1485 CG LEU A 88 2.462 4.631 10.498 1.00 0.00 C ATOM 1486 CD1 LEU A 88 1.894 4.393 11.908 1.00 0.00 C ATOM 1487 CD2 LEU A 88 1.285 4.725 9.529 1.00 0.00 C ATOM 0 H LEU A 88 5.339 4.540 9.653 1.00 0.00 H new ATOM 0 HA LEU A 88 3.379 6.327 8.369 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.069 5.831 11.291 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.714 6.765 10.689 1.00 0.00 H new ATOM 0 HG LEU A 88 3.106 3.807 10.192 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.275 3.496 11.904 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.715 4.265 12.614 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.290 5.250 12.206 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.697 3.808 9.580 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.658 5.574 9.800 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.659 4.860 8.514 1.00 0.00 H new ATOM 1499 N PHE A 89 4.530 8.592 8.921 1.00 0.00 N ATOM 1500 CA PHE A 89 5.292 9.848 8.922 1.00 0.00 C ATOM 1501 C PHE A 89 4.404 11.052 8.559 1.00 0.00 C ATOM 1502 O PHE A 89 3.179 10.915 8.371 1.00 0.00 O ATOM 1503 CB PHE A 89 6.479 9.767 7.938 1.00 0.00 C ATOM 1504 CG PHE A 89 6.069 9.770 6.477 1.00 0.00 C ATOM 1505 CD1 PHE A 89 5.369 8.678 5.928 1.00 0.00 C ATOM 1506 CD2 PHE A 89 6.327 10.904 5.683 1.00 0.00 C ATOM 1507 CE1 PHE A 89 4.901 8.743 4.609 1.00 0.00 C ATOM 1508 CE2 PHE A 89 5.889 10.947 4.349 1.00 0.00 C ATOM 1509 CZ PHE A 89 5.169 9.867 3.813 1.00 0.00 C ATOM 0 H PHE A 89 3.571 8.714 8.597 1.00 0.00 H new ATOM 0 HA PHE A 89 5.670 9.993 9.934 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.147 10.609 8.119 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.047 8.860 8.144 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.194 7.793 6.522 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.863 11.743 6.101 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.330 7.922 4.202 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.106 11.810 3.736 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.822 9.901 2.791 1.00 0.00 H new