USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 693 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 47 LYS NZ :NH3+ 170:sc= 0.488 (180deg=-0.767) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0.491 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0384 USER MOD Single : A 12 HIS : no HE2:sc= -4.28! C(o=-4.3!,f=-7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -164:sc= -0.35 (180deg=-0.571!) USER MOD Single : A 21 SER OG : rot 68:sc= 0.297 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= 1.66 (180deg=1.34) USER MOD Single : A 32 GLN : amide:sc= 1.27 K(o=1.3,f=-0.057) USER MOD Single : A 33 ASN : amide:sc= 0.72 K(o=0.72,f=-0.66) USER MOD Single : A 44 THR OG1 : rot -101:sc= -0.177 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0.00109 USER MOD Single : A 65 SER OG : rot 83:sc= 1.44 USER MOD Single : A 66 LYS NZ :NH3+ -119:sc= 1.24 (180deg=-0.791) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 7:sc= 1.23 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 154:sc= 1.27 (180deg=1.05) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 3 9.130 0.113 -7.486 1.00 0.00 N ATOM 29 CA LEU A 3 7.742 -0.114 -7.807 1.00 0.00 C ATOM 30 C LEU A 3 7.047 1.156 -7.376 1.00 0.00 C ATOM 31 O LEU A 3 7.128 1.546 -6.206 1.00 0.00 O ATOM 32 CB LEU A 3 7.224 -1.355 -7.063 1.00 0.00 C ATOM 33 CG LEU A 3 7.786 -2.657 -7.693 1.00 0.00 C ATOM 34 CD1 LEU A 3 7.507 -3.890 -6.840 1.00 0.00 C ATOM 35 CD2 LEU A 3 7.247 -2.920 -9.108 1.00 0.00 C ATOM 0 HA LEU A 3 7.566 -0.317 -8.863 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.513 -1.301 -6.013 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.135 -1.373 -7.093 1.00 0.00 H new ATOM 0 HG LEU A 3 8.862 -2.488 -7.747 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.922 -4.772 -7.328 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.969 -3.767 -5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.431 -4.014 -6.721 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.676 -3.844 -9.495 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.161 -3.011 -9.073 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.520 -2.091 -9.761 1.00 0.00 H new ATOM 47 N VAL A 4 6.484 1.869 -8.343 1.00 0.00 N ATOM 48 CA VAL A 4 5.794 3.119 -8.103 1.00 0.00 C ATOM 49 C VAL A 4 4.414 3.067 -8.751 1.00 0.00 C ATOM 50 O VAL A 4 3.901 4.052 -9.289 1.00 0.00 O ATOM 51 CB VAL A 4 6.673 4.279 -8.593 1.00 0.00 C ATOM 52 CG1 VAL A 4 8.139 4.191 -8.152 1.00 0.00 C ATOM 53 CG2 VAL A 4 6.562 4.537 -10.092 1.00 0.00 C ATOM 0 H VAL A 4 6.496 1.589 -9.324 1.00 0.00 H new ATOM 0 HA VAL A 4 5.625 3.285 -7.039 1.00 0.00 H new ATOM 0 HB VAL A 4 6.253 5.148 -8.085 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.688 5.049 -8.541 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.192 4.190 -7.063 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.581 3.272 -8.538 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.210 5.369 -10.367 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.867 3.644 -10.638 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.530 4.782 -10.344 1.00 0.00 H new ATOM 63 N LEU A 5 3.779 1.903 -8.685 1.00 0.00 N ATOM 64 CA LEU A 5 2.479 1.713 -9.274 1.00 0.00 C ATOM 65 C LEU A 5 1.811 0.541 -8.582 1.00 0.00 C ATOM 66 O LEU A 5 2.327 -0.568 -8.649 1.00 0.00 O ATOM 67 CB LEU A 5 2.579 1.533 -10.789 1.00 0.00 C ATOM 68 CG LEU A 5 3.501 0.394 -11.274 1.00 0.00 C ATOM 69 CD1 LEU A 5 2.670 -0.686 -11.973 1.00 0.00 C ATOM 70 CD2 LEU A 5 4.561 0.960 -12.218 1.00 0.00 C ATOM 0 H LEU A 5 4.156 1.075 -8.223 1.00 0.00 H new ATOM 0 HA LEU A 5 1.862 2.600 -9.127 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.578 1.355 -11.181 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.930 2.469 -11.224 1.00 0.00 H new ATOM 0 HG LEU A 5 4.003 -0.059 -10.419 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.326 -1.487 -12.313 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.937 -1.090 -11.275 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.155 -0.251 -12.829 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.211 0.155 -12.560 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.074 1.422 -13.077 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.155 1.707 -11.692 1.00 0.00 H new ATOM 82 N VAL A 6 0.680 0.756 -7.914 1.00 0.00 N ATOM 83 CA VAL A 6 0.019 -0.321 -7.191 1.00 0.00 C ATOM 84 C VAL A 6 -1.475 -0.323 -7.487 1.00 0.00 C ATOM 85 O VAL A 6 -2.332 -0.381 -6.614 1.00 0.00 O ATOM 86 CB VAL A 6 0.397 -0.308 -5.703 1.00 0.00 C ATOM 87 CG1 VAL A 6 -0.107 0.935 -4.973 1.00 0.00 C ATOM 88 CG2 VAL A 6 -0.021 -1.638 -5.053 1.00 0.00 C ATOM 0 H VAL A 6 0.208 1.658 -7.860 1.00 0.00 H new ATOM 0 HA VAL A 6 0.381 -1.284 -7.550 1.00 0.00 H new ATOM 0 HB VAL A 6 1.481 -0.232 -5.615 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.191 0.888 -3.926 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.322 1.826 -5.432 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.194 0.980 -5.040 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.248 -1.627 -3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.099 -1.768 -5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.491 -2.462 -5.549 1.00 0.00 H new ATOM 98 N LYS A 7 -1.818 -0.318 -8.765 1.00 0.00 N ATOM 99 CA LYS A 7 -3.203 -0.441 -9.195 1.00 0.00 C ATOM 100 C LYS A 7 -3.421 -1.756 -9.935 1.00 0.00 C ATOM 101 O LYS A 7 -4.317 -1.833 -10.775 1.00 0.00 O ATOM 102 CB LYS A 7 -3.547 0.801 -10.037 1.00 0.00 C ATOM 103 CG LYS A 7 -2.620 1.095 -11.231 1.00 0.00 C ATOM 104 CD LYS A 7 -1.993 2.489 -11.099 1.00 0.00 C ATOM 105 CE LYS A 7 -1.314 2.885 -12.409 1.00 0.00 C ATOM 106 NZ LYS A 7 -0.982 4.323 -12.451 1.00 0.00 N ATOM 0 H LYS A 7 -1.149 -0.229 -9.530 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.881 -0.474 -8.342 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.564 0.688 -10.413 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.545 1.671 -9.380 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.835 0.341 -11.283 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.185 1.031 -12.161 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.761 3.219 -10.843 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.266 2.494 -10.287 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.403 2.299 -12.536 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.970 2.640 -13.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.523 4.547 -13.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.853 4.883 -12.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.336 4.553 -11.669 1.00 0.00 H new ATOM 120 N TYR A 8 -2.756 -2.829 -9.495 1.00 0.00 N ATOM 121 CA TYR A 8 -2.809 -4.149 -10.128 1.00 0.00 C ATOM 122 C TYR A 8 -2.678 -5.245 -9.072 1.00 0.00 C ATOM 123 O TYR A 8 -2.092 -6.292 -9.322 1.00 0.00 O ATOM 124 CB TYR A 8 -1.625 -4.243 -11.112 1.00 0.00 C ATOM 125 CG TYR A 8 -1.713 -3.265 -12.265 1.00 0.00 C ATOM 126 CD1 TYR A 8 -2.733 -3.438 -13.217 1.00 0.00 C ATOM 127 CD2 TYR A 8 -0.829 -2.174 -12.371 1.00 0.00 C ATOM 128 CE1 TYR A 8 -2.915 -2.493 -14.235 1.00 0.00 C ATOM 129 CE2 TYR A 8 -1.000 -1.223 -13.397 1.00 0.00 C ATOM 130 CZ TYR A 8 -2.074 -1.359 -14.307 1.00 0.00 C ATOM 131 OH TYR A 8 -2.310 -0.397 -15.240 1.00 0.00 O ATOM 0 H TYR A 8 -2.154 -2.803 -8.672 1.00 0.00 H new ATOM 0 HA TYR A 8 -3.759 -4.280 -10.646 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.697 -4.067 -10.568 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.574 -5.257 -11.510 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.378 -4.302 -13.163 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.019 -2.066 -11.665 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -3.698 -2.631 -14.965 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -0.314 -0.394 -13.488 1.00 0.00 H new ATOM 0 HH TYR A 8 -1.641 0.314 -15.153 1.00 0.00 H new ATOM 141 N GLY A 9 -3.279 -5.033 -7.900 1.00 0.00 N ATOM 142 CA GLY A 9 -3.046 -5.883 -6.750 1.00 0.00 C ATOM 143 C GLY A 9 -1.557 -5.921 -6.450 1.00 0.00 C ATOM 144 O GLY A 9 -0.971 -4.973 -5.924 1.00 0.00 O ATOM 0 H GLY A 9 -3.935 -4.271 -7.730 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.593 -5.505 -5.887 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.415 -6.890 -6.946 1.00 0.00 H new ATOM 148 N THR A 10 -0.946 -7.014 -6.849 1.00 0.00 N ATOM 149 CA THR A 10 0.199 -7.593 -6.166 1.00 0.00 C ATOM 150 C THR A 10 1.551 -7.077 -6.691 1.00 0.00 C ATOM 151 O THR A 10 2.514 -7.842 -6.736 1.00 0.00 O ATOM 152 CB THR A 10 0.081 -9.132 -6.170 1.00 0.00 C ATOM 153 OG1 THR A 10 -0.484 -9.613 -7.379 1.00 0.00 O ATOM 154 CG2 THR A 10 -0.784 -9.668 -5.014 1.00 0.00 C ATOM 0 H THR A 10 -1.234 -7.539 -7.674 1.00 0.00 H new ATOM 0 HA THR A 10 0.181 -7.257 -5.129 1.00 0.00 H new ATOM 0 HB THR A 10 1.104 -9.491 -6.055 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.542 -10.591 -7.347 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.831 -10.756 -5.068 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.344 -9.371 -4.062 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.791 -9.257 -5.092 1.00 0.00 H new ATOM 162 N ASP A 11 1.685 -5.781 -7.014 1.00 0.00 N ATOM 163 CA ASP A 11 2.889 -5.284 -7.699 1.00 0.00 C ATOM 164 C ASP A 11 3.649 -4.189 -6.929 1.00 0.00 C ATOM 165 O ASP A 11 4.183 -3.269 -7.537 1.00 0.00 O ATOM 166 CB ASP A 11 2.527 -4.822 -9.130 1.00 0.00 C ATOM 167 CG ASP A 11 3.751 -4.708 -10.056 1.00 0.00 C ATOM 168 OD1 ASP A 11 4.559 -5.673 -10.112 1.00 0.00 O ATOM 169 OD2 ASP A 11 3.833 -3.776 -10.885 1.00 0.00 O ATOM 0 H ASP A 11 0.985 -5.066 -6.815 1.00 0.00 H new ATOM 0 HA ASP A 11 3.585 -6.122 -7.749 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.816 -5.525 -9.563 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.027 -3.855 -9.077 1.00 0.00 H new ATOM 174 N HIS A 12 3.763 -4.277 -5.595 1.00 0.00 N ATOM 175 CA HIS A 12 4.580 -3.351 -4.786 1.00 0.00 C ATOM 176 C HIS A 12 4.856 -3.951 -3.397 1.00 0.00 C ATOM 177 O HIS A 12 4.205 -4.934 -3.041 1.00 0.00 O ATOM 178 CB HIS A 12 3.889 -1.965 -4.736 1.00 0.00 C ATOM 179 CG HIS A 12 2.902 -1.792 -3.606 1.00 0.00 C ATOM 180 ND1 HIS A 12 2.226 -2.804 -2.964 1.00 0.00 N ATOM 181 CD2 HIS A 12 2.504 -0.611 -3.037 1.00 0.00 C ATOM 182 CE1 HIS A 12 1.462 -2.254 -2.020 1.00 0.00 C ATOM 183 NE2 HIS A 12 1.583 -0.922 -2.029 1.00 0.00 N ATOM 0 H HIS A 12 3.291 -4.993 -5.043 1.00 0.00 H new ATOM 0 HA HIS A 12 5.557 -3.205 -5.247 1.00 0.00 H new ATOM 0 HB2 HIS A 12 4.656 -1.195 -4.652 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.372 -1.798 -5.681 1.00 0.00 H new ATOM 0 HD1 HIS A 12 2.297 -3.800 -3.173 1.00 0.00 H new ATOM 0 HD2 HIS A 12 2.839 0.378 -3.315 1.00 0.00 H new ATOM 0 HE1 HIS A 12 0.831 -2.808 -1.341 1.00 0.00 H new ATOM 191 N PRO A 13 5.795 -3.423 -2.591 1.00 0.00 N ATOM 192 CA PRO A 13 6.062 -3.946 -1.245 1.00 0.00 C ATOM 193 C PRO A 13 4.873 -3.708 -0.302 1.00 0.00 C ATOM 194 O PRO A 13 4.044 -2.900 -0.665 1.00 0.00 O ATOM 195 CB PRO A 13 7.324 -3.198 -0.825 1.00 0.00 C ATOM 196 CG PRO A 13 7.253 -1.861 -1.545 1.00 0.00 C ATOM 197 CD PRO A 13 6.626 -2.257 -2.873 1.00 0.00 C ATOM 0 HA PRO A 13 6.201 -5.027 -1.215 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.360 -3.062 0.256 1.00 0.00 H new ATOM 0 HB3 PRO A 13 8.221 -3.750 -1.107 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.643 -1.137 -1.004 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.238 -1.414 -1.675 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.029 -1.442 -3.282 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.392 -2.493 -3.612 1.00 0.00 H new ATOM 205 N VAL A 14 4.766 -4.386 0.866 1.00 0.00 N ATOM 206 CA VAL A 14 3.772 -4.213 1.945 1.00 0.00 C ATOM 207 C VAL A 14 3.788 -5.445 2.844 1.00 0.00 C ATOM 208 O VAL A 14 3.452 -5.372 4.018 1.00 0.00 O ATOM 209 CB VAL A 14 2.360 -3.886 1.409 1.00 0.00 C ATOM 210 CG1 VAL A 14 1.183 -4.526 2.157 1.00 0.00 C ATOM 211 CG2 VAL A 14 2.152 -2.364 1.422 1.00 0.00 C ATOM 0 H VAL A 14 5.428 -5.128 1.093 1.00 0.00 H new ATOM 0 HA VAL A 14 4.053 -3.344 2.540 1.00 0.00 H new ATOM 0 HB VAL A 14 2.347 -4.316 0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.246 -4.223 1.689 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.274 -5.611 2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.191 -4.199 3.197 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.157 -2.130 1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.250 -1.992 2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.901 -1.889 0.789 1.00 0.00 H new ATOM 221 N GLU A 15 4.167 -6.591 2.287 1.00 0.00 N ATOM 222 CA GLU A 15 4.204 -7.870 2.994 1.00 0.00 C ATOM 223 C GLU A 15 5.197 -8.817 2.329 1.00 0.00 C ATOM 224 O GLU A 15 5.904 -9.553 3.002 1.00 0.00 O ATOM 225 CB GLU A 15 2.762 -8.365 3.176 1.00 0.00 C ATOM 226 CG GLU A 15 2.044 -8.729 1.878 1.00 0.00 C ATOM 227 CD GLU A 15 1.555 -10.171 1.889 1.00 0.00 C ATOM 228 OE1 GLU A 15 0.902 -10.550 2.886 1.00 0.00 O ATOM 229 OE2 GLU A 15 1.834 -10.904 0.917 1.00 0.00 O ATOM 0 H GLU A 15 4.463 -6.660 1.313 1.00 0.00 H new ATOM 0 HA GLU A 15 4.600 -7.783 4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.772 -9.239 3.827 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.189 -7.592 3.688 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.197 -8.059 1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.719 -8.580 1.035 1.00 0.00 H new ATOM 236 N LYS A 16 5.412 -8.672 1.025 1.00 0.00 N ATOM 237 CA LYS A 16 6.117 -9.646 0.218 1.00 0.00 C ATOM 238 C LYS A 16 7.165 -8.975 -0.650 1.00 0.00 C ATOM 239 O LYS A 16 8.341 -9.219 -0.424 1.00 0.00 O ATOM 240 CB LYS A 16 5.052 -10.392 -0.568 1.00 0.00 C ATOM 241 CG LYS A 16 5.543 -11.735 -1.127 1.00 0.00 C ATOM 242 CD LYS A 16 5.225 -12.865 -0.137 1.00 0.00 C ATOM 243 CE LYS A 16 5.656 -14.223 -0.690 1.00 0.00 C ATOM 244 NZ LYS A 16 4.659 -14.839 -1.592 1.00 0.00 N ATOM 0 H LYS A 16 5.094 -7.860 0.497 1.00 0.00 H new ATOM 0 HA LYS A 16 6.682 -10.355 0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.190 -10.567 0.076 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.712 -9.765 -1.392 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.065 -11.936 -2.086 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.617 -11.692 -1.309 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.733 -12.677 0.809 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.155 -12.878 0.073 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.596 -14.105 -1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.848 -14.900 0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.016 -15.756 -1.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.767 -14.983 -1.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.492 -14.212 -2.405 1.00 0.00 H new ATOM 258 N LEU A 17 6.819 -8.032 -1.537 1.00 0.00 N ATOM 259 CA LEU A 17 7.846 -7.304 -2.301 1.00 0.00 C ATOM 260 C LEU A 17 8.794 -6.537 -1.387 1.00 0.00 C ATOM 261 O LEU A 17 9.969 -6.379 -1.711 1.00 0.00 O ATOM 262 CB LEU A 17 7.209 -6.372 -3.356 1.00 0.00 C ATOM 263 CG LEU A 17 7.363 -6.844 -4.807 1.00 0.00 C ATOM 264 CD1 LEU A 17 8.840 -6.786 -5.232 1.00 0.00 C ATOM 265 CD2 LEU A 17 6.740 -8.226 -5.002 1.00 0.00 C ATOM 0 H LEU A 17 5.858 -7.758 -1.742 1.00 0.00 H new ATOM 0 HA LEU A 17 8.439 -8.049 -2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.147 -6.267 -3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.654 -5.382 -3.262 1.00 0.00 H new ATOM 0 HG LEU A 17 6.815 -6.168 -5.463 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.935 -7.124 -6.264 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.202 -5.761 -5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.431 -7.432 -4.583 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.863 -8.537 -6.039 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.234 -8.944 -4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.678 -8.184 -4.759 1.00 0.00 H new ATOM 277 N LYS A 18 8.318 -6.138 -0.204 1.00 0.00 N ATOM 278 CA LYS A 18 9.155 -5.489 0.795 1.00 0.00 C ATOM 279 C LYS A 18 10.240 -6.475 1.250 1.00 0.00 C ATOM 280 O LYS A 18 11.366 -6.087 1.500 1.00 0.00 O ATOM 281 CB LYS A 18 8.286 -4.900 1.939 1.00 0.00 C ATOM 282 CG LYS A 18 8.412 -5.551 3.319 1.00 0.00 C ATOM 283 CD LYS A 18 7.609 -6.851 3.358 1.00 0.00 C ATOM 284 CE LYS A 18 8.251 -7.965 4.186 1.00 0.00 C ATOM 285 NZ LYS A 18 8.722 -7.529 5.509 1.00 0.00 N ATOM 0 H LYS A 18 7.346 -6.257 0.082 1.00 0.00 H new ATOM 0 HA LYS A 18 9.674 -4.628 0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.532 -3.843 2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.241 -4.956 1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.460 -5.754 3.540 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.051 -4.867 4.087 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.618 -6.640 3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.469 -7.208 2.338 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.528 -8.770 4.316 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.092 -8.379 3.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.373 -8.241 5.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.217 -6.619 5.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.909 -7.419 6.148 1.00 0.00 H new ATOM 299 N ILE A 19 9.938 -7.770 1.341 1.00 0.00 N ATOM 300 CA ILE A 19 10.889 -8.770 1.805 1.00 0.00 C ATOM 301 C ILE A 19 12.083 -8.803 0.853 1.00 0.00 C ATOM 302 O ILE A 19 13.223 -8.916 1.297 1.00 0.00 O ATOM 303 CB ILE A 19 10.148 -10.126 1.986 1.00 0.00 C ATOM 304 CG1 ILE A 19 10.212 -10.647 3.435 1.00 0.00 C ATOM 305 CG2 ILE A 19 10.519 -11.261 1.016 1.00 0.00 C ATOM 306 CD1 ILE A 19 8.882 -11.322 3.785 1.00 0.00 C ATOM 0 H ILE A 19 9.025 -8.152 1.094 1.00 0.00 H new ATOM 0 HA ILE A 19 11.301 -8.525 2.784 1.00 0.00 H new ATOM 0 HB ILE A 19 9.126 -9.851 1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.033 -11.355 3.544 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.408 -9.824 4.122 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.931 -12.148 1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.310 -10.948 -0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.580 -11.492 1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.921 -11.693 4.809 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.071 -10.599 3.691 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.706 -12.155 3.104 1.00 0.00 H new ATOM 318 N ARG A 20 11.827 -8.613 -0.447 1.00 0.00 N ATOM 319 CA ARG A 20 12.839 -8.654 -1.484 1.00 0.00 C ATOM 320 C ARG A 20 13.758 -7.428 -1.451 1.00 0.00 C ATOM 321 O ARG A 20 14.770 -7.480 -2.148 1.00 0.00 O ATOM 322 CB ARG A 20 12.155 -8.833 -2.854 1.00 0.00 C ATOM 323 CG ARG A 20 11.486 -10.216 -3.027 1.00 0.00 C ATOM 324 CD ARG A 20 9.959 -10.211 -3.151 1.00 0.00 C ATOM 325 NE ARG A 20 9.449 -11.376 -3.889 1.00 0.00 N ATOM 326 CZ ARG A 20 9.087 -11.419 -5.178 1.00 0.00 C ATOM 327 NH1 ARG A 20 9.223 -10.363 -5.982 1.00 0.00 N ATOM 328 NH2 ARG A 20 8.620 -12.564 -5.654 1.00 0.00 N ATOM 0 H ARG A 20 10.890 -8.424 -0.804 1.00 0.00 H new ATOM 0 HA ARG A 20 13.490 -9.509 -1.302 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.403 -8.055 -2.981 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.894 -8.694 -3.643 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.902 -10.690 -3.916 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.760 -10.839 -2.176 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.517 -10.194 -2.155 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.642 -9.298 -3.656 1.00 0.00 H new ATOM 0 HE ARG A 20 9.361 -12.245 -3.363 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.612 -9.493 -5.619 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.938 -10.426 -6.959 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.545 -13.378 -5.043 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.335 -12.632 -6.631 1.00 0.00 H new ATOM 342 N SER A 21 13.443 -6.389 -0.660 1.00 0.00 N ATOM 343 CA SER A 21 14.199 -5.159 -0.425 1.00 0.00 C ATOM 344 C SER A 21 13.268 -4.109 0.193 1.00 0.00 C ATOM 345 O SER A 21 12.593 -3.384 -0.534 1.00 0.00 O ATOM 346 CB SER A 21 14.829 -4.619 -1.715 1.00 0.00 C ATOM 347 OG SER A 21 16.193 -5.022 -1.804 1.00 0.00 O ATOM 0 H SER A 21 12.575 -6.394 -0.124 1.00 0.00 H new ATOM 0 HA SER A 21 15.016 -5.383 0.261 1.00 0.00 H new ATOM 0 HB2 SER A 21 14.277 -4.987 -2.580 1.00 0.00 H new ATOM 0 HB3 SER A 21 14.762 -3.531 -1.733 1.00 0.00 H new ATOM 0 HG SER A 21 16.240 -5.992 -1.934 1.00 0.00 H new ATOM 353 N ALA A 22 13.219 -4.035 1.525 1.00 0.00 N ATOM 354 CA ALA A 22 12.569 -2.993 2.318 1.00 0.00 C ATOM 355 C ALA A 22 12.867 -3.257 3.772 1.00 0.00 C ATOM 356 O ALA A 22 12.975 -4.413 4.194 1.00 0.00 O ATOM 357 CB ALA A 22 11.043 -3.033 2.216 1.00 0.00 C ATOM 0 H ALA A 22 13.659 -4.744 2.112 1.00 0.00 H new ATOM 0 HA ALA A 22 12.940 -2.038 1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.617 -2.236 2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.744 -2.894 1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.680 -3.997 2.573 1.00 0.00 H new ATOM 363 N LYS A 23 12.942 -2.184 4.546 1.00 0.00 N ATOM 364 CA LYS A 23 13.313 -2.198 5.946 1.00 0.00 C ATOM 365 C LYS A 23 12.289 -1.356 6.685 1.00 0.00 C ATOM 366 O LYS A 23 11.259 -0.999 6.114 1.00 0.00 O ATOM 367 CB LYS A 23 14.742 -1.653 6.080 1.00 0.00 C ATOM 368 CG LYS A 23 15.690 -2.529 6.913 1.00 0.00 C ATOM 369 CD LYS A 23 16.568 -3.422 6.024 1.00 0.00 C ATOM 370 CE LYS A 23 15.733 -4.457 5.295 1.00 0.00 C ATOM 371 NZ LYS A 23 16.448 -5.083 4.160 1.00 0.00 N ATOM 0 H LYS A 23 12.738 -1.247 4.199 1.00 0.00 H new ATOM 0 HA LYS A 23 13.313 -3.201 6.374 1.00 0.00 H new ATOM 0 HB2 LYS A 23 15.165 -1.532 5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.697 -0.661 6.530 1.00 0.00 H new ATOM 0 HG2 LYS A 23 16.325 -1.893 7.530 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.107 -3.152 7.592 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.103 -2.807 5.301 1.00 0.00 H new ATOM 0 HD3 LYS A 23 17.320 -3.922 6.635 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.430 -5.233 5.999 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.821 -3.987 4.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.828 -5.781 3.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.714 -4.351 3.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.305 -5.558 4.509 1.00 0.00 H new ATOM 385 N ALA A 24 12.534 -1.071 7.959 1.00 0.00 N ATOM 386 CA ALA A 24 11.514 -0.408 8.748 1.00 0.00 C ATOM 387 C ALA A 24 11.314 1.062 8.352 1.00 0.00 C ATOM 388 O ALA A 24 10.307 1.662 8.729 1.00 0.00 O ATOM 389 CB ALA A 24 11.865 -0.480 10.229 1.00 0.00 C ATOM 0 H ALA A 24 13.402 -1.282 8.451 1.00 0.00 H new ATOM 0 HA ALA A 24 10.580 -0.934 8.551 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.092 0.021 10.811 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.932 -1.524 10.537 1.00 0.00 H new ATOM 0 HB3 ALA A 24 12.823 0.011 10.400 1.00 0.00 H new ATOM 395 N GLU A 25 12.260 1.661 7.615 1.00 0.00 N ATOM 396 CA GLU A 25 12.228 3.094 7.314 1.00 0.00 C ATOM 397 C GLU A 25 11.722 3.337 5.904 1.00 0.00 C ATOM 398 O GLU A 25 11.967 4.370 5.273 1.00 0.00 O ATOM 399 CB GLU A 25 13.668 3.632 7.470 1.00 0.00 C ATOM 400 CG GLU A 25 13.922 4.521 8.696 1.00 0.00 C ATOM 401 CD GLU A 25 13.555 5.992 8.486 1.00 0.00 C ATOM 402 OE1 GLU A 25 13.873 6.585 7.425 1.00 0.00 O ATOM 403 OE2 GLU A 25 12.920 6.589 9.382 1.00 0.00 O ATOM 0 H GLU A 25 13.060 1.170 7.216 1.00 0.00 H new ATOM 0 HA GLU A 25 11.550 3.608 7.995 1.00 0.00 H new ATOM 0 HB2 GLU A 25 14.350 2.783 7.513 1.00 0.00 H new ATOM 0 HB3 GLU A 25 13.922 4.199 6.575 1.00 0.00 H new ATOM 0 HG2 GLU A 25 13.351 4.132 9.539 1.00 0.00 H new ATOM 0 HG3 GLU A 25 14.976 4.455 8.967 1.00 0.00 H new ATOM 410 N ASP A 26 10.787 2.491 5.523 1.00 0.00 N ATOM 411 CA ASP A 26 10.170 2.522 4.225 1.00 0.00 C ATOM 412 C ASP A 26 8.736 3.032 4.411 1.00 0.00 C ATOM 413 O ASP A 26 8.139 2.865 5.481 1.00 0.00 O ATOM 414 CB ASP A 26 10.213 1.098 3.656 1.00 0.00 C ATOM 415 CG ASP A 26 11.481 0.714 2.880 1.00 0.00 C ATOM 416 OD1 ASP A 26 12.590 0.698 3.470 1.00 0.00 O ATOM 417 OD2 ASP A 26 11.405 0.408 1.667 1.00 0.00 O ATOM 0 H ASP A 26 10.431 1.748 6.125 1.00 0.00 H new ATOM 0 HA ASP A 26 10.682 3.183 3.525 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.091 0.396 4.481 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.355 0.967 2.996 1.00 0.00 H new ATOM 422 N LYS A 27 8.157 3.660 3.385 1.00 0.00 N ATOM 423 CA LYS A 27 6.760 4.092 3.390 1.00 0.00 C ATOM 424 C LYS A 27 6.083 3.394 2.227 1.00 0.00 C ATOM 425 O LYS A 27 6.734 3.169 1.214 1.00 0.00 O ATOM 426 CB LYS A 27 6.607 5.617 3.256 1.00 0.00 C ATOM 427 CG LYS A 27 6.899 6.428 4.534 1.00 0.00 C ATOM 428 CD LYS A 27 8.214 7.219 4.514 1.00 0.00 C ATOM 429 CE LYS A 27 9.410 6.275 4.631 1.00 0.00 C ATOM 430 NZ LYS A 27 10.690 6.990 4.748 1.00 0.00 N ATOM 0 H LYS A 27 8.650 3.884 2.521 1.00 0.00 H new ATOM 0 HA LYS A 27 6.304 3.830 4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.274 5.964 2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.589 5.836 2.933 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.077 7.124 4.701 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.916 5.745 5.384 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.286 7.793 3.590 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.227 7.935 5.336 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.277 5.633 5.502 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.441 5.625 3.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.443 6.316 4.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.916 7.447 3.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.617 7.713 5.492 1.00 0.00 H new ATOM 444 N ILE A 28 4.826 2.987 2.369 1.00 0.00 N ATOM 445 CA ILE A 28 4.108 2.352 1.282 1.00 0.00 C ATOM 446 C ILE A 28 2.610 2.615 1.480 1.00 0.00 C ATOM 447 O ILE A 28 2.150 2.808 2.612 1.00 0.00 O ATOM 448 CB ILE A 28 4.424 0.837 1.183 1.00 0.00 C ATOM 449 CG1 ILE A 28 5.816 0.316 1.656 1.00 0.00 C ATOM 450 CG2 ILE A 28 4.261 0.469 -0.304 1.00 0.00 C ATOM 451 CD1 ILE A 28 5.746 -1.145 2.057 1.00 0.00 C ATOM 0 H ILE A 28 4.287 3.088 3.229 1.00 0.00 H new ATOM 0 HA ILE A 28 4.431 2.780 0.333 1.00 0.00 H new ATOM 0 HB ILE A 28 3.739 0.362 1.886 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.546 0.442 0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.163 0.912 2.500 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.471 -0.592 -0.441 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.240 0.681 -0.621 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.956 1.057 -0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.731 -1.481 2.382 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.034 -1.264 2.874 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.423 -1.741 1.204 1.00 0.00 H new ATOM 463 N VAL A 29 1.859 2.587 0.380 1.00 0.00 N ATOM 464 CA VAL A 29 0.419 2.811 0.294 1.00 0.00 C ATOM 465 C VAL A 29 -0.130 1.965 -0.850 1.00 0.00 C ATOM 466 O VAL A 29 0.524 1.895 -1.882 1.00 0.00 O ATOM 467 CB VAL A 29 0.103 4.299 0.039 1.00 0.00 C ATOM 468 CG1 VAL A 29 -1.395 4.545 -0.218 1.00 0.00 C ATOM 469 CG2 VAL A 29 0.500 5.134 1.255 1.00 0.00 C ATOM 0 H VAL A 29 2.268 2.394 -0.534 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.046 2.528 1.238 1.00 0.00 H new ATOM 0 HB VAL A 29 0.669 4.587 -0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.565 5.608 -0.392 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.712 3.979 -1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.971 4.223 0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.273 6.183 1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.058 4.794 2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.568 5.022 1.441 1.00 0.00 H new ATOM 479 N LEU A 30 -1.338 1.403 -0.697 1.00 0.00 N ATOM 480 CA LEU A 30 -2.049 0.614 -1.714 1.00 0.00 C ATOM 481 C LEU A 30 -3.135 1.467 -2.349 1.00 0.00 C ATOM 482 O LEU A 30 -3.806 2.209 -1.629 1.00 0.00 O ATOM 483 CB LEU A 30 -2.765 -0.630 -1.116 1.00 0.00 C ATOM 484 CG LEU A 30 -2.427 -1.117 0.301 1.00 0.00 C ATOM 485 CD1 LEU A 30 -3.337 -2.292 0.674 1.00 0.00 C ATOM 486 CD2 LEU A 30 -0.993 -1.594 0.449 1.00 0.00 C ATOM 0 H LEU A 30 -1.867 1.489 0.171 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.295 0.290 -2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.836 -0.427 -1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.583 -1.463 -1.795 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.574 -0.258 0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.094 -2.635 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.378 -1.971 0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.187 -3.107 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.823 -1.924 1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.814 -2.425 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.312 -0.777 0.213 1.00 0.00 H new ATOM 498 N ILE A 31 -3.395 1.283 -3.647 1.00 0.00 N ATOM 499 CA ILE A 31 -4.469 1.969 -4.354 1.00 0.00 C ATOM 500 C ILE A 31 -5.248 0.968 -5.202 1.00 0.00 C ATOM 501 O ILE A 31 -4.906 -0.205 -5.238 1.00 0.00 O ATOM 502 CB ILE A 31 -3.930 3.201 -5.114 1.00 0.00 C ATOM 503 CG1 ILE A 31 -3.572 2.843 -6.567 1.00 0.00 C ATOM 504 CG2 ILE A 31 -2.771 3.932 -4.398 1.00 0.00 C ATOM 505 CD1 ILE A 31 -3.199 4.046 -7.418 1.00 0.00 C ATOM 0 H ILE A 31 -2.859 0.647 -4.237 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.190 2.382 -3.649 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.748 3.921 -5.128 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.740 2.139 -6.564 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.419 2.333 -7.026 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.452 4.784 -4.998 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.109 4.282 -3.422 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.934 3.246 -4.268 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.959 3.716 -8.429 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.038 4.741 -7.452 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.332 4.544 -6.984 1.00 0.00 H new ATOM 517 N GLN A 32 -6.274 1.436 -5.908 1.00 0.00 N ATOM 518 CA GLN A 32 -7.094 0.739 -6.894 1.00 0.00 C ATOM 519 C GLN A 32 -7.245 -0.754 -6.583 1.00 0.00 C ATOM 520 O GLN A 32 -7.849 -1.097 -5.576 1.00 0.00 O ATOM 521 CB GLN A 32 -6.616 1.008 -8.324 1.00 0.00 C ATOM 522 CG GLN A 32 -6.450 2.498 -8.675 1.00 0.00 C ATOM 523 CD GLN A 32 -7.355 2.878 -9.824 1.00 0.00 C ATOM 524 OE1 GLN A 32 -6.942 2.878 -10.981 1.00 0.00 O ATOM 525 NE2 GLN A 32 -8.600 3.202 -9.530 1.00 0.00 N ATOM 0 H GLN A 32 -6.580 2.402 -5.793 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.099 1.155 -6.822 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.661 0.504 -8.475 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.326 0.561 -9.020 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.683 3.110 -7.804 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.412 2.701 -8.940 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.914 3.193 -8.560 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.249 3.462 -10.273 1.00 0.00 H new ATOM 534 N ASN A 33 -6.675 -1.650 -7.402 1.00 0.00 N ATOM 535 CA ASN A 33 -6.691 -3.094 -7.157 1.00 0.00 C ATOM 536 C ASN A 33 -5.601 -3.521 -6.183 1.00 0.00 C ATOM 537 O ASN A 33 -5.745 -4.554 -5.544 1.00 0.00 O ATOM 538 CB ASN A 33 -6.557 -3.893 -8.462 1.00 0.00 C ATOM 539 CG ASN A 33 -7.568 -3.408 -9.500 1.00 0.00 C ATOM 540 OD1 ASN A 33 -8.773 -3.620 -9.363 1.00 0.00 O ATOM 541 ND2 ASN A 33 -7.133 -2.654 -10.496 1.00 0.00 N ATOM 0 H ASN A 33 -6.187 -1.388 -8.259 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.659 -3.314 -6.708 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -5.546 -3.789 -8.856 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.714 -4.953 -8.263 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.797 -2.246 -11.154 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.134 -2.481 -10.606 1.00 0.00 H new ATOM 548 N GLY A 34 -4.530 -2.736 -6.049 1.00 0.00 N ATOM 549 CA GLY A 34 -3.503 -2.838 -5.014 1.00 0.00 C ATOM 550 C GLY A 34 -4.057 -3.053 -3.619 1.00 0.00 C ATOM 551 O GLY A 34 -3.400 -3.662 -2.780 1.00 0.00 O ATOM 0 H GLY A 34 -4.347 -1.970 -6.697 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.834 -3.663 -5.260 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.903 -1.928 -5.020 1.00 0.00 H new ATOM 555 N VAL A 35 -5.278 -2.587 -3.361 1.00 0.00 N ATOM 556 CA VAL A 35 -5.967 -2.805 -2.097 1.00 0.00 C ATOM 557 C VAL A 35 -5.998 -4.293 -1.670 1.00 0.00 C ATOM 558 O VAL A 35 -6.127 -4.570 -0.475 1.00 0.00 O ATOM 559 CB VAL A 35 -7.373 -2.196 -2.190 1.00 0.00 C ATOM 560 CG1 VAL A 35 -7.304 -0.678 -2.435 1.00 0.00 C ATOM 561 CG2 VAL A 35 -8.284 -2.923 -3.195 1.00 0.00 C ATOM 0 H VAL A 35 -5.819 -2.042 -4.032 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.407 -2.304 -1.307 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.849 -2.347 -1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.314 -0.273 -2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.771 -0.201 -1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.778 -0.484 -3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.262 -2.443 -3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.839 -2.876 -4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.396 -3.965 -2.896 1.00 0.00 H new ATOM 571 N PHE A 36 -5.826 -5.248 -2.599 1.00 0.00 N ATOM 572 CA PHE A 36 -5.670 -6.676 -2.308 1.00 0.00 C ATOM 573 C PHE A 36 -4.594 -6.981 -1.255 1.00 0.00 C ATOM 574 O PHE A 36 -4.693 -7.985 -0.555 1.00 0.00 O ATOM 575 CB PHE A 36 -5.300 -7.431 -3.593 1.00 0.00 C ATOM 576 CG PHE A 36 -6.437 -7.907 -4.475 1.00 0.00 C ATOM 577 CD1 PHE A 36 -7.479 -7.047 -4.874 1.00 0.00 C ATOM 578 CD2 PHE A 36 -6.423 -9.237 -4.935 1.00 0.00 C ATOM 579 CE1 PHE A 36 -8.455 -7.493 -5.781 1.00 0.00 C ATOM 580 CE2 PHE A 36 -7.407 -9.690 -5.825 1.00 0.00 C ATOM 581 CZ PHE A 36 -8.391 -8.804 -6.290 1.00 0.00 C ATOM 0 H PHE A 36 -5.791 -5.039 -3.597 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.629 -7.002 -1.906 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.658 -6.784 -4.191 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.704 -8.300 -3.313 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.528 -6.042 -4.482 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.650 -9.913 -4.600 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.252 -6.832 -6.087 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.408 -10.719 -6.152 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.099 -9.128 -7.038 1.00 0.00 H new ATOM 591 N TRP A 37 -3.566 -6.143 -1.103 1.00 0.00 N ATOM 592 CA TRP A 37 -2.500 -6.454 -0.152 1.00 0.00 C ATOM 593 C TRP A 37 -3.013 -6.376 1.294 1.00 0.00 C ATOM 594 O TRP A 37 -2.366 -6.929 2.186 1.00 0.00 O ATOM 595 CB TRP A 37 -1.276 -5.547 -0.321 1.00 0.00 C ATOM 596 CG TRP A 37 -0.432 -5.683 -1.552 1.00 0.00 C ATOM 597 CD1 TRP A 37 -0.441 -4.854 -2.616 1.00 0.00 C ATOM 598 CD2 TRP A 37 0.622 -6.654 -1.827 1.00 0.00 C ATOM 599 NE1 TRP A 37 0.525 -5.244 -3.517 1.00 0.00 N ATOM 600 CE2 TRP A 37 1.262 -6.310 -3.050 1.00 0.00 C ATOM 601 CE3 TRP A 37 1.082 -7.815 -1.184 1.00 0.00 C ATOM 602 CZ2 TRP A 37 2.349 -7.041 -3.559 1.00 0.00 C ATOM 603 CZ3 TRP A 37 2.174 -8.547 -1.683 1.00 0.00 C ATOM 604 CH2 TRP A 37 2.824 -8.157 -2.862 1.00 0.00 C ATOM 0 H TRP A 37 -3.451 -5.267 -1.612 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.184 -7.475 -0.367 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.623 -4.515 -0.273 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.628 -5.706 0.541 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.105 -4.012 -2.742 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.676 -4.797 -4.421 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.586 -8.153 -0.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.816 -6.742 -4.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.517 -9.422 -1.150 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.678 -8.709 -3.226 1.00 0.00 H new ATOM 615 N ALA A 38 -4.146 -5.718 1.565 1.00 0.00 N ATOM 616 CA ALA A 38 -4.728 -5.604 2.900 1.00 0.00 C ATOM 617 C ALA A 38 -5.579 -6.814 3.261 1.00 0.00 C ATOM 618 O ALA A 38 -6.611 -6.619 3.906 1.00 0.00 O ATOM 619 CB ALA A 38 -5.565 -4.317 2.964 1.00 0.00 C ATOM 0 H ALA A 38 -4.692 -5.242 0.846 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.919 -5.564 3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.006 -4.219 3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.926 -3.457 2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.358 -4.361 2.217 1.00 0.00 H new ATOM 625 N LEU A 39 -5.154 -8.029 2.885 1.00 0.00 N ATOM 626 CA LEU A 39 -5.925 -9.266 3.041 1.00 0.00 C ATOM 627 C LEU A 39 -5.172 -10.492 2.505 1.00 0.00 C ATOM 628 O LEU A 39 -5.774 -11.424 1.965 1.00 0.00 O ATOM 629 CB LEU A 39 -7.336 -9.090 2.443 1.00 0.00 C ATOM 630 CG LEU A 39 -7.448 -8.408 1.061 1.00 0.00 C ATOM 631 CD1 LEU A 39 -7.356 -9.384 -0.116 1.00 0.00 C ATOM 632 CD2 LEU A 39 -8.759 -7.633 1.014 1.00 0.00 C ATOM 0 H LEU A 39 -4.242 -8.180 2.454 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.053 -9.467 4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.795 -10.076 2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.931 -8.514 3.151 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.594 -7.740 0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.443 -8.833 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.397 -9.901 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.163 -10.113 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.858 -7.143 0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.593 -8.320 1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.766 -6.881 1.803 1.00 0.00 H new ATOM 644 N GLU A 40 -3.858 -10.536 2.736 1.00 0.00 N ATOM 645 CA GLU A 40 -2.992 -11.698 2.498 1.00 0.00 C ATOM 646 C GLU A 40 -2.337 -12.040 3.843 1.00 0.00 C ATOM 647 O GLU A 40 -2.882 -11.675 4.884 1.00 0.00 O ATOM 648 CB GLU A 40 -2.005 -11.457 1.331 1.00 0.00 C ATOM 649 CG GLU A 40 -2.570 -10.557 0.221 1.00 0.00 C ATOM 650 CD GLU A 40 -1.910 -10.813 -1.131 1.00 0.00 C ATOM 651 OE1 GLU A 40 -2.266 -11.808 -1.812 1.00 0.00 O ATOM 652 OE2 GLU A 40 -1.002 -10.047 -1.515 1.00 0.00 O ATOM 0 H GLU A 40 -3.347 -9.735 3.108 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.560 -12.564 2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.094 -11.006 1.724 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.724 -12.418 0.900 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.644 -10.723 0.135 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.430 -9.512 0.498 1.00 0.00 H new ATOM 659 N GLU A 41 -1.194 -12.722 3.868 1.00 0.00 N ATOM 660 CA GLU A 41 -0.473 -13.082 5.093 1.00 0.00 C ATOM 661 C GLU A 41 1.037 -12.960 4.894 1.00 0.00 C ATOM 662 O GLU A 41 1.548 -13.626 3.997 1.00 0.00 O ATOM 663 CB GLU A 41 -0.844 -14.524 5.486 1.00 0.00 C ATOM 664 CG GLU A 41 -2.133 -14.603 6.306 1.00 0.00 C ATOM 665 CD GLU A 41 -1.921 -13.961 7.672 1.00 0.00 C ATOM 666 OE1 GLU A 41 -1.475 -14.684 8.587 1.00 0.00 O ATOM 667 OE2 GLU A 41 -2.175 -12.739 7.830 1.00 0.00 O ATOM 0 H GLU A 41 -0.731 -13.048 3.020 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.760 -12.396 5.890 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.956 -15.124 4.583 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.027 -14.961 6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.941 -14.097 5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.434 -15.644 6.427 1.00 0.00 H new ATOM 674 N LEU A 42 1.726 -12.145 5.715 1.00 0.00 N ATOM 675 CA LEU A 42 3.180 -11.885 5.795 1.00 0.00 C ATOM 676 C LEU A 42 3.429 -10.763 6.833 1.00 0.00 C ATOM 677 O LEU A 42 2.542 -10.484 7.636 1.00 0.00 O ATOM 678 CB LEU A 42 3.807 -11.517 4.431 1.00 0.00 C ATOM 679 CG LEU A 42 4.934 -12.425 3.907 1.00 0.00 C ATOM 680 CD1 LEU A 42 6.087 -12.571 4.903 1.00 0.00 C ATOM 681 CD2 LEU A 42 4.428 -13.783 3.433 1.00 0.00 C ATOM 0 H LEU A 42 1.227 -11.593 6.413 1.00 0.00 H new ATOM 0 HA LEU A 42 3.669 -12.808 6.107 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.011 -11.502 3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.197 -10.501 4.501 1.00 0.00 H new ATOM 0 HG LEU A 42 5.334 -11.915 3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.853 -13.222 4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.517 -11.591 5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.714 -13.005 5.831 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.267 -14.379 3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.943 -14.300 4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.712 -13.642 2.624 1.00 0.00 H new ATOM 693 N GLU A 43 4.564 -10.051 6.786 1.00 0.00 N ATOM 694 CA GLU A 43 5.019 -9.050 7.743 1.00 0.00 C ATOM 695 C GLU A 43 5.542 -7.841 6.968 1.00 0.00 C ATOM 696 O GLU A 43 5.958 -7.960 5.823 1.00 0.00 O ATOM 697 CB GLU A 43 6.148 -9.620 8.631 1.00 0.00 C ATOM 698 CG GLU A 43 7.303 -10.298 7.857 1.00 0.00 C ATOM 699 CD GLU A 43 8.700 -9.843 8.292 1.00 0.00 C ATOM 700 OE1 GLU A 43 9.187 -8.807 7.778 1.00 0.00 O ATOM 701 OE2 GLU A 43 9.410 -10.556 9.030 1.00 0.00 O ATOM 0 H GLU A 43 5.230 -10.173 6.023 1.00 0.00 H new ATOM 0 HA GLU A 43 4.188 -8.761 8.386 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.560 -8.811 9.235 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.717 -10.345 9.321 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.228 -11.378 7.986 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.181 -10.095 6.793 1.00 0.00 H new ATOM 708 N THR A 44 5.608 -6.686 7.603 1.00 0.00 N ATOM 709 CA THR A 44 6.262 -5.448 7.167 1.00 0.00 C ATOM 710 C THR A 44 6.659 -4.645 8.396 1.00 0.00 C ATOM 711 O THR A 44 5.811 -4.389 9.250 1.00 0.00 O ATOM 712 CB THR A 44 5.346 -4.634 6.267 1.00 0.00 C ATOM 713 OG1 THR A 44 6.003 -3.474 5.816 1.00 0.00 O ATOM 714 CG2 THR A 44 4.015 -4.248 6.928 1.00 0.00 C ATOM 0 H THR A 44 5.170 -6.571 8.517 1.00 0.00 H new ATOM 0 HA THR A 44 7.151 -5.695 6.587 1.00 0.00 H new ATOM 0 HB THR A 44 5.103 -5.282 5.425 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.708 -2.704 6.346 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.415 -3.669 6.226 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.474 -5.151 7.210 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.211 -3.649 7.818 1.00 0.00 H new ATOM 722 N PRO A 45 7.913 -4.183 8.464 1.00 0.00 N ATOM 723 CA PRO A 45 8.280 -3.169 9.420 1.00 0.00 C ATOM 724 C PRO A 45 8.057 -1.753 8.846 1.00 0.00 C ATOM 725 O PRO A 45 8.205 -0.761 9.556 1.00 0.00 O ATOM 726 CB PRO A 45 9.746 -3.477 9.669 1.00 0.00 C ATOM 727 CG PRO A 45 10.274 -3.922 8.306 1.00 0.00 C ATOM 728 CD PRO A 45 9.048 -4.479 7.598 1.00 0.00 C ATOM 0 HA PRO A 45 7.686 -3.180 10.334 1.00 0.00 H new ATOM 0 HB2 PRO A 45 10.280 -2.600 10.036 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.867 -4.260 10.418 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.708 -3.088 7.755 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.053 -4.677 8.407 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.921 -4.019 6.618 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.145 -5.552 7.436 1.00 0.00 H new ATOM 736 N ALA A 46 7.752 -1.656 7.545 1.00 0.00 N ATOM 737 CA ALA A 46 7.489 -0.434 6.805 1.00 0.00 C ATOM 738 C ALA A 46 6.066 0.038 7.065 1.00 0.00 C ATOM 739 O ALA A 46 5.216 -0.758 7.483 1.00 0.00 O ATOM 740 CB ALA A 46 7.687 -0.686 5.304 1.00 0.00 C ATOM 0 H ALA A 46 7.680 -2.484 6.954 1.00 0.00 H new ATOM 0 HA ALA A 46 8.183 0.338 7.136 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.489 0.233 4.752 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.713 -1.006 5.121 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.000 -1.464 4.972 1.00 0.00 H new ATOM 746 N LYS A 47 5.761 1.277 6.672 1.00 0.00 N ATOM 747 CA LYS A 47 4.410 1.793 6.815 1.00 0.00 C ATOM 748 C LYS A 47 3.569 1.205 5.707 1.00 0.00 C ATOM 749 O LYS A 47 4.056 1.029 4.588 1.00 0.00 O ATOM 750 CB LYS A 47 4.391 3.299 6.584 1.00 0.00 C ATOM 751 CG LYS A 47 4.669 4.118 7.836 1.00 0.00 C ATOM 752 CD LYS A 47 4.305 5.550 7.584 1.00 0.00 C ATOM 753 CE LYS A 47 4.206 6.433 8.818 1.00 0.00 C ATOM 754 NZ LYS A 47 2.940 7.188 8.938 1.00 0.00 N ATOM 0 H LYS A 47 6.426 1.930 6.258 1.00 0.00 H new ATOM 0 HA LYS A 47 4.045 1.546 7.812 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.133 3.550 5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.418 3.583 6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.093 3.727 8.675 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.722 4.041 8.108 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.046 5.981 6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.348 5.576 7.064 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.327 5.810 9.704 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.035 7.140 8.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.885 7.626 9.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.907 7.929 8.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.136 6.541 8.810 1.00 0.00 H new ATOM 768 N VAL A 48 2.304 0.956 6.016 1.00 0.00 N ATOM 769 CA VAL A 48 1.369 0.296 5.147 1.00 0.00 C ATOM 770 C VAL A 48 0.042 0.932 5.495 1.00 0.00 C ATOM 771 O VAL A 48 -0.396 0.886 6.640 1.00 0.00 O ATOM 772 CB VAL A 48 1.422 -1.222 5.394 1.00 0.00 C ATOM 773 CG1 VAL A 48 0.222 -1.928 4.748 1.00 0.00 C ATOM 774 CG2 VAL A 48 2.767 -1.746 4.850 1.00 0.00 C ATOM 0 H VAL A 48 1.897 1.222 6.913 1.00 0.00 H new ATOM 0 HA VAL A 48 1.575 0.410 4.083 1.00 0.00 H new ATOM 0 HB VAL A 48 1.358 -1.435 6.461 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.285 -2.999 4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.702 -1.537 5.174 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.230 -1.749 3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.831 -2.822 5.013 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.835 -1.536 3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.587 -1.251 5.370 1.00 0.00 H new ATOM 784 N TYR A 49 -0.539 1.595 4.510 1.00 0.00 N ATOM 785 CA TYR A 49 -1.827 2.250 4.559 1.00 0.00 C ATOM 786 C TYR A 49 -2.471 1.964 3.195 1.00 0.00 C ATOM 787 O TYR A 49 -1.769 1.574 2.264 1.00 0.00 O ATOM 788 CB TYR A 49 -1.612 3.752 4.803 1.00 0.00 C ATOM 789 CG TYR A 49 -0.924 4.167 6.111 1.00 0.00 C ATOM 790 CD1 TYR A 49 0.472 4.042 6.290 1.00 0.00 C ATOM 791 CD2 TYR A 49 -1.691 4.684 7.177 1.00 0.00 C ATOM 792 CE1 TYR A 49 1.052 4.373 7.526 1.00 0.00 C ATOM 793 CE2 TYR A 49 -1.105 5.053 8.399 1.00 0.00 C ATOM 794 CZ TYR A 49 0.280 4.904 8.572 1.00 0.00 C ATOM 795 OH TYR A 49 0.890 5.312 9.717 1.00 0.00 O ATOM 0 H TYR A 49 -0.092 1.694 3.599 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.471 1.894 5.363 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.024 4.146 3.974 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.585 4.241 4.765 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.092 3.693 5.478 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.757 4.799 7.050 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.110 4.216 7.674 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.715 5.448 9.198 1.00 0.00 H new ATOM 0 HH TYR A 49 0.217 5.656 10.341 1.00 0.00 H new ATOM 805 N ALA A 50 -3.780 2.118 3.034 1.00 0.00 N ATOM 806 CA ALA A 50 -4.478 1.820 1.783 1.00 0.00 C ATOM 807 C ALA A 50 -5.467 2.948 1.486 1.00 0.00 C ATOM 808 O ALA A 50 -5.958 3.595 2.414 1.00 0.00 O ATOM 809 CB ALA A 50 -5.192 0.494 1.954 1.00 0.00 C ATOM 0 H ALA A 50 -4.395 2.456 3.774 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.784 1.748 0.945 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.723 0.245 1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.463 -0.286 2.175 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.905 0.568 2.776 1.00 0.00 H new ATOM 815 N ILE A 51 -5.754 3.205 0.210 1.00 0.00 N ATOM 816 CA ILE A 51 -6.667 4.262 -0.197 1.00 0.00 C ATOM 817 C ILE A 51 -8.099 3.781 -0.033 1.00 0.00 C ATOM 818 O ILE A 51 -8.580 2.920 -0.771 1.00 0.00 O ATOM 819 CB ILE A 51 -6.354 4.752 -1.631 1.00 0.00 C ATOM 820 CG1 ILE A 51 -4.986 5.452 -1.748 1.00 0.00 C ATOM 821 CG2 ILE A 51 -7.459 5.681 -2.176 1.00 0.00 C ATOM 822 CD1 ILE A 51 -4.743 6.677 -0.857 1.00 0.00 C ATOM 0 H ILE A 51 -5.356 2.682 -0.570 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.532 5.131 0.448 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.316 3.848 -2.239 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.211 4.717 -1.529 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.851 5.758 -2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.200 6.002 -3.185 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.407 5.144 -2.199 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.552 6.554 -1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.743 7.069 -1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.482 7.445 -1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.832 6.388 0.190 1.00 0.00 H new ATOM 834 N LYS A 52 -8.781 4.458 0.889 1.00 0.00 N ATOM 835 CA LYS A 52 -10.193 4.373 1.179 1.00 0.00 C ATOM 836 C LYS A 52 -11.022 4.408 -0.104 1.00 0.00 C ATOM 837 O LYS A 52 -11.693 3.433 -0.408 1.00 0.00 O ATOM 838 CB LYS A 52 -10.556 5.481 2.186 1.00 0.00 C ATOM 839 CG LYS A 52 -12.053 5.479 2.505 1.00 0.00 C ATOM 840 CD LYS A 52 -12.386 6.061 3.879 1.00 0.00 C ATOM 841 CE LYS A 52 -12.241 7.571 3.999 1.00 0.00 C ATOM 842 NZ LYS A 52 -12.736 8.025 5.313 1.00 0.00 N ATOM 0 H LYS A 52 -8.314 5.132 1.496 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.432 3.415 1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.987 5.340 3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.271 6.451 1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -12.580 6.050 1.740 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.426 4.456 2.453 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.411 5.790 4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.740 5.591 4.621 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.196 7.855 3.878 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.799 8.062 3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.633 9.057 5.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.739 7.770 5.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.185 7.568 6.068 1.00 0.00 H new ATOM 856 N ASP A 53 -10.977 5.510 -0.858 1.00 0.00 N ATOM 857 CA ASP A 53 -11.793 5.721 -2.062 1.00 0.00 C ATOM 858 C ASP A 53 -11.684 4.538 -3.014 1.00 0.00 C ATOM 859 O ASP A 53 -12.685 3.920 -3.361 1.00 0.00 O ATOM 860 CB ASP A 53 -11.335 6.985 -2.815 1.00 0.00 C ATOM 861 CG ASP A 53 -11.945 8.271 -2.283 1.00 0.00 C ATOM 862 OD1 ASP A 53 -11.569 8.682 -1.163 1.00 0.00 O ATOM 863 OD2 ASP A 53 -12.733 8.927 -3.006 1.00 0.00 O ATOM 0 H ASP A 53 -10.362 6.296 -0.647 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.826 5.833 -1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.249 7.058 -2.757 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.591 6.881 -3.869 1.00 0.00 H new ATOM 868 N ASP A 54 -10.466 4.203 -3.433 1.00 0.00 N ATOM 869 CA ASP A 54 -10.214 3.117 -4.357 1.00 0.00 C ATOM 870 C ASP A 54 -10.738 1.778 -3.849 1.00 0.00 C ATOM 871 O ASP A 54 -11.276 1.016 -4.646 1.00 0.00 O ATOM 872 CB ASP A 54 -8.714 3.018 -4.606 1.00 0.00 C ATOM 873 CG ASP A 54 -8.276 3.880 -5.787 1.00 0.00 C ATOM 874 OD1 ASP A 54 -8.874 3.747 -6.875 1.00 0.00 O ATOM 875 OD2 ASP A 54 -7.272 4.614 -5.648 1.00 0.00 O ATOM 0 H ASP A 54 -9.621 4.688 -3.133 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.748 3.338 -5.281 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.176 3.328 -3.710 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.445 1.979 -4.795 1.00 0.00 H new ATOM 880 N PHE A 55 -10.595 1.489 -2.551 1.00 0.00 N ATOM 881 CA PHE A 55 -11.061 0.267 -1.890 1.00 0.00 C ATOM 882 C PHE A 55 -12.580 0.178 -1.892 1.00 0.00 C ATOM 883 O PHE A 55 -13.150 -0.876 -2.157 1.00 0.00 O ATOM 884 CB PHE A 55 -10.557 0.300 -0.445 1.00 0.00 C ATOM 885 CG PHE A 55 -10.693 -0.955 0.398 1.00 0.00 C ATOM 886 CD1 PHE A 55 -10.234 -2.199 -0.066 1.00 0.00 C ATOM 887 CD2 PHE A 55 -11.145 -0.855 1.726 1.00 0.00 C ATOM 888 CE1 PHE A 55 -10.218 -3.320 0.775 1.00 0.00 C ATOM 889 CE2 PHE A 55 -11.211 -1.995 2.544 1.00 0.00 C ATOM 890 CZ PHE A 55 -10.748 -3.231 2.067 1.00 0.00 C ATOM 0 H PHE A 55 -10.131 2.128 -1.906 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.678 -0.602 -2.426 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.502 0.571 -0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -11.081 1.104 0.071 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.889 -2.293 -1.085 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.444 0.105 2.120 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.797 -4.251 0.426 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -11.619 -1.920 3.541 1.00 0.00 H new ATOM 0 HZ PHE A 55 -10.800 -4.109 2.694 1.00 0.00 H new ATOM 900 N LEU A 56 -13.236 1.298 -1.616 1.00 0.00 N ATOM 901 CA LEU A 56 -14.681 1.443 -1.647 1.00 0.00 C ATOM 902 C LEU A 56 -15.178 1.283 -3.073 1.00 0.00 C ATOM 903 O LEU A 56 -16.207 0.645 -3.308 1.00 0.00 O ATOM 904 CB LEU A 56 -15.030 2.829 -1.100 1.00 0.00 C ATOM 905 CG LEU A 56 -14.742 2.953 0.405 1.00 0.00 C ATOM 906 CD1 LEU A 56 -14.807 4.436 0.753 1.00 0.00 C ATOM 907 CD2 LEU A 56 -15.768 2.218 1.276 1.00 0.00 C ATOM 0 H LEU A 56 -12.757 2.160 -1.355 1.00 0.00 H new ATOM 0 HA LEU A 56 -15.161 0.679 -1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.459 3.584 -1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -16.085 3.034 -1.284 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.768 2.506 0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -14.608 4.569 1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -14.061 4.979 0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -15.799 4.822 0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -15.509 2.344 2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.761 2.630 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.764 1.157 1.026 1.00 0.00 H new ATOM 919 N ALA A 57 -14.428 1.801 -4.047 1.00 0.00 N ATOM 920 CA ALA A 57 -14.715 1.573 -5.448 1.00 0.00 C ATOM 921 C ALA A 57 -14.509 0.092 -5.795 1.00 0.00 C ATOM 922 O ALA A 57 -15.151 -0.417 -6.716 1.00 0.00 O ATOM 923 CB ALA A 57 -13.874 2.498 -6.337 1.00 0.00 C ATOM 0 H ALA A 57 -13.610 2.387 -3.879 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.760 1.816 -5.640 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -14.108 2.307 -7.384 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.100 3.537 -6.098 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.815 2.308 -6.161 1.00 0.00 H new ATOM 929 N ARG A 58 -13.687 -0.629 -5.024 1.00 0.00 N ATOM 930 CA ARG A 58 -13.395 -2.048 -5.206 1.00 0.00 C ATOM 931 C ARG A 58 -14.238 -2.900 -4.250 1.00 0.00 C ATOM 932 O ARG A 58 -13.804 -3.995 -3.914 1.00 0.00 O ATOM 933 CB ARG A 58 -11.880 -2.224 -4.912 1.00 0.00 C ATOM 934 CG ARG A 58 -11.010 -2.566 -6.122 1.00 0.00 C ATOM 935 CD ARG A 58 -10.795 -4.067 -6.324 1.00 0.00 C ATOM 936 NE ARG A 58 -11.924 -4.683 -7.040 1.00 0.00 N ATOM 937 CZ ARG A 58 -12.789 -5.636 -6.668 1.00 0.00 C ATOM 938 NH1 ARG A 58 -12.888 -6.065 -5.416 1.00 0.00 N ATOM 939 NH2 ARG A 58 -13.570 -6.140 -7.612 1.00 0.00 N ATOM 0 H ARG A 58 -13.192 -0.223 -4.230 1.00 0.00 H new ATOM 0 HA ARG A 58 -13.638 -2.375 -6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.505 -1.303 -4.466 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.761 -3.011 -4.167 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -11.471 -2.151 -7.018 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.040 -2.082 -6.009 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.875 -4.231 -6.884 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.670 -4.551 -5.355 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.074 -4.322 -7.982 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.291 -5.666 -4.692 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -13.561 -6.793 -5.178 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.496 -5.800 -8.571 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.246 -6.868 -7.380 1.00 0.00 H new ATOM 953 N GLY A 59 -15.486 -2.516 -3.983 1.00 0.00 N ATOM 954 CA GLY A 59 -16.470 -3.340 -3.292 1.00 0.00 C ATOM 955 C GLY A 59 -15.944 -4.076 -2.060 1.00 0.00 C ATOM 956 O GLY A 59 -16.044 -5.301 -1.989 1.00 0.00 O ATOM 0 H GLY A 59 -15.847 -1.600 -4.249 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -17.304 -2.707 -2.990 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.865 -4.074 -3.994 1.00 0.00 H new ATOM 960 N TYR A 60 -15.428 -3.325 -1.090 1.00 0.00 N ATOM 961 CA TYR A 60 -15.153 -3.751 0.268 1.00 0.00 C ATOM 962 C TYR A 60 -16.005 -2.883 1.204 1.00 0.00 C ATOM 963 O TYR A 60 -16.883 -2.152 0.730 1.00 0.00 O ATOM 964 CB TYR A 60 -13.651 -3.590 0.500 1.00 0.00 C ATOM 965 CG TYR A 60 -12.775 -4.593 -0.228 1.00 0.00 C ATOM 966 CD1 TYR A 60 -12.426 -5.815 0.377 1.00 0.00 C ATOM 967 CD2 TYR A 60 -12.231 -4.261 -1.482 1.00 0.00 C ATOM 968 CE1 TYR A 60 -11.600 -6.723 -0.308 1.00 0.00 C ATOM 969 CE2 TYR A 60 -11.373 -5.147 -2.158 1.00 0.00 C ATOM 970 CZ TYR A 60 -11.064 -6.387 -1.573 1.00 0.00 C ATOM 971 OH TYR A 60 -10.235 -7.232 -2.239 1.00 0.00 O ATOM 0 H TYR A 60 -15.179 -2.348 -1.246 1.00 0.00 H new ATOM 0 HA TYR A 60 -15.410 -4.793 0.457 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -13.358 -2.586 0.194 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.454 -3.668 1.569 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.792 -6.054 1.365 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -12.476 -3.311 -1.933 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -11.374 -7.682 0.134 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -10.956 -4.877 -3.117 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.971 -6.827 -3.091 1.00 0.00 H new ATOM 981 N SER A 61 -15.810 -2.988 2.517 1.00 0.00 N ATOM 982 CA SER A 61 -16.267 -2.010 3.489 1.00 0.00 C ATOM 983 C SER A 61 -15.101 -1.631 4.419 1.00 0.00 C ATOM 984 O SER A 61 -13.979 -2.117 4.246 1.00 0.00 O ATOM 985 CB SER A 61 -17.536 -2.517 4.190 1.00 0.00 C ATOM 986 OG SER A 61 -18.226 -1.467 4.847 1.00 0.00 O ATOM 0 H SER A 61 -15.318 -3.775 2.939 1.00 0.00 H new ATOM 0 HA SER A 61 -16.569 -1.080 3.008 1.00 0.00 H new ATOM 0 HB2 SER A 61 -18.195 -2.983 3.458 1.00 0.00 H new ATOM 0 HB3 SER A 61 -17.269 -3.287 4.914 1.00 0.00 H new ATOM 0 HG SER A 61 -19.029 -1.824 5.281 1.00 0.00 H new ATOM 992 N GLU A 62 -15.307 -0.687 5.339 1.00 0.00 N ATOM 993 CA GLU A 62 -14.257 0.069 6.010 1.00 0.00 C ATOM 994 C GLU A 62 -13.521 -0.776 7.051 1.00 0.00 C ATOM 995 O GLU A 62 -12.428 -0.424 7.498 1.00 0.00 O ATOM 996 CB GLU A 62 -14.848 1.328 6.671 1.00 0.00 C ATOM 997 CG GLU A 62 -15.882 2.072 5.798 1.00 0.00 C ATOM 998 CD GLU A 62 -15.971 3.558 6.134 1.00 0.00 C ATOM 999 OE1 GLU A 62 -16.471 3.957 7.205 1.00 0.00 O ATOM 1000 OE2 GLU A 62 -15.462 4.369 5.316 1.00 0.00 O ATOM 0 H GLU A 62 -16.243 -0.421 5.645 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.531 0.365 5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.320 1.044 7.612 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.036 2.012 6.916 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.616 1.956 4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.862 1.614 5.931 1.00 0.00 H new ATOM 1007 N GLU A 63 -14.095 -1.914 7.432 1.00 0.00 N ATOM 1008 CA GLU A 63 -13.506 -2.811 8.408 1.00 0.00 C ATOM 1009 C GLU A 63 -12.836 -4.019 7.747 1.00 0.00 C ATOM 1010 O GLU A 63 -12.259 -4.853 8.446 1.00 0.00 O ATOM 1011 CB GLU A 63 -14.570 -3.218 9.438 1.00 0.00 C ATOM 1012 CG GLU A 63 -14.170 -2.717 10.830 1.00 0.00 C ATOM 1013 CD GLU A 63 -14.958 -3.447 11.902 1.00 0.00 C ATOM 1014 OE1 GLU A 63 -16.067 -2.983 12.264 1.00 0.00 O ATOM 1015 OE2 GLU A 63 -14.443 -4.486 12.363 1.00 0.00 O ATOM 0 H GLU A 63 -14.990 -2.238 7.065 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.708 -2.285 8.932 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.538 -2.803 9.157 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.680 -4.302 9.450 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.102 -2.871 10.986 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.351 -1.645 10.903 1.00 0.00 H new ATOM 1022 N ASP A 64 -12.914 -4.115 6.416 1.00 0.00 N ATOM 1023 CA ASP A 64 -12.573 -5.321 5.666 1.00 0.00 C ATOM 1024 C ASP A 64 -11.081 -5.342 5.333 1.00 0.00 C ATOM 1025 O ASP A 64 -10.531 -6.399 5.012 1.00 0.00 O ATOM 1026 CB ASP A 64 -13.348 -5.375 4.337 1.00 0.00 C ATOM 1027 CG ASP A 64 -14.876 -5.412 4.417 1.00 0.00 C ATOM 1028 OD1 ASP A 64 -15.470 -5.101 5.475 1.00 0.00 O ATOM 1029 OD2 ASP A 64 -15.475 -5.654 3.346 1.00 0.00 O ATOM 0 H ASP A 64 -13.221 -3.344 5.823 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.836 -6.175 6.290 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.062 -4.506 3.744 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.017 -6.257 3.789 1.00 0.00 H new ATOM 1034 N SER A 65 -10.432 -4.173 5.352 1.00 0.00 N ATOM 1035 CA SER A 65 -9.009 -4.025 5.095 1.00 0.00 C ATOM 1036 C SER A 65 -8.270 -4.331 6.390 1.00 0.00 C ATOM 1037 O SER A 65 -8.560 -3.707 7.413 1.00 0.00 O ATOM 1038 CB SER A 65 -8.695 -2.571 4.706 1.00 0.00 C ATOM 1039 OG SER A 65 -8.149 -2.469 3.405 1.00 0.00 O ATOM 0 H SER A 65 -10.898 -3.288 5.552 1.00 0.00 H new ATOM 0 HA SER A 65 -8.708 -4.694 4.289 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.607 -1.977 4.762 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.994 -2.148 5.426 1.00 0.00 H new ATOM 0 HG SER A 65 -8.874 -2.462 2.746 1.00 0.00 H new ATOM 1045 N LYS A 66 -7.251 -5.190 6.353 1.00 0.00 N ATOM 1046 CA LYS A 66 -6.399 -5.402 7.523 1.00 0.00 C ATOM 1047 C LYS A 66 -5.252 -4.389 7.591 1.00 0.00 C ATOM 1048 O LYS A 66 -4.145 -4.760 7.982 1.00 0.00 O ATOM 1049 CB LYS A 66 -5.946 -6.873 7.573 1.00 0.00 C ATOM 1050 CG LYS A 66 -5.004 -7.344 6.451 1.00 0.00 C ATOM 1051 CD LYS A 66 -3.965 -8.325 6.982 1.00 0.00 C ATOM 1052 CE LYS A 66 -2.946 -8.770 5.926 1.00 0.00 C ATOM 1053 NZ LYS A 66 -2.029 -9.761 6.525 1.00 0.00 N ATOM 0 H LYS A 66 -6.997 -5.745 5.535 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.976 -5.215 8.429 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.450 -7.044 8.528 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.835 -7.504 7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.585 -7.818 5.659 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.503 -6.484 6.008 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.435 -7.864 7.815 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.475 -9.204 7.376 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.459 -9.204 5.068 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.384 -7.911 5.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.055 -9.397 6.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.302 -9.934 7.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.083 -10.651 5.990 1.00 0.00 H new ATOM 1067 N VAL A 67 -5.489 -3.124 7.232 1.00 0.00 N ATOM 1068 CA VAL A 67 -4.532 -2.011 7.294 1.00 0.00 C ATOM 1069 C VAL A 67 -5.344 -0.716 7.493 1.00 0.00 C ATOM 1070 O VAL A 67 -6.573 -0.743 7.361 1.00 0.00 O ATOM 1071 CB VAL A 67 -3.599 -1.970 6.047 1.00 0.00 C ATOM 1072 CG1 VAL A 67 -3.138 -3.335 5.511 1.00 0.00 C ATOM 1073 CG2 VAL A 67 -4.134 -1.110 4.889 1.00 0.00 C ATOM 0 H VAL A 67 -6.398 -2.832 6.872 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.850 -2.139 8.134 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.714 -1.484 6.459 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.494 -3.187 4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.585 -3.863 6.288 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.008 -3.925 5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.426 -1.134 4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.095 -1.504 4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.261 -0.082 5.228 1.00 0.00 H new ATOM 1083 N PRO A 68 -4.704 0.422 7.809 1.00 0.00 N ATOM 1084 CA PRO A 68 -5.366 1.710 7.958 1.00 0.00 C ATOM 1085 C PRO A 68 -5.774 2.279 6.606 1.00 0.00 C ATOM 1086 O PRO A 68 -4.944 2.512 5.721 1.00 0.00 O ATOM 1087 CB PRO A 68 -4.385 2.592 8.728 1.00 0.00 C ATOM 1088 CG PRO A 68 -3.022 1.998 8.396 1.00 0.00 C ATOM 1089 CD PRO A 68 -3.284 0.551 8.058 1.00 0.00 C ATOM 0 HA PRO A 68 -6.304 1.635 8.508 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.454 3.634 8.415 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.582 2.567 9.800 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -2.560 2.519 7.557 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.339 2.086 9.241 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.710 0.250 7.181 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.976 -0.098 8.878 1.00 0.00 H new ATOM 1097 N LEU A 69 -7.081 2.487 6.474 1.00 0.00 N ATOM 1098 CA LEU A 69 -7.719 3.145 5.354 1.00 0.00 C ATOM 1099 C LEU A 69 -7.567 4.643 5.540 1.00 0.00 C ATOM 1100 O LEU A 69 -8.038 5.213 6.523 1.00 0.00 O ATOM 1101 CB LEU A 69 -9.207 2.760 5.313 1.00 0.00 C ATOM 1102 CG LEU A 69 -9.520 1.268 5.154 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -11.029 1.008 5.150 1.00 0.00 C ATOM 1104 CD2 LEU A 69 -8.917 0.780 3.853 1.00 0.00 C ATOM 0 H LEU A 69 -7.750 2.184 7.182 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.258 2.840 4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.676 3.112 6.232 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.677 3.297 4.489 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.092 0.730 6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.214 -0.060 5.036 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.460 1.352 6.090 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.489 1.547 4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.133 -0.281 3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.346 1.338 3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.838 0.931 3.873 1.00 0.00 H new ATOM 1116 N ILE A 70 -6.876 5.257 4.591 1.00 0.00 N ATOM 1117 CA ILE A 70 -6.582 6.683 4.526 1.00 0.00 C ATOM 1118 C ILE A 70 -7.136 7.262 3.220 1.00 0.00 C ATOM 1119 O ILE A 70 -7.596 6.506 2.364 1.00 0.00 O ATOM 1120 CB ILE A 70 -5.064 6.904 4.695 1.00 0.00 C ATOM 1121 CG1 ILE A 70 -4.252 6.546 3.424 1.00 0.00 C ATOM 1122 CG2 ILE A 70 -4.556 6.176 5.953 1.00 0.00 C ATOM 1123 CD1 ILE A 70 -2.757 6.865 3.489 1.00 0.00 C ATOM 0 H ILE A 70 -6.483 4.746 3.801 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.072 7.216 5.340 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.900 7.972 4.837 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.371 5.481 3.226 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.683 7.078 2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.484 6.340 6.060 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.072 6.564 6.831 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.752 5.108 5.859 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.282 6.576 2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.620 7.934 3.651 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.302 6.312 4.311 1.00 0.00 H new ATOM 1135 N THR A 71 -7.064 8.576 3.022 1.00 0.00 N ATOM 1136 CA THR A 71 -7.442 9.197 1.757 1.00 0.00 C ATOM 1137 C THR A 71 -6.197 9.655 0.997 1.00 0.00 C ATOM 1138 O THR A 71 -5.084 9.649 1.529 1.00 0.00 O ATOM 1139 CB THR A 71 -8.470 10.324 1.977 1.00 0.00 C ATOM 1140 OG1 THR A 71 -8.482 10.837 3.295 1.00 0.00 O ATOM 1141 CG2 THR A 71 -9.889 9.778 1.802 1.00 0.00 C ATOM 0 H THR A 71 -6.744 9.236 3.730 1.00 0.00 H new ATOM 0 HA THR A 71 -7.939 8.457 1.130 1.00 0.00 H new ATOM 0 HB THR A 71 -8.185 11.094 1.260 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.154 11.547 3.363 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.610 10.581 1.959 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.004 9.379 0.794 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.066 8.985 2.528 1.00 0.00 H new ATOM 1149 N TYR A 72 -6.381 10.072 -0.256 1.00 0.00 N ATOM 1150 CA TYR A 72 -5.297 10.464 -1.145 1.00 0.00 C ATOM 1151 C TYR A 72 -4.342 11.498 -0.536 1.00 0.00 C ATOM 1152 O TYR A 72 -3.144 11.416 -0.787 1.00 0.00 O ATOM 1153 CB TYR A 72 -5.886 10.982 -2.465 1.00 0.00 C ATOM 1154 CG TYR A 72 -6.423 9.940 -3.444 1.00 0.00 C ATOM 1155 CD1 TYR A 72 -5.773 8.705 -3.641 1.00 0.00 C ATOM 1156 CD2 TYR A 72 -7.564 10.236 -4.214 1.00 0.00 C ATOM 1157 CE1 TYR A 72 -6.294 7.758 -4.540 1.00 0.00 C ATOM 1158 CE2 TYR A 72 -8.095 9.294 -5.115 1.00 0.00 C ATOM 1159 CZ TYR A 72 -7.470 8.037 -5.269 1.00 0.00 C ATOM 1160 OH TYR A 72 -7.990 7.116 -6.129 1.00 0.00 O ATOM 0 H TYR A 72 -7.304 10.147 -0.685 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.692 9.575 -1.322 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.696 11.671 -2.226 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.116 11.560 -2.975 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.867 8.484 -3.097 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -8.039 11.201 -4.112 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.791 6.811 -4.674 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.979 9.532 -5.688 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.500 6.272 -6.040 1.00 0.00 H new ATOM 1170 N SER A 73 -4.814 12.450 0.273 1.00 0.00 N ATOM 1171 CA SER A 73 -3.898 13.452 0.802 1.00 0.00 C ATOM 1172 C SER A 73 -2.997 12.883 1.898 1.00 0.00 C ATOM 1173 O SER A 73 -1.828 13.259 1.994 1.00 0.00 O ATOM 1174 CB SER A 73 -4.664 14.699 1.223 1.00 0.00 C ATOM 1175 OG SER A 73 -5.421 14.586 2.409 1.00 0.00 O ATOM 0 H SER A 73 -5.787 12.545 0.565 1.00 0.00 H new ATOM 0 HA SER A 73 -3.215 13.755 0.008 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.952 15.515 1.346 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.335 14.981 0.412 1.00 0.00 H new ATOM 0 HG SER A 73 -5.871 15.437 2.592 1.00 0.00 H new ATOM 1181 N GLU A 74 -3.512 11.948 2.697 1.00 0.00 N ATOM 1182 CA GLU A 74 -2.726 11.240 3.695 1.00 0.00 C ATOM 1183 C GLU A 74 -1.659 10.371 3.026 1.00 0.00 C ATOM 1184 O GLU A 74 -0.620 10.112 3.622 1.00 0.00 O ATOM 1185 CB GLU A 74 -3.642 10.375 4.563 1.00 0.00 C ATOM 1186 CG GLU A 74 -4.366 11.136 5.687 1.00 0.00 C ATOM 1187 CD GLU A 74 -4.055 10.552 7.071 1.00 0.00 C ATOM 1188 OE1 GLU A 74 -4.017 9.314 7.252 1.00 0.00 O ATOM 1189 OE2 GLU A 74 -3.807 11.319 8.030 1.00 0.00 O ATOM 0 H GLU A 74 -4.491 11.663 2.666 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.225 11.974 4.326 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.388 9.903 3.923 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.050 9.574 5.007 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.072 12.185 5.662 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.441 11.102 5.513 1.00 0.00 H new ATOM 1196 N PHE A 75 -1.899 9.916 1.795 1.00 0.00 N ATOM 1197 CA PHE A 75 -0.915 9.190 1.006 1.00 0.00 C ATOM 1198 C PHE A 75 0.237 10.109 0.616 1.00 0.00 C ATOM 1199 O PHE A 75 1.388 9.694 0.710 1.00 0.00 O ATOM 1200 CB PHE A 75 -1.627 8.538 -0.183 1.00 0.00 C ATOM 1201 CG PHE A 75 -0.841 8.209 -1.444 1.00 0.00 C ATOM 1202 CD1 PHE A 75 0.388 7.523 -1.396 1.00 0.00 C ATOM 1203 CD2 PHE A 75 -1.410 8.509 -2.697 1.00 0.00 C ATOM 1204 CE1 PHE A 75 0.996 7.069 -2.580 1.00 0.00 C ATOM 1205 CE2 PHE A 75 -0.798 8.069 -3.882 1.00 0.00 C ATOM 1206 CZ PHE A 75 0.391 7.325 -3.823 1.00 0.00 C ATOM 0 H PHE A 75 -2.791 10.045 1.318 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.458 8.389 1.587 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.074 7.610 0.174 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.447 9.196 -0.472 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.866 7.345 -0.444 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.324 9.082 -2.747 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.927 6.524 -2.534 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.242 8.303 -4.838 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.840 6.950 -4.731 1.00 0.00 H new ATOM 1216 N ILE A 76 -0.024 11.366 0.251 1.00 0.00 N ATOM 1217 CA ILE A 76 1.050 12.293 -0.093 1.00 0.00 C ATOM 1218 C ILE A 76 1.945 12.560 1.127 1.00 0.00 C ATOM 1219 O ILE A 76 3.157 12.712 0.978 1.00 0.00 O ATOM 1220 CB ILE A 76 0.470 13.583 -0.714 1.00 0.00 C ATOM 1221 CG1 ILE A 76 -0.428 13.315 -1.952 1.00 0.00 C ATOM 1222 CG2 ILE A 76 1.616 14.542 -1.080 1.00 0.00 C ATOM 1223 CD1 ILE A 76 0.075 12.271 -2.962 1.00 0.00 C ATOM 0 H ILE A 76 -0.962 11.761 0.187 1.00 0.00 H new ATOM 0 HA ILE A 76 1.689 11.841 -0.852 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.174 14.039 0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.409 12.999 -1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.568 14.258 -2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.204 15.451 -1.518 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.180 14.795 -0.182 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.278 14.060 -1.800 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.642 12.179 -3.777 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.039 12.586 -3.361 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.185 11.307 -2.465 1.00 0.00 H new ATOM 1235 N ASP A 77 1.377 12.571 2.333 1.00 0.00 N ATOM 1236 CA ASP A 77 2.107 12.694 3.600 1.00 0.00 C ATOM 1237 C ASP A 77 3.038 11.526 3.880 1.00 0.00 C ATOM 1238 O ASP A 77 3.959 11.647 4.687 1.00 0.00 O ATOM 1239 CB ASP A 77 1.087 12.903 4.715 1.00 0.00 C ATOM 1240 CG ASP A 77 1.349 12.292 6.104 1.00 0.00 C ATOM 1241 OD1 ASP A 77 2.084 12.888 6.922 1.00 0.00 O ATOM 1242 OD2 ASP A 77 0.639 11.337 6.492 1.00 0.00 O ATOM 0 H ASP A 77 0.368 12.493 2.462 1.00 0.00 H new ATOM 0 HA ASP A 77 2.773 13.555 3.538 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.964 13.978 4.848 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.132 12.514 4.362 1.00 0.00 H new ATOM 1247 N LEU A 78 2.859 10.418 3.166 1.00 0.00 N ATOM 1248 CA LEU A 78 3.731 9.266 3.272 1.00 0.00 C ATOM 1249 C LEU A 78 4.842 9.290 2.205 1.00 0.00 C ATOM 1250 O LEU A 78 5.640 8.357 2.127 1.00 0.00 O ATOM 1251 CB LEU A 78 2.882 7.990 3.156 1.00 0.00 C ATOM 1252 CG LEU A 78 1.924 7.837 4.349 1.00 0.00 C ATOM 1253 CD1 LEU A 78 0.923 6.705 4.128 1.00 0.00 C ATOM 1254 CD2 LEU A 78 2.737 7.544 5.600 1.00 0.00 C ATOM 0 H LEU A 78 2.099 10.300 2.496 1.00 0.00 H new ATOM 0 HA LEU A 78 4.230 9.288 4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.309 8.017 2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.537 7.120 3.101 1.00 0.00 H new ATOM 0 HG LEU A 78 1.365 8.766 4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.264 6.628 4.993 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.330 6.912 3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.460 5.765 3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.066 7.434 6.452 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.301 6.622 5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.428 8.366 5.786 1.00 0.00 H new ATOM 1266 N LEU A 79 4.879 10.324 1.360 1.00 0.00 N ATOM 1267 CA LEU A 79 5.827 10.516 0.268 1.00 0.00 C ATOM 1268 C LEU A 79 6.649 11.750 0.620 1.00 0.00 C ATOM 1269 O LEU A 79 7.814 11.635 0.985 1.00 0.00 O ATOM 1270 CB LEU A 79 5.092 10.693 -1.070 1.00 0.00 C ATOM 1271 CG LEU A 79 4.177 9.526 -1.469 1.00 0.00 C ATOM 1272 CD1 LEU A 79 3.501 9.872 -2.800 1.00 0.00 C ATOM 1273 CD2 LEU A 79 4.945 8.206 -1.565 1.00 0.00 C ATOM 0 H LEU A 79 4.209 11.090 1.426 1.00 0.00 H new ATOM 0 HA LEU A 79 6.473 9.646 0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.494 11.603 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.832 10.840 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 79 3.421 9.384 -0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.846 9.053 -3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.913 10.783 -2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.262 10.027 -3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.261 7.407 -1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.730 8.296 -2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.392 7.974 -0.598 1.00 0.00 H new ATOM 1285 N GLU A 80 6.023 12.930 0.570 1.00 0.00 N ATOM 1286 CA GLU A 80 6.628 14.241 0.769 1.00 0.00 C ATOM 1287 C GLU A 80 7.878 14.417 -0.097 1.00 0.00 C ATOM 1288 O GLU A 80 7.777 14.858 -1.242 1.00 0.00 O ATOM 1289 CB GLU A 80 6.816 14.555 2.261 1.00 0.00 C ATOM 1290 CG GLU A 80 5.482 14.618 3.033 1.00 0.00 C ATOM 1291 CD GLU A 80 5.712 14.990 4.504 1.00 0.00 C ATOM 1292 OE1 GLU A 80 6.756 14.604 5.084 1.00 0.00 O ATOM 1293 OE2 GLU A 80 4.919 15.790 5.046 1.00 0.00 O ATOM 0 H GLU A 80 5.023 12.994 0.378 1.00 0.00 H new ATOM 0 HA GLU A 80 5.937 15.006 0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.454 13.794 2.710 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.335 15.508 2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.823 15.351 2.568 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.978 13.654 2.973 1.00 0.00 H new ATOM 1300 N GLY A 81 9.052 14.123 0.445 1.00 0.00 N ATOM 1301 CA GLY A 81 10.351 14.211 -0.211 1.00 0.00 C ATOM 1302 C GLY A 81 11.026 12.852 -0.379 1.00 0.00 C ATOM 1303 O GLY A 81 12.255 12.774 -0.301 1.00 0.00 O ATOM 0 H GLY A 81 9.128 13.798 1.409 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.227 14.673 -1.191 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.002 14.865 0.370 1.00 0.00 H new ATOM 1307 N GLU A 82 10.259 11.784 -0.590 1.00 0.00 N ATOM 1308 CA GLU A 82 10.714 10.425 -0.823 1.00 0.00 C ATOM 1309 C GLU A 82 10.054 10.008 -2.131 1.00 0.00 C ATOM 1310 O GLU A 82 8.823 10.017 -2.204 1.00 0.00 O ATOM 1311 CB GLU A 82 10.252 9.472 0.302 1.00 0.00 C ATOM 1312 CG GLU A 82 10.937 9.642 1.666 1.00 0.00 C ATOM 1313 CD GLU A 82 12.105 8.669 1.828 1.00 0.00 C ATOM 1314 OE1 GLU A 82 13.201 8.940 1.300 1.00 0.00 O ATOM 1315 OE2 GLU A 82 11.920 7.584 2.429 1.00 0.00 O ATOM 0 H GLU A 82 9.242 11.855 -0.603 1.00 0.00 H new ATOM 0 HA GLU A 82 11.803 10.378 -0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.179 9.602 0.440 1.00 0.00 H new ATOM 0 HB3 GLU A 82 10.408 8.447 -0.033 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.297 10.666 1.769 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.211 9.478 2.462 1.00 0.00 H new ATOM 1322 N GLU A 83 10.825 9.572 -3.131 1.00 0.00 N ATOM 1323 CA GLU A 83 10.274 8.938 -4.324 1.00 0.00 C ATOM 1324 C GLU A 83 10.955 7.594 -4.604 1.00 0.00 C ATOM 1325 O GLU A 83 11.867 7.494 -5.432 1.00 0.00 O ATOM 1326 CB GLU A 83 10.289 9.913 -5.515 1.00 0.00 C ATOM 1327 CG GLU A 83 8.906 10.538 -5.694 1.00 0.00 C ATOM 1328 CD GLU A 83 8.799 11.299 -7.020 1.00 0.00 C ATOM 1329 OE1 GLU A 83 8.661 10.644 -8.082 1.00 0.00 O ATOM 1330 OE2 GLU A 83 8.804 12.554 -7.021 1.00 0.00 O ATOM 0 H GLU A 83 11.842 9.649 -3.134 1.00 0.00 H new ATOM 0 HA GLU A 83 9.225 8.697 -4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.031 10.693 -5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.580 9.386 -6.424 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.146 9.757 -5.659 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.703 11.218 -4.866 1.00 0.00 H new ATOM 1337 N LYS A 84 10.525 6.537 -3.902 1.00 0.00 N ATOM 1338 CA LYS A 84 11.053 5.177 -4.069 1.00 0.00 C ATOM 1339 C LYS A 84 10.150 4.081 -3.492 1.00 0.00 C ATOM 1340 O LYS A 84 10.679 3.045 -3.080 1.00 0.00 O ATOM 1341 CB LYS A 84 12.415 5.151 -3.341 1.00 0.00 C ATOM 1342 CG LYS A 84 12.263 5.430 -1.827 1.00 0.00 C ATOM 1343 CD LYS A 84 13.352 6.345 -1.271 1.00 0.00 C ATOM 1344 CE LYS A 84 13.191 7.748 -1.866 1.00 0.00 C ATOM 1345 NZ LYS A 84 14.105 8.711 -1.216 1.00 0.00 N ATOM 0 H LYS A 84 9.793 6.603 -3.195 1.00 0.00 H new ATOM 0 HA LYS A 84 11.127 4.962 -5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 84 12.886 4.179 -3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.078 5.895 -3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.289 5.883 -1.644 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.282 4.484 -1.286 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.285 6.389 -0.184 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.337 5.946 -1.514 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.392 7.717 -2.937 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.160 8.082 -1.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.312 9.491 -1.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.656 9.090 -0.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.991 8.230 -0.960 1.00 0.00 H new ATOM 1359 N PHE A 85 8.824 4.228 -3.601 1.00 0.00 N ATOM 1360 CA PHE A 85 7.796 3.273 -3.167 1.00 0.00 C ATOM 1361 C PHE A 85 6.439 3.982 -3.204 1.00 0.00 C ATOM 1362 O PHE A 85 5.876 4.363 -2.176 1.00 0.00 O ATOM 1363 CB PHE A 85 8.104 2.603 -1.809 1.00 0.00 C ATOM 1364 CG PHE A 85 8.872 3.409 -0.754 1.00 0.00 C ATOM 1365 CD1 PHE A 85 8.544 4.745 -0.440 1.00 0.00 C ATOM 1366 CD2 PHE A 85 9.952 2.807 -0.082 1.00 0.00 C ATOM 1367 CE1 PHE A 85 9.268 5.457 0.535 1.00 0.00 C ATOM 1368 CE2 PHE A 85 10.686 3.525 0.877 1.00 0.00 C ATOM 1369 CZ PHE A 85 10.345 4.847 1.192 1.00 0.00 C ATOM 0 H PHE A 85 8.416 5.065 -4.018 1.00 0.00 H new ATOM 0 HA PHE A 85 7.780 2.431 -3.859 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.156 2.297 -1.367 1.00 0.00 H new ATOM 0 HB3 PHE A 85 8.670 1.693 -2.009 1.00 0.00 H new ATOM 0 HD1 PHE A 85 7.726 5.228 -0.955 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.219 1.785 -0.305 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.993 6.473 0.777 1.00 0.00 H new ATOM 0 HE2 PHE A 85 11.520 3.054 1.376 1.00 0.00 H new ATOM 0 HZ PHE A 85 10.908 5.392 1.935 1.00 0.00 H new ATOM 1379 N ILE A 86 5.951 4.234 -4.416 1.00 0.00 N ATOM 1380 CA ILE A 86 4.700 4.957 -4.669 1.00 0.00 C ATOM 1381 C ILE A 86 3.665 3.936 -5.174 1.00 0.00 C ATOM 1382 O ILE A 86 4.013 2.774 -5.395 1.00 0.00 O ATOM 1383 CB ILE A 86 4.904 6.135 -5.655 1.00 0.00 C ATOM 1384 CG1 ILE A 86 6.333 6.700 -5.742 1.00 0.00 C ATOM 1385 CG2 ILE A 86 3.965 7.300 -5.311 1.00 0.00 C ATOM 1386 CD1 ILE A 86 6.974 7.211 -4.439 1.00 0.00 C ATOM 0 H ILE A 86 6.422 3.936 -5.270 1.00 0.00 H new ATOM 0 HA ILE A 86 4.338 5.417 -3.750 1.00 0.00 H new ATOM 0 HB ILE A 86 4.680 5.693 -6.626 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.978 5.923 -6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.327 7.521 -6.459 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.125 8.116 -6.015 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.930 6.964 -5.374 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.173 7.648 -4.299 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.978 7.580 -4.648 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.369 8.019 -4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.029 6.396 -3.717 1.00 0.00 H new ATOM 1398 N GLY A 87 2.445 4.365 -5.508 1.00 0.00 N ATOM 1399 CA GLY A 87 1.835 3.772 -6.679 1.00 0.00 C ATOM 1400 C GLY A 87 0.430 4.204 -6.961 1.00 0.00 C ATOM 1401 O GLY A 87 0.089 5.363 -6.641 1.00 0.00 O ATOM 0 H GLY A 87 1.898 5.072 -5.017 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.451 4.008 -7.547 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.848 2.688 -6.565 1.00 0.00 H new