USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 700 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 95 TYR OH : rot -77:sc= 1.23 USER MOD Set 1.2: A 99 GLN : amide:sc= 1.04 K(o=2.3,f=-1.7) USER MOD Set 2.1: A 50 MET CE :methyl 150:sc= 0 (180deg=-0.00158) USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0.00195 USER MOD Single : A 9 LYS NZ :NH3+ 156:sc= 0.646 (180deg=0.348) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0611 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 1.01 K(o=1,f=-3.5!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= 0.678 K(o=0.68,f=-6!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.0856 K(o=0.086,f=-2.3!) USER MOD Single : A 46 TYR OH : rot 0:sc= 0.133 USER MOD Single : A 47 SER OG : rot 142:sc= 1.3 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.0037 X(o=-0.0037,f=-0.46) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.831 K(o=0.83,f=-7!) USER MOD Single : A 67 THR OG1 : rot 96:sc= 1.22 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= 1.23 (180deg=1.14) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -137:sc= 0.775 (180deg=0.0478) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.0824 X(o=-0.082,f=-0.21) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 4.586 -0.237 -3.259 1.00 0.00 N ATOM 30 CA ASP A 3 4.350 -0.644 -4.667 1.00 0.00 C ATOM 31 C ASP A 3 5.463 -0.041 -5.607 1.00 0.00 C ATOM 32 O ASP A 3 5.453 1.179 -5.820 1.00 0.00 O ATOM 33 CB ASP A 3 2.910 -0.195 -5.034 1.00 0.00 C ATOM 34 CG ASP A 3 2.426 -0.698 -6.394 1.00 0.00 C ATOM 35 OD1 ASP A 3 2.840 -0.268 -7.467 1.00 0.00 O ATOM 36 OD2 ASP A 3 1.493 -1.683 -6.284 1.00 0.00 O ATOM 0 HA ASP A 3 4.422 -1.724 -4.799 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.224 -0.547 -4.264 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.867 0.894 -5.025 1.00 0.00 H new ATOM 41 N PRO A 4 6.399 -0.825 -6.223 1.00 0.00 N ATOM 42 CA PRO A 4 7.441 -0.266 -7.135 1.00 0.00 C ATOM 43 C PRO A 4 6.976 0.306 -8.519 1.00 0.00 C ATOM 44 O PRO A 4 7.565 1.280 -8.997 1.00 0.00 O ATOM 45 CB PRO A 4 8.448 -1.429 -7.230 1.00 0.00 C ATOM 46 CG PRO A 4 7.669 -2.706 -6.917 1.00 0.00 C ATOM 47 CD PRO A 4 6.538 -2.276 -5.986 1.00 0.00 C ATOM 0 HA PRO A 4 7.854 0.659 -6.731 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.890 -1.479 -8.225 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.267 -1.291 -6.524 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.277 -3.160 -7.827 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.309 -3.449 -6.441 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.613 -2.806 -6.213 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.779 -2.487 -4.944 1.00 0.00 H new ATOM 55 N ALA A 5 5.910 -0.249 -9.130 1.00 0.00 N ATOM 56 CA ALA A 5 5.235 0.357 -10.314 1.00 0.00 C ATOM 57 C ALA A 5 4.572 1.765 -10.114 1.00 0.00 C ATOM 58 O ALA A 5 4.629 2.590 -11.028 1.00 0.00 O ATOM 59 CB ALA A 5 4.225 -0.686 -10.826 1.00 0.00 C ATOM 0 H ALA A 5 5.488 -1.126 -8.825 1.00 0.00 H new ATOM 0 HA ALA A 5 6.011 0.588 -11.044 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.702 -0.289 -11.696 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.753 -1.598 -11.105 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.504 -0.910 -10.040 1.00 0.00 H new ATOM 65 N ALA A 6 3.990 2.070 -8.939 1.00 0.00 N ATOM 66 CA ALA A 6 3.739 3.472 -8.501 1.00 0.00 C ATOM 67 C ALA A 6 5.012 4.310 -8.120 1.00 0.00 C ATOM 68 O ALA A 6 5.081 5.494 -8.460 1.00 0.00 O ATOM 69 CB ALA A 6 2.734 3.392 -7.338 1.00 0.00 C ATOM 0 H ALA A 6 3.681 1.367 -8.268 1.00 0.00 H new ATOM 0 HA ALA A 6 3.345 4.027 -9.352 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.514 4.397 -6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.814 2.921 -7.684 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.161 2.801 -6.528 1.00 0.00 H new ATOM 75 N GLY A 7 6.016 3.712 -7.445 1.00 0.00 N ATOM 76 CA GLY A 7 7.314 4.379 -7.135 1.00 0.00 C ATOM 77 C GLY A 7 8.171 4.984 -8.274 1.00 0.00 C ATOM 78 O GLY A 7 8.805 6.017 -8.052 1.00 0.00 O ATOM 0 H GLY A 7 5.957 2.755 -7.097 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.104 5.181 -6.428 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.936 3.650 -6.615 1.00 0.00 H new ATOM 82 N GLU A 8 8.179 4.389 -9.478 1.00 0.00 N ATOM 83 CA GLU A 8 8.761 5.033 -10.699 1.00 0.00 C ATOM 84 C GLU A 8 8.111 6.384 -11.171 1.00 0.00 C ATOM 85 O GLU A 8 8.838 7.292 -11.585 1.00 0.00 O ATOM 86 CB GLU A 8 8.911 3.969 -11.820 1.00 0.00 C ATOM 87 CG GLU A 8 7.621 3.466 -12.511 1.00 0.00 C ATOM 88 CD GLU A 8 7.837 2.265 -13.425 1.00 0.00 C ATOM 89 OE1 GLU A 8 8.299 2.627 -14.655 1.00 0.00 O ATOM 90 OE2 GLU A 8 7.619 1.104 -13.094 1.00 0.00 O ATOM 0 H GLU A 8 7.791 3.461 -9.647 1.00 0.00 H new ATOM 0 HA GLU A 8 9.749 5.391 -10.409 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.564 4.382 -12.589 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.423 3.105 -11.396 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.891 3.201 -11.746 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.191 4.281 -13.094 1.00 0.00 H new ATOM 97 N LYS A 9 6.777 6.552 -11.048 1.00 0.00 N ATOM 98 CA LYS A 9 6.098 7.879 -11.155 1.00 0.00 C ATOM 99 C LYS A 9 6.529 8.901 -10.045 1.00 0.00 C ATOM 100 O LYS A 9 6.844 10.049 -10.371 1.00 0.00 O ATOM 101 CB LYS A 9 4.551 7.688 -11.152 1.00 0.00 C ATOM 102 CG LYS A 9 3.870 7.033 -12.380 1.00 0.00 C ATOM 103 CD LYS A 9 4.183 5.540 -12.587 1.00 0.00 C ATOM 104 CE LYS A 9 3.250 4.840 -13.583 1.00 0.00 C ATOM 105 NZ LYS A 9 3.690 3.439 -13.740 1.00 0.00 N ATOM 0 H LYS A 9 6.134 5.780 -10.872 1.00 0.00 H new ATOM 0 HA LYS A 9 6.417 8.314 -12.102 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.295 7.090 -10.277 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.099 8.670 -11.010 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.791 7.151 -12.282 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.170 7.578 -13.275 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.211 5.440 -12.935 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.121 5.029 -11.626 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.221 4.875 -13.225 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.271 5.353 -14.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.889 2.857 -14.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.454 3.392 -14.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.038 3.080 -12.828 1.00 0.00 H new ATOM 118 N VAL A 10 6.602 8.484 -8.760 1.00 0.00 N ATOM 119 CA VAL A 10 7.243 9.288 -7.666 1.00 0.00 C ATOM 120 C VAL A 10 8.746 9.670 -7.949 1.00 0.00 C ATOM 121 O VAL A 10 9.122 10.825 -7.728 1.00 0.00 O ATOM 122 CB VAL A 10 7.066 8.617 -6.254 1.00 0.00 C ATOM 123 CG1 VAL A 10 7.491 9.562 -5.103 1.00 0.00 C ATOM 124 CG2 VAL A 10 5.638 8.120 -5.918 1.00 0.00 C ATOM 0 H VAL A 10 6.225 7.591 -8.443 1.00 0.00 H new ATOM 0 HA VAL A 10 6.700 10.233 -7.652 1.00 0.00 H new ATOM 0 HB VAL A 10 7.717 7.746 -6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.352 9.057 -4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.541 9.831 -5.222 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.880 10.464 -5.129 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.632 7.676 -4.923 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.945 8.961 -5.944 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.331 7.373 -6.650 1.00 0.00 H new ATOM 134 N PHE A 11 9.584 8.746 -8.474 1.00 0.00 N ATOM 135 CA PHE A 11 10.957 9.073 -8.958 1.00 0.00 C ATOM 136 C PHE A 11 11.068 10.197 -10.055 1.00 0.00 C ATOM 137 O PHE A 11 12.103 10.861 -10.093 1.00 0.00 O ATOM 138 CB PHE A 11 11.688 7.752 -9.363 1.00 0.00 C ATOM 139 CG PHE A 11 13.226 7.877 -9.466 1.00 0.00 C ATOM 140 CD1 PHE A 11 14.038 7.653 -8.350 1.00 0.00 C ATOM 141 CD2 PHE A 11 13.818 8.319 -10.654 1.00 0.00 C ATOM 142 CE1 PHE A 11 15.399 7.944 -8.398 1.00 0.00 C ATOM 143 CE2 PHE A 11 15.174 8.638 -10.694 1.00 0.00 C ATOM 144 CZ PHE A 11 15.962 8.462 -9.561 1.00 0.00 C ATOM 0 H PHE A 11 9.337 7.762 -8.576 1.00 0.00 H new ATOM 0 HA PHE A 11 11.467 9.540 -8.116 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.447 6.979 -8.633 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.298 7.416 -10.324 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.607 7.252 -7.445 1.00 0.00 H new ATOM 0 HD2 PHE A 11 13.219 8.414 -11.548 1.00 0.00 H new ATOM 0 HE1 PHE A 11 16.019 7.767 -7.531 1.00 0.00 H new ATOM 0 HE2 PHE A 11 15.613 9.021 -11.603 1.00 0.00 H new ATOM 0 HZ PHE A 11 17.009 8.727 -9.584 1.00 0.00 H new ATOM 154 N GLY A 12 10.042 10.484 -10.886 1.00 0.00 N ATOM 155 CA GLY A 12 9.983 11.735 -11.710 1.00 0.00 C ATOM 156 C GLY A 12 10.290 13.111 -11.050 1.00 0.00 C ATOM 157 O GLY A 12 10.924 13.957 -11.680 1.00 0.00 O ATOM 0 H GLY A 12 9.236 9.871 -11.012 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.678 11.610 -12.540 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.982 11.796 -12.138 1.00 0.00 H new ATOM 161 N LYS A 13 9.907 13.306 -9.776 1.00 0.00 N ATOM 162 CA LYS A 13 10.459 14.399 -8.910 1.00 0.00 C ATOM 163 C LYS A 13 12.018 14.392 -8.685 1.00 0.00 C ATOM 164 O LYS A 13 12.641 15.455 -8.634 1.00 0.00 O ATOM 165 CB LYS A 13 9.729 14.342 -7.536 1.00 0.00 C ATOM 166 CG LYS A 13 8.220 14.684 -7.541 1.00 0.00 C ATOM 167 CD LYS A 13 7.573 14.449 -6.159 1.00 0.00 C ATOM 168 CE LYS A 13 6.066 14.753 -6.088 1.00 0.00 C ATOM 169 NZ LYS A 13 5.802 16.207 -6.073 1.00 0.00 N ATOM 0 H LYS A 13 9.213 12.724 -9.307 1.00 0.00 H new ATOM 0 HA LYS A 13 10.275 15.328 -9.450 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.850 13.339 -7.127 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.232 15.027 -6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.085 15.725 -7.833 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.712 14.075 -8.288 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.733 13.410 -5.871 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.088 15.066 -5.423 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.563 14.301 -6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.645 14.297 -5.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.776 16.373 -6.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.261 16.635 -5.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.182 16.638 -6.940 1.00 0.00 H new ATOM 182 N CYS A 14 12.633 13.205 -8.538 1.00 0.00 N ATOM 183 CA CYS A 14 14.106 13.029 -8.471 1.00 0.00 C ATOM 184 C CYS A 14 14.873 13.107 -9.846 1.00 0.00 C ATOM 185 O CYS A 14 15.998 13.613 -9.868 1.00 0.00 O ATOM 186 CB CYS A 14 14.354 11.677 -7.751 1.00 0.00 C ATOM 187 SG CYS A 14 13.158 11.274 -6.432 1.00 0.00 S ATOM 0 H CYS A 14 12.120 12.327 -8.461 1.00 0.00 H new ATOM 0 HA CYS A 14 14.522 13.876 -7.925 1.00 0.00 H new ATOM 0 HB2 CYS A 14 14.336 10.879 -8.493 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.355 11.690 -7.321 1.00 0.00 H new ATOM 0 HG CYS A 14 13.463 10.125 -5.906 1.00 0.00 H new ATOM 192 N LYS A 15 14.282 12.628 -10.969 1.00 0.00 N ATOM 193 CA LYS A 15 14.913 12.583 -12.331 1.00 0.00 C ATOM 194 C LYS A 15 15.663 13.847 -12.865 1.00 0.00 C ATOM 195 O LYS A 15 16.721 13.697 -13.481 1.00 0.00 O ATOM 196 CB LYS A 15 13.844 12.151 -13.383 1.00 0.00 C ATOM 197 CG LYS A 15 13.401 10.676 -13.330 1.00 0.00 C ATOM 198 CD LYS A 15 12.457 10.266 -14.477 1.00 0.00 C ATOM 199 CE LYS A 15 11.857 8.869 -14.248 1.00 0.00 C ATOM 200 NZ LYS A 15 10.973 8.506 -15.372 1.00 0.00 N ATOM 0 H LYS A 15 13.334 12.252 -10.963 1.00 0.00 H new ATOM 0 HA LYS A 15 15.717 11.861 -12.191 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.962 12.779 -13.255 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.239 12.355 -14.378 1.00 0.00 H new ATOM 0 HG2 LYS A 15 14.286 10.040 -13.356 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.903 10.490 -12.378 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.653 10.997 -14.566 1.00 0.00 H new ATOM 0 HD3 LYS A 15 13.004 10.277 -15.420 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.655 8.133 -14.151 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.295 8.855 -13.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.573 7.560 -15.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.202 9.200 -15.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.520 8.501 -16.256 1.00 0.00 H new ATOM 213 N ALA A 16 15.144 15.071 -12.643 1.00 0.00 N ATOM 214 CA ALA A 16 15.883 16.329 -12.957 1.00 0.00 C ATOM 215 C ALA A 16 17.298 16.526 -12.303 1.00 0.00 C ATOM 216 O ALA A 16 18.173 17.138 -12.921 1.00 0.00 O ATOM 217 CB ALA A 16 14.927 17.486 -12.607 1.00 0.00 C ATOM 0 H ALA A 16 14.216 15.224 -12.248 1.00 0.00 H new ATOM 0 HA ALA A 16 16.149 16.288 -14.013 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.415 18.438 -12.817 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.021 17.403 -13.207 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.668 17.437 -11.549 1.00 0.00 H new ATOM 223 N CYS A 17 17.518 16.008 -11.081 1.00 0.00 N ATOM 224 CA CYS A 17 18.849 15.994 -10.420 1.00 0.00 C ATOM 225 C CYS A 17 19.594 14.611 -10.383 1.00 0.00 C ATOM 226 O CYS A 17 20.825 14.597 -10.473 1.00 0.00 O ATOM 227 CB CYS A 17 18.613 16.519 -8.992 1.00 0.00 C ATOM 228 SG CYS A 17 17.771 18.133 -8.959 1.00 0.00 S ATOM 0 H CYS A 17 16.781 15.585 -10.518 1.00 0.00 H new ATOM 0 HA CYS A 17 19.522 16.614 -11.013 1.00 0.00 H new ATOM 0 HB2 CYS A 17 18.018 15.793 -8.438 1.00 0.00 H new ATOM 0 HB3 CYS A 17 19.571 16.604 -8.479 1.00 0.00 H new ATOM 0 HG CYS A 17 17.604 18.510 -7.726 1.00 0.00 H new ATOM 233 N HIS A 18 18.881 13.484 -10.182 1.00 0.00 N ATOM 234 CA HIS A 18 19.476 12.156 -9.857 1.00 0.00 C ATOM 235 C HIS A 18 19.204 11.093 -10.969 1.00 0.00 C ATOM 236 O HIS A 18 18.110 11.016 -11.540 1.00 0.00 O ATOM 237 CB HIS A 18 18.843 11.667 -8.530 1.00 0.00 C ATOM 238 CG HIS A 18 19.414 12.300 -7.268 1.00 0.00 C ATOM 239 ND1 HIS A 18 20.395 11.703 -6.529 1.00 0.00 N ATOM 240 CD2 HIS A 18 18.859 13.357 -6.552 1.00 0.00 C ATOM 241 CE1 HIS A 18 20.284 12.383 -5.357 1.00 0.00 C ATOM 242 NE2 HIS A 18 19.439 13.485 -5.280 1.00 0.00 N ATOM 0 H HIS A 18 17.863 13.462 -10.240 1.00 0.00 H new ATOM 0 HA HIS A 18 20.557 12.272 -9.776 1.00 0.00 H new ATOM 0 HB2 HIS A 18 17.771 11.863 -8.563 1.00 0.00 H new ATOM 0 HB3 HIS A 18 18.967 10.586 -8.463 1.00 0.00 H new ATOM 0 HD1 HIS A 18 21.036 10.952 -6.786 1.00 0.00 H new ATOM 0 HD2 HIS A 18 18.078 14.000 -6.929 1.00 0.00 H new ATOM 0 HE1 HIS A 18 20.848 12.069 -4.491 1.00 0.00 H new ATOM 250 N LYS A 19 20.197 10.223 -11.220 1.00 0.00 N ATOM 251 CA LYS A 19 20.139 9.213 -12.319 1.00 0.00 C ATOM 252 C LYS A 19 20.144 7.743 -11.779 1.00 0.00 C ATOM 253 O LYS A 19 20.781 7.422 -10.769 1.00 0.00 O ATOM 254 CB LYS A 19 21.341 9.455 -13.276 1.00 0.00 C ATOM 255 CG LYS A 19 21.362 10.811 -14.024 1.00 0.00 C ATOM 256 CD LYS A 19 22.638 10.989 -14.866 1.00 0.00 C ATOM 257 CE LYS A 19 22.727 12.373 -15.522 1.00 0.00 C ATOM 258 NZ LYS A 19 23.979 12.479 -16.296 1.00 0.00 N ATOM 0 H LYS A 19 21.061 10.190 -10.678 1.00 0.00 H new ATOM 0 HA LYS A 19 19.199 9.336 -12.856 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.261 9.369 -12.698 1.00 0.00 H new ATOM 0 HB3 LYS A 19 21.354 8.656 -14.017 1.00 0.00 H new ATOM 0 HG2 LYS A 19 20.488 10.880 -14.672 1.00 0.00 H new ATOM 0 HG3 LYS A 19 21.289 11.624 -13.302 1.00 0.00 H new ATOM 0 HD2 LYS A 19 23.511 10.835 -14.232 1.00 0.00 H new ATOM 0 HD3 LYS A 19 22.667 10.222 -15.640 1.00 0.00 H new ATOM 0 HE2 LYS A 19 21.870 12.531 -16.176 1.00 0.00 H new ATOM 0 HE3 LYS A 19 22.694 13.150 -14.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 24.035 13.418 -16.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 24.792 12.346 -15.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 23.994 11.747 -17.035 1.00 0.00 H new ATOM 271 N LEU A 20 19.464 6.834 -12.502 1.00 0.00 N ATOM 272 CA LEU A 20 19.465 5.365 -12.190 1.00 0.00 C ATOM 273 C LEU A 20 20.382 4.466 -13.093 1.00 0.00 C ATOM 274 O LEU A 20 20.246 3.238 -13.079 1.00 0.00 O ATOM 275 CB LEU A 20 17.991 4.862 -12.228 1.00 0.00 C ATOM 276 CG LEU A 20 17.034 5.423 -11.149 1.00 0.00 C ATOM 277 CD1 LEU A 20 15.585 5.063 -11.489 1.00 0.00 C ATOM 278 CD2 LEU A 20 17.363 4.924 -9.732 1.00 0.00 C ATOM 0 H LEU A 20 18.899 7.079 -13.315 1.00 0.00 H new ATOM 0 HA LEU A 20 19.910 5.264 -11.200 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.576 5.100 -13.207 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.001 3.775 -12.142 1.00 0.00 H new ATOM 0 HG LEU A 20 17.168 6.505 -11.151 1.00 0.00 H new ATOM 0 HD11 LEU A 20 14.921 5.463 -10.723 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.321 5.490 -12.456 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.480 3.979 -11.530 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.656 5.353 -9.022 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.291 3.837 -9.703 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.375 5.228 -9.465 1.00 0.00 H new ATOM 290 N ASP A 21 21.332 5.012 -13.871 1.00 0.00 N ATOM 291 CA ASP A 21 22.346 4.199 -14.612 1.00 0.00 C ATOM 292 C ASP A 21 23.798 4.713 -14.339 1.00 0.00 C ATOM 293 O ASP A 21 24.490 5.192 -15.245 1.00 0.00 O ATOM 294 CB ASP A 21 21.962 4.161 -16.121 1.00 0.00 C ATOM 295 CG ASP A 21 20.774 3.320 -16.618 1.00 0.00 C ATOM 296 OD1 ASP A 21 20.032 2.732 -15.628 1.00 0.00 O ATOM 297 OD2 ASP A 21 20.536 3.191 -17.815 1.00 0.00 O ATOM 0 H ASP A 21 21.429 6.018 -14.012 1.00 0.00 H new ATOM 0 HA ASP A 21 22.341 3.171 -14.249 1.00 0.00 H new ATOM 0 HB2 ASP A 21 21.775 5.190 -16.428 1.00 0.00 H new ATOM 0 HB3 ASP A 21 22.843 3.821 -16.666 1.00 0.00 H new ATOM 302 N GLY A 22 24.273 4.599 -13.081 1.00 0.00 N ATOM 303 CA GLY A 22 25.698 4.858 -12.709 1.00 0.00 C ATOM 304 C GLY A 22 26.236 6.316 -12.666 1.00 0.00 C ATOM 305 O GLY A 22 27.062 6.649 -11.817 1.00 0.00 O ATOM 0 H GLY A 22 23.689 4.326 -12.290 1.00 0.00 H new ATOM 0 HA2 GLY A 22 25.860 4.423 -11.723 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.322 4.302 -13.409 1.00 0.00 H new ATOM 309 N ASN A 23 25.796 7.164 -13.601 1.00 0.00 N ATOM 310 CA ASN A 23 26.263 8.567 -13.753 1.00 0.00 C ATOM 311 C ASN A 23 25.706 9.532 -12.651 1.00 0.00 C ATOM 312 O ASN A 23 24.612 9.349 -12.113 1.00 0.00 O ATOM 313 CB ASN A 23 25.857 9.041 -15.179 1.00 0.00 C ATOM 314 CG ASN A 23 26.668 8.446 -16.337 1.00 0.00 C ATOM 315 OD1 ASN A 23 27.725 8.946 -16.702 1.00 0.00 O ATOM 316 ND2 ASN A 23 26.218 7.378 -16.955 1.00 0.00 N ATOM 0 H ASN A 23 25.093 6.901 -14.291 1.00 0.00 H new ATOM 0 HA ASN A 23 27.345 8.594 -13.624 1.00 0.00 H new ATOM 0 HB2 ASN A 23 24.805 8.800 -15.336 1.00 0.00 H new ATOM 0 HB3 ASN A 23 25.945 10.127 -15.219 1.00 0.00 H new ATOM 0 HD21 ASN A 23 26.747 6.975 -17.728 1.00 0.00 H new ATOM 0 HD22 ASN A 23 25.339 6.951 -16.662 1.00 0.00 H new ATOM 323 N ASP A 24 26.489 10.568 -12.310 1.00 0.00 N ATOM 324 CA ASP A 24 26.078 11.607 -11.317 1.00 0.00 C ATOM 325 C ASP A 24 25.662 12.923 -12.052 1.00 0.00 C ATOM 326 O ASP A 24 26.384 13.393 -12.938 1.00 0.00 O ATOM 327 CB ASP A 24 27.268 11.850 -10.347 1.00 0.00 C ATOM 328 CG ASP A 24 27.597 10.742 -9.338 1.00 0.00 C ATOM 329 OD1 ASP A 24 27.631 9.501 -9.901 1.00 0.00 O ATOM 330 OD2 ASP A 24 27.803 10.960 -8.150 1.00 0.00 O ATOM 0 H ASP A 24 27.418 10.720 -12.703 1.00 0.00 H new ATOM 0 HA ASP A 24 25.213 11.269 -10.747 1.00 0.00 H new ATOM 0 HB2 ASP A 24 28.159 12.034 -10.947 1.00 0.00 H new ATOM 0 HB3 ASP A 24 27.066 12.764 -9.789 1.00 0.00 H new ATOM 335 N GLY A 25 24.512 13.518 -11.681 1.00 0.00 N ATOM 336 CA GLY A 25 24.031 14.783 -12.305 1.00 0.00 C ATOM 337 C GLY A 25 24.206 16.011 -11.390 1.00 0.00 C ATOM 338 O GLY A 25 25.331 16.420 -11.097 1.00 0.00 O ATOM 0 H GLY A 25 23.895 13.151 -10.956 1.00 0.00 H new ATOM 0 HA2 GLY A 25 24.572 14.951 -13.236 1.00 0.00 H new ATOM 0 HA3 GLY A 25 22.977 14.676 -12.563 1.00 0.00 H new ATOM 342 N VAL A 26 23.088 16.582 -10.919 1.00 0.00 N ATOM 343 CA VAL A 26 23.101 17.556 -9.774 1.00 0.00 C ATOM 344 C VAL A 26 23.236 16.802 -8.403 1.00 0.00 C ATOM 345 O VAL A 26 24.087 17.175 -7.592 1.00 0.00 O ATOM 346 CB VAL A 26 21.893 18.560 -9.842 1.00 0.00 C ATOM 347 CG1 VAL A 26 21.903 19.620 -8.715 1.00 0.00 C ATOM 348 CG2 VAL A 26 21.786 19.336 -11.177 1.00 0.00 C ATOM 0 H VAL A 26 22.159 16.399 -11.298 1.00 0.00 H new ATOM 0 HA VAL A 26 23.988 18.184 -9.861 1.00 0.00 H new ATOM 0 HB VAL A 26 21.036 17.895 -9.732 1.00 0.00 H new ATOM 0 HG11 VAL A 26 21.041 20.277 -8.826 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.857 19.122 -7.747 1.00 0.00 H new ATOM 0 HG13 VAL A 26 22.818 20.209 -8.777 1.00 0.00 H new ATOM 0 HG21 VAL A 26 20.927 20.006 -11.141 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.694 19.918 -11.333 1.00 0.00 H new ATOM 0 HG23 VAL A 26 21.661 18.631 -11.999 1.00 0.00 H new ATOM 358 N GLY A 27 22.435 15.746 -8.158 1.00 0.00 N ATOM 359 CA GLY A 27 22.740 14.750 -7.103 1.00 0.00 C ATOM 360 C GLY A 27 23.438 13.447 -7.600 1.00 0.00 C ATOM 361 O GLY A 27 23.515 13.213 -8.815 1.00 0.00 O ATOM 0 H GLY A 27 21.574 15.558 -8.672 1.00 0.00 H new ATOM 0 HA2 GLY A 27 23.377 15.221 -6.354 1.00 0.00 H new ATOM 0 HA3 GLY A 27 21.810 14.477 -6.604 1.00 0.00 H new ATOM 365 N PRO A 28 23.941 12.544 -6.708 1.00 0.00 N ATOM 366 CA PRO A 28 24.613 11.284 -7.136 1.00 0.00 C ATOM 367 C PRO A 28 23.677 10.184 -7.738 1.00 0.00 C ATOM 368 O PRO A 28 22.449 10.311 -7.757 1.00 0.00 O ATOM 369 CB PRO A 28 25.328 10.871 -5.831 1.00 0.00 C ATOM 370 CG PRO A 28 24.447 11.415 -4.708 1.00 0.00 C ATOM 371 CD PRO A 28 23.970 12.758 -5.247 1.00 0.00 C ATOM 0 HA PRO A 28 25.280 11.426 -7.986 1.00 0.00 H new ATOM 0 HB2 PRO A 28 25.430 9.788 -5.763 1.00 0.00 H new ATOM 0 HB3 PRO A 28 26.333 11.290 -5.782 1.00 0.00 H new ATOM 0 HG2 PRO A 28 23.611 10.748 -4.495 1.00 0.00 H new ATOM 0 HG3 PRO A 28 25.006 11.531 -3.780 1.00 0.00 H new ATOM 0 HD2 PRO A 28 22.986 13.021 -4.859 1.00 0.00 H new ATOM 0 HD3 PRO A 28 24.648 13.566 -4.972 1.00 0.00 H new ATOM 379 N HIS A 29 24.255 9.075 -8.228 1.00 0.00 N ATOM 380 CA HIS A 29 23.460 7.935 -8.769 1.00 0.00 C ATOM 381 C HIS A 29 22.617 7.191 -7.676 1.00 0.00 C ATOM 382 O HIS A 29 23.163 6.748 -6.658 1.00 0.00 O ATOM 383 CB HIS A 29 24.386 6.997 -9.587 1.00 0.00 C ATOM 384 CG HIS A 29 25.427 6.160 -8.835 1.00 0.00 C ATOM 385 ND1 HIS A 29 26.671 6.639 -8.452 1.00 0.00 N ATOM 386 CD2 HIS A 29 25.301 4.798 -8.521 1.00 0.00 C ATOM 387 CE1 HIS A 29 27.207 5.480 -7.954 1.00 0.00 C ATOM 388 NE2 HIS A 29 26.458 4.333 -7.926 1.00 0.00 N ATOM 0 H HIS A 29 25.264 8.934 -8.265 1.00 0.00 H new ATOM 0 HA HIS A 29 22.706 8.336 -9.447 1.00 0.00 H new ATOM 0 HB2 HIS A 29 23.751 6.311 -10.148 1.00 0.00 H new ATOM 0 HB3 HIS A 29 24.917 7.609 -10.317 1.00 0.00 H new ATOM 0 HD2 HIS A 29 24.424 4.199 -8.717 1.00 0.00 H new ATOM 0 HE1 HIS A 29 28.221 5.471 -7.583 1.00 0.00 H new ATOM 0 HE2 HIS A 29 26.688 3.405 -7.569 1.00 0.00 H new ATOM 396 N LEU A 30 21.294 7.062 -7.871 1.00 0.00 N ATOM 397 CA LEU A 30 20.404 6.328 -6.910 1.00 0.00 C ATOM 398 C LEU A 30 20.158 4.806 -7.196 1.00 0.00 C ATOM 399 O LEU A 30 19.519 4.144 -6.373 1.00 0.00 O ATOM 400 CB LEU A 30 19.084 7.125 -6.702 1.00 0.00 C ATOM 401 CG LEU A 30 19.205 8.505 -6.000 1.00 0.00 C ATOM 402 CD1 LEU A 30 17.855 9.237 -5.999 1.00 0.00 C ATOM 403 CD2 LEU A 30 19.715 8.437 -4.549 1.00 0.00 C ATOM 0 H LEU A 30 20.804 7.449 -8.677 1.00 0.00 H new ATOM 0 HA LEU A 30 20.964 6.287 -5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.622 7.279 -7.677 1.00 0.00 H new ATOM 0 HB3 LEU A 30 18.401 6.506 -6.120 1.00 0.00 H new ATOM 0 HG LEU A 30 19.949 9.047 -6.584 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.964 10.201 -5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.525 9.393 -7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 30 17.116 8.637 -5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 30 19.769 9.444 -4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 30 19.031 7.835 -3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 30 20.706 7.984 -4.533 1.00 0.00 H new ATOM 415 N ASN A 31 20.722 4.220 -8.273 1.00 0.00 N ATOM 416 CA ASN A 31 20.879 2.745 -8.411 1.00 0.00 C ATOM 417 C ASN A 31 21.882 2.174 -7.354 1.00 0.00 C ATOM 418 O ASN A 31 23.085 2.453 -7.400 1.00 0.00 O ATOM 419 CB ASN A 31 21.239 2.362 -9.875 1.00 0.00 C ATOM 420 CG ASN A 31 22.497 2.994 -10.498 1.00 0.00 C ATOM 421 OD1 ASN A 31 22.541 4.187 -10.779 1.00 0.00 O ATOM 422 ND2 ASN A 31 23.554 2.257 -10.746 1.00 0.00 N ATOM 0 H ASN A 31 21.081 4.746 -9.070 1.00 0.00 H new ATOM 0 HA ASN A 31 19.921 2.272 -8.195 1.00 0.00 H new ATOM 0 HB2 ASN A 31 21.353 1.279 -9.919 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.388 2.619 -10.506 1.00 0.00 H new ATOM 0 HD21 ASN A 31 24.384 2.679 -11.162 1.00 0.00 H new ATOM 0 HD22 ASN A 31 23.546 1.262 -10.523 1.00 0.00 H new ATOM 429 N GLY A 32 21.351 1.452 -6.359 1.00 0.00 N ATOM 430 CA GLY A 32 22.149 1.012 -5.182 1.00 0.00 C ATOM 431 C GLY A 32 22.280 2.024 -4.023 1.00 0.00 C ATOM 432 O GLY A 32 23.379 2.189 -3.495 1.00 0.00 O ATOM 0 H GLY A 32 20.375 1.155 -6.335 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.703 0.099 -4.789 1.00 0.00 H new ATOM 0 HA3 GLY A 32 23.151 0.755 -5.526 1.00 0.00 H new ATOM 436 N VAL A 33 21.175 2.661 -3.602 1.00 0.00 N ATOM 437 CA VAL A 33 21.142 3.542 -2.390 1.00 0.00 C ATOM 438 C VAL A 33 20.643 2.844 -1.077 1.00 0.00 C ATOM 439 O VAL A 33 21.145 3.186 -0.004 1.00 0.00 O ATOM 440 CB VAL A 33 20.413 4.893 -2.706 1.00 0.00 C ATOM 441 CG1 VAL A 33 18.884 4.768 -2.876 1.00 0.00 C ATOM 442 CG2 VAL A 33 20.704 5.994 -1.657 1.00 0.00 C ATOM 0 H VAL A 33 20.276 2.590 -4.079 1.00 0.00 H new ATOM 0 HA VAL A 33 22.180 3.775 -2.154 1.00 0.00 H new ATOM 0 HB VAL A 33 20.835 5.183 -3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.461 5.749 -3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.664 4.088 -3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.446 4.378 -1.957 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.172 6.906 -1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.370 5.658 -0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 33 21.775 6.194 -1.627 1.00 0.00 H new ATOM 452 N VAL A 34 19.664 1.916 -1.123 1.00 0.00 N ATOM 453 CA VAL A 34 19.035 1.324 0.100 1.00 0.00 C ATOM 454 C VAL A 34 20.032 0.307 0.751 1.00 0.00 C ATOM 455 O VAL A 34 20.335 -0.742 0.175 1.00 0.00 O ATOM 456 CB VAL A 34 17.623 0.698 -0.188 1.00 0.00 C ATOM 457 CG1 VAL A 34 16.879 0.336 1.122 1.00 0.00 C ATOM 458 CG2 VAL A 34 16.668 1.585 -1.022 1.00 0.00 C ATOM 0 H VAL A 34 19.283 1.552 -1.996 1.00 0.00 H new ATOM 0 HA VAL A 34 18.841 2.123 0.816 1.00 0.00 H new ATOM 0 HB VAL A 34 17.862 -0.188 -0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.907 -0.094 0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.467 -0.388 1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 34 16.739 1.235 1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.721 1.065 -1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 34 16.490 2.523 -0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.119 1.793 -1.992 1.00 0.00 H new ATOM 468 N GLY A 35 20.597 0.672 1.914 1.00 0.00 N ATOM 469 CA GLY A 35 21.838 0.030 2.429 1.00 0.00 C ATOM 470 C GLY A 35 23.171 0.805 2.264 1.00 0.00 C ATOM 471 O GLY A 35 24.069 0.596 3.084 1.00 0.00 O ATOM 0 H GLY A 35 20.224 1.403 2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.696 -0.171 3.491 1.00 0.00 H new ATOM 0 HA3 GLY A 35 21.947 -0.935 1.934 1.00 0.00 H new ATOM 475 N ARG A 36 23.346 1.670 1.245 1.00 0.00 N ATOM 476 CA ARG A 36 24.632 2.388 1.000 1.00 0.00 C ATOM 477 C ARG A 36 24.983 3.446 2.096 1.00 0.00 C ATOM 478 O ARG A 36 24.106 4.122 2.640 1.00 0.00 O ATOM 479 CB ARG A 36 24.550 3.021 -0.417 1.00 0.00 C ATOM 480 CG ARG A 36 25.849 3.696 -0.943 1.00 0.00 C ATOM 481 CD ARG A 36 25.804 4.137 -2.417 1.00 0.00 C ATOM 482 NE ARG A 36 24.882 5.290 -2.624 1.00 0.00 N ATOM 483 CZ ARG A 36 24.402 5.685 -3.804 1.00 0.00 C ATOM 484 NH1 ARG A 36 24.642 5.074 -4.932 1.00 0.00 N ATOM 485 NH2 ARG A 36 23.654 6.745 -3.856 1.00 0.00 N ATOM 0 H ARG A 36 22.615 1.895 0.571 1.00 0.00 H new ATOM 0 HA ARG A 36 25.451 1.671 1.055 1.00 0.00 H new ATOM 0 HB2 ARG A 36 24.257 2.244 -1.123 1.00 0.00 H new ATOM 0 HB3 ARG A 36 23.754 3.765 -0.414 1.00 0.00 H new ATOM 0 HG2 ARG A 36 26.063 4.568 -0.325 1.00 0.00 H new ATOM 0 HG3 ARG A 36 26.679 3.002 -0.813 1.00 0.00 H new ATOM 0 HD2 ARG A 36 26.807 4.411 -2.745 1.00 0.00 H new ATOM 0 HD3 ARG A 36 25.483 3.300 -3.037 1.00 0.00 H new ATOM 0 HE ARG A 36 24.596 5.818 -1.799 1.00 0.00 H new ATOM 0 HH11 ARG A 36 25.229 4.240 -4.945 1.00 0.00 H new ATOM 0 HH12 ARG A 36 24.242 5.430 -5.800 1.00 0.00 H new ATOM 0 HH21 ARG A 36 23.442 7.262 -3.003 1.00 0.00 H new ATOM 0 HH22 ARG A 36 23.279 7.061 -4.750 1.00 0.00 H new ATOM 499 N THR A 37 26.287 3.615 2.374 1.00 0.00 N ATOM 500 CA THR A 37 26.814 4.620 3.345 1.00 0.00 C ATOM 501 C THR A 37 26.323 6.090 3.091 1.00 0.00 C ATOM 502 O THR A 37 26.241 6.545 1.942 1.00 0.00 O ATOM 503 CB THR A 37 28.374 4.503 3.348 1.00 0.00 C ATOM 504 OG1 THR A 37 28.784 3.163 3.605 1.00 0.00 O ATOM 505 CG2 THR A 37 29.098 5.348 4.409 1.00 0.00 C ATOM 0 H THR A 37 27.020 3.059 1.934 1.00 0.00 H new ATOM 0 HA THR A 37 26.410 4.391 4.331 1.00 0.00 H new ATOM 0 HB THR A 37 28.646 4.864 2.356 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.763 3.114 3.600 1.00 0.00 H new ATOM 0 HG21 THR A 37 30.174 5.194 4.325 1.00 0.00 H new ATOM 0 HG22 THR A 37 28.869 6.402 4.253 1.00 0.00 H new ATOM 0 HG23 THR A 37 28.765 5.048 5.403 1.00 0.00 H new ATOM 513 N VAL A 38 26.021 6.836 4.173 1.00 0.00 N ATOM 514 CA VAL A 38 25.731 8.304 4.086 1.00 0.00 C ATOM 515 C VAL A 38 27.028 9.082 3.668 1.00 0.00 C ATOM 516 O VAL A 38 28.065 8.981 4.331 1.00 0.00 O ATOM 517 CB VAL A 38 25.088 8.886 5.392 1.00 0.00 C ATOM 518 CG1 VAL A 38 24.711 10.381 5.244 1.00 0.00 C ATOM 519 CG2 VAL A 38 23.809 8.157 5.864 1.00 0.00 C ATOM 0 H VAL A 38 25.969 6.459 5.119 1.00 0.00 H new ATOM 0 HA VAL A 38 24.976 8.443 3.312 1.00 0.00 H new ATOM 0 HB VAL A 38 25.874 8.740 6.133 1.00 0.00 H new ATOM 0 HG11 VAL A 38 24.269 10.739 6.174 1.00 0.00 H new ATOM 0 HG12 VAL A 38 25.606 10.962 5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 38 23.992 10.496 4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 38 23.436 8.629 6.773 1.00 0.00 H new ATOM 0 HG22 VAL A 38 23.048 8.216 5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 38 24.040 7.111 6.067 1.00 0.00 H new ATOM 529 N ALA A 39 26.963 9.805 2.531 1.00 0.00 N ATOM 530 CA ALA A 39 28.167 10.282 1.786 1.00 0.00 C ATOM 531 C ALA A 39 29.077 9.144 1.193 1.00 0.00 C ATOM 532 O ALA A 39 30.295 9.120 1.393 1.00 0.00 O ATOM 533 CB ALA A 39 28.917 11.374 2.582 1.00 0.00 C ATOM 0 H ALA A 39 26.081 10.079 2.097 1.00 0.00 H new ATOM 0 HA ALA A 39 27.799 10.761 0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 39 29.789 11.703 2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 39 28.253 12.222 2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 39 29.239 10.969 3.541 1.00 0.00 H new ATOM 539 N GLY A 40 28.473 8.206 0.438 1.00 0.00 N ATOM 540 CA GLY A 40 29.167 6.970 -0.027 1.00 0.00 C ATOM 541 C GLY A 40 29.789 6.956 -1.441 1.00 0.00 C ATOM 542 O GLY A 40 30.746 6.210 -1.667 1.00 0.00 O ATOM 0 H GLY A 40 27.502 8.273 0.132 1.00 0.00 H new ATOM 0 HA2 GLY A 40 29.961 6.749 0.686 1.00 0.00 H new ATOM 0 HA3 GLY A 40 28.452 6.149 0.028 1.00 0.00 H new ATOM 546 N VAL A 41 29.262 7.737 -2.400 1.00 0.00 N ATOM 547 CA VAL A 41 29.792 7.783 -3.799 1.00 0.00 C ATOM 548 C VAL A 41 31.133 8.594 -3.829 1.00 0.00 C ATOM 549 O VAL A 41 31.150 9.826 -3.917 1.00 0.00 O ATOM 550 CB VAL A 41 28.692 8.304 -4.791 1.00 0.00 C ATOM 551 CG1 VAL A 41 29.183 8.414 -6.255 1.00 0.00 C ATOM 552 CG2 VAL A 41 27.419 7.424 -4.816 1.00 0.00 C ATOM 0 H VAL A 41 28.464 8.353 -2.243 1.00 0.00 H new ATOM 0 HA VAL A 41 30.036 6.779 -4.147 1.00 0.00 H new ATOM 0 HB VAL A 41 28.459 9.293 -4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 41 28.372 8.780 -6.884 1.00 0.00 H new ATOM 0 HG12 VAL A 41 30.023 9.107 -6.306 1.00 0.00 H new ATOM 0 HG13 VAL A 41 29.501 7.433 -6.607 1.00 0.00 H new ATOM 0 HG21 VAL A 41 26.702 7.842 -5.522 1.00 0.00 H new ATOM 0 HG22 VAL A 41 27.682 6.412 -5.123 1.00 0.00 H new ATOM 0 HG23 VAL A 41 26.975 7.398 -3.821 1.00 0.00 H new ATOM 562 N ASP A 42 32.259 7.865 -3.747 1.00 0.00 N ATOM 563 CA ASP A 42 33.619 8.462 -3.675 1.00 0.00 C ATOM 564 C ASP A 42 34.068 8.956 -5.089 1.00 0.00 C ATOM 565 O ASP A 42 34.304 8.162 -6.005 1.00 0.00 O ATOM 566 CB ASP A 42 34.566 7.400 -3.055 1.00 0.00 C ATOM 567 CG ASP A 42 34.565 7.316 -1.523 1.00 0.00 C ATOM 568 OD1 ASP A 42 33.359 6.934 -1.001 1.00 0.00 O ATOM 569 OD2 ASP A 42 35.559 7.565 -0.848 1.00 0.00 O ATOM 0 H ASP A 42 32.260 6.845 -3.728 1.00 0.00 H new ATOM 0 HA ASP A 42 33.639 9.347 -3.039 1.00 0.00 H new ATOM 0 HB2 ASP A 42 34.295 6.422 -3.454 1.00 0.00 H new ATOM 0 HB3 ASP A 42 35.583 7.609 -3.388 1.00 0.00 H new ATOM 574 N GLY A 43 34.076 10.284 -5.270 1.00 0.00 N ATOM 575 CA GLY A 43 33.877 10.901 -6.611 1.00 0.00 C ATOM 576 C GLY A 43 32.939 12.130 -6.596 1.00 0.00 C ATOM 577 O GLY A 43 33.304 13.180 -7.126 1.00 0.00 O ATOM 0 H GLY A 43 34.216 10.957 -4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 43 34.846 11.199 -7.011 1.00 0.00 H new ATOM 0 HA3 GLY A 43 33.469 10.152 -7.289 1.00 0.00 H new ATOM 581 N PHE A 44 31.740 12.009 -5.994 1.00 0.00 N ATOM 582 CA PHE A 44 30.832 13.165 -5.768 1.00 0.00 C ATOM 583 C PHE A 44 31.302 14.050 -4.563 1.00 0.00 C ATOM 584 O PHE A 44 31.542 13.556 -3.455 1.00 0.00 O ATOM 585 CB PHE A 44 29.400 12.596 -5.562 1.00 0.00 C ATOM 586 CG PHE A 44 28.283 13.655 -5.574 1.00 0.00 C ATOM 587 CD1 PHE A 44 27.692 14.064 -6.774 1.00 0.00 C ATOM 588 CD2 PHE A 44 27.893 14.265 -4.378 1.00 0.00 C ATOM 589 CE1 PHE A 44 26.731 15.074 -6.776 1.00 0.00 C ATOM 590 CE2 PHE A 44 26.940 15.276 -4.380 1.00 0.00 C ATOM 591 CZ PHE A 44 26.359 15.681 -5.579 1.00 0.00 C ATOM 0 H PHE A 44 31.371 11.122 -5.652 1.00 0.00 H new ATOM 0 HA PHE A 44 30.844 13.831 -6.631 1.00 0.00 H new ATOM 0 HB2 PHE A 44 29.198 11.864 -6.344 1.00 0.00 H new ATOM 0 HB3 PHE A 44 29.368 12.063 -4.611 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.981 13.595 -7.703 1.00 0.00 H new ATOM 0 HD2 PHE A 44 28.336 13.948 -3.445 1.00 0.00 H new ATOM 0 HE1 PHE A 44 26.276 15.385 -7.705 1.00 0.00 H new ATOM 0 HE2 PHE A 44 26.650 15.747 -3.453 1.00 0.00 H new ATOM 0 HZ PHE A 44 25.619 16.467 -5.581 1.00 0.00 H new ATOM 601 N ASN A 45 31.380 15.375 -4.773 1.00 0.00 N ATOM 602 CA ASN A 45 31.764 16.352 -3.724 1.00 0.00 C ATOM 603 C ASN A 45 30.597 16.710 -2.738 1.00 0.00 C ATOM 604 O ASN A 45 29.951 17.755 -2.851 1.00 0.00 O ATOM 605 CB ASN A 45 32.427 17.559 -4.449 1.00 0.00 C ATOM 606 CG ASN A 45 31.569 18.402 -5.414 1.00 0.00 C ATOM 607 OD1 ASN A 45 30.979 17.902 -6.366 1.00 0.00 O ATOM 608 ND2 ASN A 45 31.472 19.694 -5.214 1.00 0.00 N ATOM 0 H ASN A 45 31.179 15.806 -5.675 1.00 0.00 H new ATOM 0 HA ASN A 45 32.491 15.917 -3.038 1.00 0.00 H new ATOM 0 HB2 ASN A 45 32.820 18.229 -3.684 1.00 0.00 H new ATOM 0 HB3 ASN A 45 33.281 17.180 -5.010 1.00 0.00 H new ATOM 0 HD21 ASN A 45 30.912 20.267 -5.845 1.00 0.00 H new ATOM 0 HD22 ASN A 45 31.956 20.126 -4.427 1.00 0.00 H new ATOM 615 N TYR A 46 30.355 15.835 -1.746 1.00 0.00 N ATOM 616 CA TYR A 46 29.278 16.027 -0.730 1.00 0.00 C ATOM 617 C TYR A 46 29.531 17.226 0.247 1.00 0.00 C ATOM 618 O TYR A 46 30.680 17.547 0.570 1.00 0.00 O ATOM 619 CB TYR A 46 29.116 14.712 0.091 1.00 0.00 C ATOM 620 CG TYR A 46 28.564 13.484 -0.652 1.00 0.00 C ATOM 621 CD1 TYR A 46 27.188 13.330 -0.843 1.00 0.00 C ATOM 622 CD2 TYR A 46 29.434 12.485 -1.101 1.00 0.00 C ATOM 623 CE1 TYR A 46 26.688 12.188 -1.466 1.00 0.00 C ATOM 624 CE2 TYR A 46 28.932 11.344 -1.720 1.00 0.00 C ATOM 625 CZ TYR A 46 27.561 11.188 -1.895 1.00 0.00 C ATOM 626 OH TYR A 46 27.083 10.019 -2.429 1.00 0.00 O ATOM 0 H TYR A 46 30.891 14.977 -1.617 1.00 0.00 H new ATOM 0 HA TYR A 46 28.368 16.269 -1.279 1.00 0.00 H new ATOM 0 HB2 TYR A 46 30.090 14.448 0.502 1.00 0.00 H new ATOM 0 HB3 TYR A 46 28.459 14.920 0.936 1.00 0.00 H new ATOM 0 HD1 TYR A 46 26.509 14.100 -0.506 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.499 12.600 -0.967 1.00 0.00 H new ATOM 0 HE1 TYR A 46 25.624 12.077 -1.617 1.00 0.00 H new ATOM 0 HE2 TYR A 46 29.609 10.577 -2.066 1.00 0.00 H new ATOM 0 HH TYR A 46 26.103 10.041 -2.439 1.00 0.00 H new ATOM 636 N SER A 47 28.456 17.858 0.766 1.00 0.00 N ATOM 637 CA SER A 47 28.592 18.912 1.816 1.00 0.00 C ATOM 638 C SER A 47 29.070 18.369 3.208 1.00 0.00 C ATOM 639 O SER A 47 28.849 17.202 3.558 1.00 0.00 O ATOM 640 CB SER A 47 27.296 19.765 1.899 1.00 0.00 C ATOM 641 OG SER A 47 26.239 19.132 2.625 1.00 0.00 O ATOM 0 H SER A 47 27.494 17.666 0.485 1.00 0.00 H new ATOM 0 HA SER A 47 29.404 19.570 1.505 1.00 0.00 H new ATOM 0 HB2 SER A 47 27.529 20.719 2.371 1.00 0.00 H new ATOM 0 HB3 SER A 47 26.951 19.985 0.889 1.00 0.00 H new ATOM 0 HG SER A 47 25.756 19.803 3.152 1.00 0.00 H new ATOM 647 N ASP A 48 29.728 19.231 4.010 1.00 0.00 N ATOM 648 CA ASP A 48 30.306 18.847 5.333 1.00 0.00 C ATOM 649 C ASP A 48 29.334 18.160 6.364 1.00 0.00 C ATOM 650 O ASP A 48 29.730 17.104 6.866 1.00 0.00 O ATOM 651 CB ASP A 48 31.050 20.075 5.923 1.00 0.00 C ATOM 652 CG ASP A 48 32.164 19.710 6.902 1.00 0.00 C ATOM 653 OD1 ASP A 48 33.294 19.384 6.559 1.00 0.00 O ATOM 654 OD2 ASP A 48 31.756 19.776 8.199 1.00 0.00 O ATOM 0 H ASP A 48 29.878 20.211 3.769 1.00 0.00 H new ATOM 0 HA ASP A 48 31.004 18.034 5.135 1.00 0.00 H new ATOM 0 HB2 ASP A 48 31.474 20.658 5.106 1.00 0.00 H new ATOM 0 HB3 ASP A 48 30.329 20.716 6.430 1.00 0.00 H new ATOM 659 N PRO A 49 28.090 18.634 6.682 1.00 0.00 N ATOM 660 CA PRO A 49 27.128 17.854 7.507 1.00 0.00 C ATOM 661 C PRO A 49 26.549 16.536 6.897 1.00 0.00 C ATOM 662 O PRO A 49 26.181 15.660 7.676 1.00 0.00 O ATOM 663 CB PRO A 49 26.069 18.902 7.882 1.00 0.00 C ATOM 664 CG PRO A 49 26.158 19.991 6.817 1.00 0.00 C ATOM 665 CD PRO A 49 27.560 19.929 6.218 1.00 0.00 C ATOM 0 HA PRO A 49 27.634 17.409 8.364 1.00 0.00 H new ATOM 0 HB2 PRO A 49 25.073 18.459 7.905 1.00 0.00 H new ATOM 0 HB3 PRO A 49 26.259 19.311 8.874 1.00 0.00 H new ATOM 0 HG2 PRO A 49 25.404 19.836 6.046 1.00 0.00 H new ATOM 0 HG3 PRO A 49 25.970 20.972 7.254 1.00 0.00 H new ATOM 0 HD2 PRO A 49 27.532 19.982 5.130 1.00 0.00 H new ATOM 0 HD3 PRO A 49 28.178 20.759 6.561 1.00 0.00 H new ATOM 673 N MET A 50 26.506 16.341 5.560 1.00 0.00 N ATOM 674 CA MET A 50 26.333 14.980 4.960 1.00 0.00 C ATOM 675 C MET A 50 27.550 14.021 5.202 1.00 0.00 C ATOM 676 O MET A 50 27.343 12.886 5.641 1.00 0.00 O ATOM 677 CB MET A 50 25.917 15.126 3.469 1.00 0.00 C ATOM 678 CG MET A 50 25.576 13.791 2.763 1.00 0.00 C ATOM 679 SD MET A 50 24.451 14.013 1.373 1.00 0.00 S ATOM 680 CE MET A 50 22.871 14.191 2.218 1.00 0.00 C ATOM 0 H MET A 50 26.587 17.093 4.875 1.00 0.00 H new ATOM 0 HA MET A 50 25.523 14.472 5.484 1.00 0.00 H new ATOM 0 HB2 MET A 50 25.051 15.785 3.410 1.00 0.00 H new ATOM 0 HB3 MET A 50 26.726 15.613 2.925 1.00 0.00 H new ATOM 0 HG2 MET A 50 26.496 13.325 2.411 1.00 0.00 H new ATOM 0 HG3 MET A 50 25.128 13.107 3.483 1.00 0.00 H new ATOM 0 HE1 MET A 50 22.213 14.829 1.628 1.00 0.00 H new ATOM 0 HE2 MET A 50 22.411 13.210 2.340 1.00 0.00 H new ATOM 0 HE3 MET A 50 23.031 14.641 3.198 1.00 0.00 H new ATOM 690 N LYS A 51 28.799 14.476 4.977 1.00 0.00 N ATOM 691 CA LYS A 51 30.030 13.743 5.408 1.00 0.00 C ATOM 692 C LYS A 51 30.141 13.435 6.942 1.00 0.00 C ATOM 693 O LYS A 51 30.451 12.300 7.313 1.00 0.00 O ATOM 694 CB LYS A 51 31.288 14.485 4.872 1.00 0.00 C ATOM 695 CG LYS A 51 31.406 14.588 3.329 1.00 0.00 C ATOM 696 CD LYS A 51 32.709 15.230 2.809 1.00 0.00 C ATOM 697 CE LYS A 51 32.860 16.722 3.155 1.00 0.00 C ATOM 698 NZ LYS A 51 34.035 17.292 2.471 1.00 0.00 N ATOM 0 H LYS A 51 28.994 15.354 4.496 1.00 0.00 H new ATOM 0 HA LYS A 51 29.957 12.751 4.963 1.00 0.00 H new ATOM 0 HB2 LYS A 51 31.295 15.493 5.286 1.00 0.00 H new ATOM 0 HB3 LYS A 51 32.175 13.978 5.252 1.00 0.00 H new ATOM 0 HG2 LYS A 51 31.320 13.587 2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 51 30.561 15.166 2.954 1.00 0.00 H new ATOM 0 HD2 LYS A 51 33.559 14.685 3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 51 32.751 15.114 1.726 1.00 0.00 H new ATOM 0 HE2 LYS A 51 31.961 17.263 2.859 1.00 0.00 H new ATOM 0 HE3 LYS A 51 32.965 16.843 4.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 34.124 18.299 2.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 34.892 16.786 2.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 33.920 17.193 1.442 1.00 0.00 H new ATOM 711 N ALA A 52 29.855 14.410 7.824 1.00 0.00 N ATOM 712 CA ALA A 52 29.767 14.183 9.291 1.00 0.00 C ATOM 713 C ALA A 52 28.538 13.391 9.861 1.00 0.00 C ATOM 714 O ALA A 52 28.621 12.933 11.003 1.00 0.00 O ATOM 715 CB ALA A 52 29.849 15.584 9.918 1.00 0.00 C ATOM 0 H ALA A 52 29.678 15.376 7.548 1.00 0.00 H new ATOM 0 HA ALA A 52 30.580 13.505 9.552 1.00 0.00 H new ATOM 0 HB1 ALA A 52 29.791 15.501 11.003 1.00 0.00 H new ATOM 0 HB2 ALA A 52 30.793 16.052 9.640 1.00 0.00 H new ATOM 0 HB3 ALA A 52 29.021 16.194 9.556 1.00 0.00 H new ATOM 721 N HIS A 53 27.425 13.212 9.117 1.00 0.00 N ATOM 722 CA HIS A 53 26.251 12.408 9.574 1.00 0.00 C ATOM 723 C HIS A 53 26.567 10.895 9.844 1.00 0.00 C ATOM 724 O HIS A 53 26.301 10.410 10.948 1.00 0.00 O ATOM 725 CB HIS A 53 25.095 12.644 8.558 1.00 0.00 C ATOM 726 CG HIS A 53 23.715 12.104 8.945 1.00 0.00 C ATOM 727 ND1 HIS A 53 23.286 10.810 8.684 1.00 0.00 N ATOM 728 CD2 HIS A 53 22.675 12.860 9.509 1.00 0.00 C ATOM 729 CE1 HIS A 53 21.998 10.904 9.141 1.00 0.00 C ATOM 730 NE2 HIS A 53 21.535 12.090 9.645 1.00 0.00 N ATOM 0 H HIS A 53 27.307 13.614 8.187 1.00 0.00 H new ATOM 0 HA HIS A 53 25.944 12.753 10.561 1.00 0.00 H new ATOM 0 HB2 HIS A 53 25.005 13.717 8.389 1.00 0.00 H new ATOM 0 HB3 HIS A 53 25.381 12.195 7.607 1.00 0.00 H new ATOM 0 HD2 HIS A 53 22.755 13.898 9.796 1.00 0.00 H new ATOM 0 HE1 HIS A 53 21.348 10.043 9.104 1.00 0.00 H new ATOM 0 HE2 HIS A 53 20.616 12.334 10.014 1.00 0.00 H new ATOM 738 N GLY A 54 27.138 10.168 8.863 1.00 0.00 N ATOM 739 CA GLY A 54 27.567 8.760 9.065 1.00 0.00 C ATOM 740 C GLY A 54 26.462 7.680 9.008 1.00 0.00 C ATOM 741 O GLY A 54 25.270 7.948 8.837 1.00 0.00 O ATOM 0 H GLY A 54 27.314 10.526 7.924 1.00 0.00 H new ATOM 0 HA2 GLY A 54 28.315 8.521 8.309 1.00 0.00 H new ATOM 0 HA3 GLY A 54 28.060 8.691 10.035 1.00 0.00 H new ATOM 745 N GLY A 55 26.894 6.418 9.140 1.00 0.00 N ATOM 746 CA GLY A 55 25.979 5.253 9.004 1.00 0.00 C ATOM 747 C GLY A 55 25.564 4.916 7.553 1.00 0.00 C ATOM 748 O GLY A 55 26.329 5.120 6.606 1.00 0.00 O ATOM 0 H GLY A 55 27.863 6.168 9.339 1.00 0.00 H new ATOM 0 HA2 GLY A 55 26.461 4.378 9.441 1.00 0.00 H new ATOM 0 HA3 GLY A 55 25.079 5.446 9.588 1.00 0.00 H new ATOM 752 N ASP A 56 24.352 4.369 7.390 1.00 0.00 N ATOM 753 CA ASP A 56 23.853 3.882 6.071 1.00 0.00 C ATOM 754 C ASP A 56 22.411 4.394 5.780 1.00 0.00 C ATOM 755 O ASP A 56 21.595 4.609 6.686 1.00 0.00 O ATOM 756 CB ASP A 56 23.899 2.327 5.992 1.00 0.00 C ATOM 757 CG ASP A 56 25.294 1.687 6.089 1.00 0.00 C ATOM 758 OD1 ASP A 56 25.959 1.686 7.122 1.00 0.00 O ATOM 759 OD2 ASP A 56 25.714 1.127 4.913 1.00 0.00 O ATOM 0 H ASP A 56 23.686 4.247 8.153 1.00 0.00 H new ATOM 0 HA ASP A 56 24.517 4.287 5.307 1.00 0.00 H new ATOM 0 HB2 ASP A 56 23.280 1.924 6.794 1.00 0.00 H new ATOM 0 HB3 ASP A 56 23.444 2.017 5.051 1.00 0.00 H new ATOM 764 N TRP A 57 22.066 4.498 4.483 1.00 0.00 N ATOM 765 CA TRP A 57 20.683 4.805 4.031 1.00 0.00 C ATOM 766 C TRP A 57 19.719 3.581 4.148 1.00 0.00 C ATOM 767 O TRP A 57 19.333 2.933 3.171 1.00 0.00 O ATOM 768 CB TRP A 57 20.745 5.408 2.600 1.00 0.00 C ATOM 769 CG TRP A 57 21.233 6.859 2.520 1.00 0.00 C ATOM 770 CD1 TRP A 57 22.413 7.286 1.880 1.00 0.00 C ATOM 771 CD2 TRP A 57 20.694 7.996 3.109 1.00 0.00 C ATOM 772 NE1 TRP A 57 22.616 8.667 2.041 1.00 0.00 N ATOM 773 CE2 TRP A 57 21.554 9.082 2.820 1.00 0.00 C ATOM 774 CE3 TRP A 57 19.579 8.178 3.971 1.00 0.00 C ATOM 775 CZ2 TRP A 57 21.324 10.348 3.401 1.00 0.00 C ATOM 776 CZ3 TRP A 57 19.378 9.433 4.543 1.00 0.00 C ATOM 777 CH2 TRP A 57 20.241 10.501 4.267 1.00 0.00 C ATOM 0 H TRP A 57 22.729 4.374 3.718 1.00 0.00 H new ATOM 0 HA TRP A 57 20.248 5.548 4.700 1.00 0.00 H new ATOM 0 HB2 TRP A 57 21.402 4.787 1.990 1.00 0.00 H new ATOM 0 HB3 TRP A 57 19.751 5.352 2.157 1.00 0.00 H new ATOM 0 HD1 TRP A 57 23.078 6.634 1.334 1.00 0.00 H new ATOM 0 HE1 TRP A 57 23.376 9.235 1.667 1.00 0.00 H new ATOM 0 HE3 TRP A 57 18.902 7.362 4.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.974 11.182 3.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 18.543 9.584 5.210 1.00 0.00 H new ATOM 0 HH2 TRP A 57 20.065 11.459 4.733 1.00 0.00 H new ATOM 788 N THR A 58 19.304 3.317 5.392 1.00 0.00 N ATOM 789 CA THR A 58 18.242 2.332 5.733 1.00 0.00 C ATOM 790 C THR A 58 16.804 2.851 5.349 1.00 0.00 C ATOM 791 O THR A 58 16.618 4.070 5.235 1.00 0.00 O ATOM 792 CB THR A 58 18.338 1.993 7.258 1.00 0.00 C ATOM 793 OG1 THR A 58 18.145 3.146 8.071 1.00 0.00 O ATOM 794 CG2 THR A 58 19.651 1.331 7.712 1.00 0.00 C ATOM 0 H THR A 58 19.695 3.783 6.211 1.00 0.00 H new ATOM 0 HA THR A 58 18.402 1.427 5.147 1.00 0.00 H new ATOM 0 HB THR A 58 17.537 1.266 7.390 1.00 0.00 H new ATOM 0 HG1 THR A 58 18.210 2.895 9.016 1.00 0.00 H new ATOM 0 HG21 THR A 58 19.610 1.140 8.784 1.00 0.00 H new ATOM 0 HG22 THR A 58 19.786 0.389 7.180 1.00 0.00 H new ATOM 0 HG23 THR A 58 20.488 1.995 7.493 1.00 0.00 H new ATOM 802 N PRO A 59 15.740 2.009 5.175 1.00 0.00 N ATOM 803 CA PRO A 59 14.361 2.509 4.879 1.00 0.00 C ATOM 804 C PRO A 59 13.717 3.515 5.900 1.00 0.00 C ATOM 805 O PRO A 59 13.045 4.460 5.478 1.00 0.00 O ATOM 806 CB PRO A 59 13.576 1.201 4.648 1.00 0.00 C ATOM 807 CG PRO A 59 14.372 0.096 5.344 1.00 0.00 C ATOM 808 CD PRO A 59 15.832 0.536 5.245 1.00 0.00 C ATOM 0 HA PRO A 59 14.357 3.177 4.018 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.569 1.274 5.060 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.471 0.993 3.583 1.00 0.00 H new ATOM 0 HG2 PRO A 59 14.064 -0.017 6.383 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.217 -0.868 4.859 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.410 0.210 6.110 1.00 0.00 H new ATOM 0 HD3 PRO A 59 16.318 0.121 4.362 1.00 0.00 H new ATOM 816 N GLU A 60 13.991 3.370 7.212 1.00 0.00 N ATOM 817 CA GLU A 60 13.714 4.427 8.229 1.00 0.00 C ATOM 818 C GLU A 60 14.521 5.765 8.044 1.00 0.00 C ATOM 819 O GLU A 60 13.903 6.835 8.040 1.00 0.00 O ATOM 820 CB GLU A 60 13.887 3.786 9.634 1.00 0.00 C ATOM 821 CG GLU A 60 13.367 4.655 10.808 1.00 0.00 C ATOM 822 CD GLU A 60 13.505 3.989 12.175 1.00 0.00 C ATOM 823 OE1 GLU A 60 14.771 4.102 12.676 1.00 0.00 O ATOM 824 OE2 GLU A 60 12.579 3.423 12.747 1.00 0.00 O ATOM 0 H GLU A 60 14.408 2.526 7.604 1.00 0.00 H new ATOM 0 HA GLU A 60 12.688 4.769 8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.366 2.829 9.649 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.944 3.576 9.795 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.911 5.599 10.818 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.318 4.893 10.634 1.00 0.00 H new ATOM 831 N ALA A 61 15.862 5.723 7.875 1.00 0.00 N ATOM 832 CA ALA A 61 16.672 6.927 7.527 1.00 0.00 C ATOM 833 C ALA A 61 16.304 7.645 6.185 1.00 0.00 C ATOM 834 O ALA A 61 16.155 8.871 6.174 1.00 0.00 O ATOM 835 CB ALA A 61 18.154 6.506 7.573 1.00 0.00 C ATOM 0 H ALA A 61 16.413 4.870 7.973 1.00 0.00 H new ATOM 0 HA ALA A 61 16.444 7.698 8.264 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.783 7.361 7.324 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.401 6.153 8.574 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.327 5.706 6.854 1.00 0.00 H new ATOM 841 N LEU A 62 16.098 6.894 5.083 1.00 0.00 N ATOM 842 CA LEU A 62 15.504 7.429 3.824 1.00 0.00 C ATOM 843 C LEU A 62 14.092 8.076 3.979 1.00 0.00 C ATOM 844 O LEU A 62 13.920 9.205 3.522 1.00 0.00 O ATOM 845 CB LEU A 62 15.485 6.314 2.737 1.00 0.00 C ATOM 846 CG LEU A 62 16.849 5.923 2.115 1.00 0.00 C ATOM 847 CD1 LEU A 62 16.717 4.603 1.341 1.00 0.00 C ATOM 848 CD2 LEU A 62 17.391 7.011 1.169 1.00 0.00 C ATOM 0 H LEU A 62 16.335 5.903 5.033 1.00 0.00 H new ATOM 0 HA LEU A 62 16.150 8.252 3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.042 5.420 3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.824 6.635 1.932 1.00 0.00 H new ATOM 0 HG LEU A 62 17.555 5.809 2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.681 4.337 0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.394 3.814 2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.982 4.720 0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 62 18.349 6.691 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.683 7.172 0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.526 7.940 1.723 1.00 0.00 H new ATOM 860 N GLN A 63 13.096 7.429 4.623 1.00 0.00 N ATOM 861 CA GLN A 63 11.759 8.060 4.850 1.00 0.00 C ATOM 862 C GLN A 63 11.735 9.330 5.775 1.00 0.00 C ATOM 863 O GLN A 63 10.965 10.257 5.514 1.00 0.00 O ATOM 864 CB GLN A 63 10.706 6.959 5.167 1.00 0.00 C ATOM 865 CG GLN A 63 10.516 6.496 6.635 1.00 0.00 C ATOM 866 CD GLN A 63 9.583 7.356 7.502 1.00 0.00 C ATOM 867 OE1 GLN A 63 8.701 8.075 7.036 1.00 0.00 O ATOM 868 NE2 GLN A 63 9.732 7.287 8.802 1.00 0.00 N ATOM 0 H GLN A 63 13.181 6.483 4.994 1.00 0.00 H new ATOM 0 HA GLN A 63 11.463 8.530 3.912 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.741 7.315 4.807 1.00 0.00 H new ATOM 0 HB3 GLN A 63 10.962 6.080 4.576 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.132 5.476 6.626 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.495 6.463 7.113 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.460 6.694 9.201 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.120 7.826 9.415 1.00 0.00 H new ATOM 877 N GLU A 64 12.596 9.417 6.806 1.00 0.00 N ATOM 878 CA GLU A 64 12.905 10.704 7.503 1.00 0.00 C ATOM 879 C GLU A 64 13.579 11.797 6.604 1.00 0.00 C ATOM 880 O GLU A 64 13.038 12.902 6.504 1.00 0.00 O ATOM 881 CB GLU A 64 13.725 10.431 8.798 1.00 0.00 C ATOM 882 CG GLU A 64 13.027 9.632 9.928 1.00 0.00 C ATOM 883 CD GLU A 64 11.800 10.302 10.547 1.00 0.00 C ATOM 884 OE1 GLU A 64 10.663 10.039 9.838 1.00 0.00 O ATOM 885 OE2 GLU A 64 11.844 10.994 11.559 1.00 0.00 O ATOM 0 H GLU A 64 13.098 8.614 7.185 1.00 0.00 H new ATOM 0 HA GLU A 64 11.942 11.139 7.770 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.631 9.895 8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.037 11.391 9.208 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.728 8.662 9.532 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.754 9.444 10.718 1.00 0.00 H new ATOM 892 N PHE A 65 14.717 11.512 5.937 1.00 0.00 N ATOM 893 CA PHE A 65 15.354 12.465 4.974 1.00 0.00 C ATOM 894 C PHE A 65 14.474 12.895 3.750 1.00 0.00 C ATOM 895 O PHE A 65 14.453 14.075 3.403 1.00 0.00 O ATOM 896 CB PHE A 65 16.723 11.856 4.563 1.00 0.00 C ATOM 897 CG PHE A 65 17.635 12.770 3.721 1.00 0.00 C ATOM 898 CD1 PHE A 65 18.281 13.864 4.308 1.00 0.00 C ATOM 899 CD2 PHE A 65 17.819 12.517 2.357 1.00 0.00 C ATOM 900 CE1 PHE A 65 19.067 14.714 3.533 1.00 0.00 C ATOM 901 CE2 PHE A 65 18.624 13.356 1.591 1.00 0.00 C ATOM 902 CZ PHE A 65 19.232 14.463 2.174 1.00 0.00 C ATOM 0 H PHE A 65 15.222 10.632 6.041 1.00 0.00 H new ATOM 0 HA PHE A 65 15.488 13.420 5.483 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.260 11.572 5.468 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.539 10.940 4.001 1.00 0.00 H new ATOM 0 HD1 PHE A 65 18.170 14.050 5.366 1.00 0.00 H new ATOM 0 HD2 PHE A 65 17.335 11.668 1.897 1.00 0.00 H new ATOM 0 HE1 PHE A 65 19.548 15.568 3.987 1.00 0.00 H new ATOM 0 HE2 PHE A 65 18.777 13.147 0.542 1.00 0.00 H new ATOM 0 HZ PHE A 65 19.833 15.128 1.572 1.00 0.00 H new ATOM 912 N LEU A 66 13.729 11.974 3.119 1.00 0.00 N ATOM 913 CA LEU A 66 12.710 12.324 2.088 1.00 0.00 C ATOM 914 C LEU A 66 11.386 12.974 2.624 1.00 0.00 C ATOM 915 O LEU A 66 10.701 13.630 1.838 1.00 0.00 O ATOM 916 CB LEU A 66 12.444 11.083 1.189 1.00 0.00 C ATOM 917 CG LEU A 66 13.668 10.452 0.464 1.00 0.00 C ATOM 918 CD1 LEU A 66 13.253 9.174 -0.280 1.00 0.00 C ATOM 919 CD2 LEU A 66 14.361 11.431 -0.497 1.00 0.00 C ATOM 0 H LEU A 66 13.806 10.973 3.299 1.00 0.00 H new ATOM 0 HA LEU A 66 13.142 13.130 1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.983 10.312 1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.712 11.365 0.432 1.00 0.00 H new ATOM 0 HG LEU A 66 14.395 10.200 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 66 14.121 8.746 -0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.853 8.452 0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.490 9.415 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 66 15.207 10.936 -0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.653 11.754 -1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.715 12.298 0.060 1.00 0.00 H new ATOM 931 N THR A 67 11.044 12.879 3.929 1.00 0.00 N ATOM 932 CA THR A 67 10.103 13.829 4.592 1.00 0.00 C ATOM 933 C THR A 67 10.697 15.280 4.660 1.00 0.00 C ATOM 934 O THR A 67 10.122 16.186 4.056 1.00 0.00 O ATOM 935 CB THR A 67 9.680 13.301 6.002 1.00 0.00 C ATOM 936 OG1 THR A 67 9.185 11.972 5.947 1.00 0.00 O ATOM 937 CG2 THR A 67 8.558 14.116 6.653 1.00 0.00 C ATOM 0 H THR A 67 11.403 12.154 4.551 1.00 0.00 H new ATOM 0 HA THR A 67 9.202 13.889 3.981 1.00 0.00 H new ATOM 0 HB THR A 67 10.598 13.377 6.585 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.908 11.345 6.158 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.318 13.691 7.628 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.884 15.149 6.778 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.673 14.089 6.018 1.00 0.00 H new ATOM 945 N ASN A 68 11.819 15.492 5.380 1.00 0.00 N ATOM 946 CA ASN A 68 12.444 16.832 5.537 1.00 0.00 C ATOM 947 C ASN A 68 13.997 16.724 5.325 1.00 0.00 C ATOM 948 O ASN A 68 14.697 16.347 6.276 1.00 0.00 O ATOM 949 CB ASN A 68 12.131 17.398 6.949 1.00 0.00 C ATOM 950 CG ASN A 68 10.721 17.919 7.234 1.00 0.00 C ATOM 951 OD1 ASN A 68 9.941 18.284 6.362 1.00 0.00 O ATOM 952 ND2 ASN A 68 10.383 18.050 8.494 1.00 0.00 N ATOM 0 H ASN A 68 12.318 14.748 5.868 1.00 0.00 H new ATOM 0 HA ASN A 68 12.034 17.510 4.789 1.00 0.00 H new ATOM 0 HB2 ASN A 68 12.347 16.614 7.675 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.830 18.212 7.141 1.00 0.00 H new ATOM 0 HD21 ASN A 68 9.479 18.452 8.740 1.00 0.00 H new ATOM 0 HD22 ASN A 68 11.024 17.750 9.228 1.00 0.00 H new ATOM 959 N PRO A 69 14.603 17.072 4.153 1.00 0.00 N ATOM 960 CA PRO A 69 16.073 16.920 3.945 1.00 0.00 C ATOM 961 C PRO A 69 16.972 17.978 4.662 1.00 0.00 C ATOM 962 O PRO A 69 17.932 17.607 5.341 1.00 0.00 O ATOM 963 CB PRO A 69 16.180 16.872 2.411 1.00 0.00 C ATOM 964 CG PRO A 69 14.976 17.658 1.892 1.00 0.00 C ATOM 965 CD PRO A 69 13.868 17.445 2.927 1.00 0.00 C ATOM 0 HA PRO A 69 16.479 16.027 4.421 1.00 0.00 H new ATOM 0 HB2 PRO A 69 17.115 17.316 2.069 1.00 0.00 H new ATOM 0 HB3 PRO A 69 16.163 15.844 2.049 1.00 0.00 H new ATOM 0 HG2 PRO A 69 15.215 18.716 1.786 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.668 17.300 0.909 1.00 0.00 H new ATOM 0 HD2 PRO A 69 13.277 18.349 3.073 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.178 16.660 2.619 1.00 0.00 H new ATOM 973 N LYS A 70 16.617 19.270 4.559 1.00 0.00 N ATOM 974 CA LYS A 70 17.233 20.376 5.353 1.00 0.00 C ATOM 975 C LYS A 70 17.079 20.294 6.914 1.00 0.00 C ATOM 976 O LYS A 70 17.997 20.714 7.620 1.00 0.00 O ATOM 977 CB LYS A 70 16.667 21.731 4.835 1.00 0.00 C ATOM 978 CG LYS A 70 16.969 22.139 3.371 1.00 0.00 C ATOM 979 CD LYS A 70 18.427 22.568 3.111 1.00 0.00 C ATOM 980 CE LYS A 70 18.596 23.124 1.688 1.00 0.00 C ATOM 981 NZ LYS A 70 19.971 23.606 1.475 1.00 0.00 N ATOM 0 H LYS A 70 15.889 19.591 3.920 1.00 0.00 H new ATOM 0 HA LYS A 70 18.307 20.280 5.193 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.584 21.708 4.958 1.00 0.00 H new ATOM 0 HB3 LYS A 70 17.045 22.520 5.485 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.729 21.300 2.717 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.308 22.960 3.093 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.721 23.325 3.838 1.00 0.00 H new ATOM 0 HD3 LYS A 70 19.091 21.715 3.253 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.361 22.348 0.959 1.00 0.00 H new ATOM 0 HE3 LYS A 70 17.891 23.939 1.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 20.010 24.171 0.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 20.261 24.195 2.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.614 22.793 1.390 1.00 0.00 H new ATOM 994 N ALA A 71 15.958 19.779 7.464 1.00 0.00 N ATOM 995 CA ALA A 71 15.848 19.480 8.923 1.00 0.00 C ATOM 996 C ALA A 71 16.671 18.245 9.419 1.00 0.00 C ATOM 997 O ALA A 71 17.313 18.333 10.468 1.00 0.00 O ATOM 998 CB ALA A 71 14.357 19.354 9.296 1.00 0.00 C ATOM 0 H ALA A 71 15.117 19.560 6.930 1.00 0.00 H new ATOM 0 HA ALA A 71 16.307 20.319 9.446 1.00 0.00 H new ATOM 0 HB1 ALA A 71 14.265 19.136 10.360 1.00 0.00 H new ATOM 0 HB2 ALA A 71 13.846 20.290 9.072 1.00 0.00 H new ATOM 0 HB3 ALA A 71 13.905 18.547 8.720 1.00 0.00 H new ATOM 1004 N VAL A 72 16.670 17.112 8.683 1.00 0.00 N ATOM 1005 CA VAL A 72 17.511 15.918 9.013 1.00 0.00 C ATOM 1006 C VAL A 72 19.046 16.182 8.816 1.00 0.00 C ATOM 1007 O VAL A 72 19.809 15.966 9.761 1.00 0.00 O ATOM 1008 CB VAL A 72 16.960 14.649 8.268 1.00 0.00 C ATOM 1009 CG1 VAL A 72 17.853 13.391 8.407 1.00 0.00 C ATOM 1010 CG2 VAL A 72 15.540 14.244 8.734 1.00 0.00 C ATOM 0 H VAL A 72 16.095 16.990 7.849 1.00 0.00 H new ATOM 0 HA VAL A 72 17.426 15.712 10.080 1.00 0.00 H new ATOM 0 HB VAL A 72 16.948 14.970 7.226 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.400 12.562 7.864 1.00 0.00 H new ATOM 0 HG12 VAL A 72 18.841 13.599 7.995 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.947 13.126 9.460 1.00 0.00 H new ATOM 0 HG21 VAL A 72 15.214 13.362 8.183 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.557 14.020 9.801 1.00 0.00 H new ATOM 0 HG23 VAL A 72 14.848 15.065 8.546 1.00 0.00 H new ATOM 1020 N VAL A 73 19.502 16.629 7.627 1.00 0.00 N ATOM 1021 CA VAL A 73 20.909 17.086 7.432 1.00 0.00 C ATOM 1022 C VAL A 73 20.880 18.649 7.328 1.00 0.00 C ATOM 1023 O VAL A 73 20.596 19.214 6.264 1.00 0.00 O ATOM 1024 CB VAL A 73 21.603 16.394 6.210 1.00 0.00 C ATOM 1025 CG1 VAL A 73 23.071 16.854 6.042 1.00 0.00 C ATOM 1026 CG2 VAL A 73 21.631 14.848 6.276 1.00 0.00 C ATOM 0 H VAL A 73 18.926 16.686 6.787 1.00 0.00 H new ATOM 0 HA VAL A 73 21.524 16.790 8.282 1.00 0.00 H new ATOM 0 HB VAL A 73 20.985 16.701 5.367 1.00 0.00 H new ATOM 0 HG11 VAL A 73 23.514 16.350 5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 73 23.099 17.932 5.884 1.00 0.00 H new ATOM 0 HG13 VAL A 73 23.636 16.605 6.940 1.00 0.00 H new ATOM 0 HG21 VAL A 73 22.130 14.455 5.390 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.172 14.532 7.168 1.00 0.00 H new ATOM 0 HG23 VAL A 73 20.611 14.467 6.317 1.00 0.00 H new ATOM 1036 N LYS A 74 21.223 19.345 8.429 1.00 0.00 N ATOM 1037 CA LYS A 74 21.262 20.835 8.465 1.00 0.00 C ATOM 1038 C LYS A 74 22.517 21.391 7.712 1.00 0.00 C ATOM 1039 O LYS A 74 23.630 21.394 8.242 1.00 0.00 O ATOM 1040 CB LYS A 74 21.154 21.268 9.952 1.00 0.00 C ATOM 1041 CG LYS A 74 20.928 22.783 10.163 1.00 0.00 C ATOM 1042 CD LYS A 74 20.783 23.153 11.651 1.00 0.00 C ATOM 1043 CE LYS A 74 20.550 24.658 11.850 1.00 0.00 C ATOM 1044 NZ LYS A 74 20.420 24.967 13.286 1.00 0.00 N ATOM 0 H LYS A 74 21.479 18.905 9.313 1.00 0.00 H new ATOM 0 HA LYS A 74 20.421 21.270 7.926 1.00 0.00 H new ATOM 0 HB2 LYS A 74 20.333 20.723 10.418 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.067 20.974 10.470 1.00 0.00 H new ATOM 0 HG2 LYS A 74 21.764 23.336 9.734 1.00 0.00 H new ATOM 0 HG3 LYS A 74 20.032 23.092 9.625 1.00 0.00 H new ATOM 0 HD2 LYS A 74 19.951 22.597 12.083 1.00 0.00 H new ATOM 0 HD3 LYS A 74 21.682 22.851 12.189 1.00 0.00 H new ATOM 0 HE2 LYS A 74 21.379 25.222 11.423 1.00 0.00 H new ATOM 0 HE3 LYS A 74 19.649 24.967 11.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 20.263 25.988 13.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 19.614 24.442 13.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 21.291 24.689 13.781 1.00 0.00 H new ATOM 1057 N GLY A 75 22.318 21.812 6.451 1.00 0.00 N ATOM 1058 CA GLY A 75 23.437 22.068 5.496 1.00 0.00 C ATOM 1059 C GLY A 75 23.712 21.014 4.388 1.00 0.00 C ATOM 1060 O GLY A 75 24.825 20.965 3.853 1.00 0.00 O ATOM 0 H GLY A 75 21.393 21.986 6.058 1.00 0.00 H new ATOM 0 HA2 GLY A 75 23.245 23.023 5.007 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.351 22.186 6.078 1.00 0.00 H new ATOM 1064 N THR A 76 22.714 20.214 3.976 1.00 0.00 N ATOM 1065 CA THR A 76 22.736 19.514 2.662 1.00 0.00 C ATOM 1066 C THR A 76 22.586 20.521 1.481 1.00 0.00 C ATOM 1067 O THR A 76 21.703 21.383 1.494 1.00 0.00 O ATOM 1068 CB THR A 76 21.688 18.363 2.612 1.00 0.00 C ATOM 1069 OG1 THR A 76 21.831 17.631 1.400 1.00 0.00 O ATOM 1070 CG2 THR A 76 20.199 18.736 2.722 1.00 0.00 C ATOM 0 H THR A 76 21.877 20.030 4.529 1.00 0.00 H new ATOM 0 HA THR A 76 23.713 19.044 2.546 1.00 0.00 H new ATOM 0 HB THR A 76 21.922 17.799 3.515 1.00 0.00 H new ATOM 0 HG1 THR A 76 21.171 16.907 1.375 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.593 17.832 2.672 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.020 19.241 3.671 1.00 0.00 H new ATOM 0 HG23 THR A 76 19.929 19.400 1.901 1.00 0.00 H new ATOM 1078 N LYS A 77 23.405 20.372 0.429 1.00 0.00 N ATOM 1079 CA LYS A 77 23.150 21.075 -0.873 1.00 0.00 C ATOM 1080 C LYS A 77 21.956 20.539 -1.758 1.00 0.00 C ATOM 1081 O LYS A 77 21.766 21.008 -2.883 1.00 0.00 O ATOM 1082 CB LYS A 77 24.495 21.223 -1.640 1.00 0.00 C ATOM 1083 CG LYS A 77 25.104 19.934 -2.235 1.00 0.00 C ATOM 1084 CD LYS A 77 26.368 20.183 -3.076 1.00 0.00 C ATOM 1085 CE LYS A 77 26.787 18.916 -3.831 1.00 0.00 C ATOM 1086 NZ LYS A 77 28.035 19.143 -4.581 1.00 0.00 N ATOM 0 H LYS A 77 24.240 19.786 0.435 1.00 0.00 H new ATOM 0 HA LYS A 77 22.764 22.061 -0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 77 24.346 21.935 -2.452 1.00 0.00 H new ATOM 0 HB3 LYS A 77 25.226 21.662 -0.961 1.00 0.00 H new ATOM 0 HG2 LYS A 77 25.347 19.248 -1.423 1.00 0.00 H new ATOM 0 HG3 LYS A 77 24.356 19.441 -2.856 1.00 0.00 H new ATOM 0 HD2 LYS A 77 26.183 20.989 -3.786 1.00 0.00 H new ATOM 0 HD3 LYS A 77 27.181 20.510 -2.428 1.00 0.00 H new ATOM 0 HE2 LYS A 77 26.925 18.096 -3.126 1.00 0.00 H new ATOM 0 HE3 LYS A 77 25.994 18.617 -4.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 27.953 18.720 -5.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 28.204 20.165 -4.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 28.830 18.705 -4.073 1.00 0.00 H new ATOM 1099 N MET A 78 21.128 19.602 -1.251 1.00 0.00 N ATOM 1100 CA MET A 78 19.908 19.116 -1.933 1.00 0.00 C ATOM 1101 C MET A 78 18.727 20.132 -1.812 1.00 0.00 C ATOM 1102 O MET A 78 18.055 20.215 -0.777 1.00 0.00 O ATOM 1103 CB MET A 78 19.598 17.713 -1.339 1.00 0.00 C ATOM 1104 CG MET A 78 18.344 17.043 -1.928 1.00 0.00 C ATOM 1105 SD MET A 78 18.535 15.217 -2.048 1.00 0.00 S ATOM 1106 CE MET A 78 17.026 14.820 -1.092 1.00 0.00 C ATOM 0 H MET A 78 21.288 19.156 -0.348 1.00 0.00 H new ATOM 0 HA MET A 78 20.061 19.027 -3.009 1.00 0.00 H new ATOM 0 HB2 MET A 78 20.456 17.062 -1.506 1.00 0.00 H new ATOM 0 HB3 MET A 78 19.474 17.807 -0.260 1.00 0.00 H new ATOM 0 HG2 MET A 78 17.481 17.278 -1.306 1.00 0.00 H new ATOM 0 HG3 MET A 78 18.144 17.453 -2.918 1.00 0.00 H new ATOM 0 HE1 MET A 78 16.915 13.738 -1.021 1.00 0.00 H new ATOM 0 HE2 MET A 78 17.108 15.243 -0.091 1.00 0.00 H new ATOM 0 HE3 MET A 78 16.156 15.242 -1.594 1.00 0.00 H new ATOM 1116 N ALA A 79 18.436 20.855 -2.909 1.00 0.00 N ATOM 1117 CA ALA A 79 17.243 21.740 -2.993 1.00 0.00 C ATOM 1118 C ALA A 79 15.913 20.969 -3.312 1.00 0.00 C ATOM 1119 O ALA A 79 15.318 21.096 -4.386 1.00 0.00 O ATOM 1120 CB ALA A 79 17.602 22.846 -4.007 1.00 0.00 C ATOM 0 H ALA A 79 19.007 20.849 -3.754 1.00 0.00 H new ATOM 0 HA ALA A 79 17.017 22.185 -2.024 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.760 23.531 -4.112 1.00 0.00 H new ATOM 0 HB2 ALA A 79 18.474 23.395 -3.653 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.825 22.395 -4.974 1.00 0.00 H new ATOM 1126 N PHE A 80 15.447 20.181 -2.329 1.00 0.00 N ATOM 1127 CA PHE A 80 14.153 19.451 -2.385 1.00 0.00 C ATOM 1128 C PHE A 80 13.308 19.819 -1.124 1.00 0.00 C ATOM 1129 O PHE A 80 13.813 19.830 0.003 1.00 0.00 O ATOM 1130 CB PHE A 80 14.454 17.927 -2.504 1.00 0.00 C ATOM 1131 CG PHE A 80 13.219 17.026 -2.691 1.00 0.00 C ATOM 1132 CD1 PHE A 80 12.497 17.058 -3.890 1.00 0.00 C ATOM 1133 CD2 PHE A 80 12.762 16.223 -1.639 1.00 0.00 C ATOM 1134 CE1 PHE A 80 11.319 16.328 -4.021 1.00 0.00 C ATOM 1135 CE2 PHE A 80 11.586 15.490 -1.774 1.00 0.00 C ATOM 1136 CZ PHE A 80 10.858 15.554 -2.960 1.00 0.00 C ATOM 0 H PHE A 80 15.958 20.026 -1.460 1.00 0.00 H new ATOM 0 HA PHE A 80 13.561 19.736 -3.255 1.00 0.00 H new ATOM 0 HB2 PHE A 80 15.128 17.771 -3.346 1.00 0.00 H new ATOM 0 HB3 PHE A 80 14.985 17.607 -1.607 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.856 17.652 -4.718 1.00 0.00 H new ATOM 0 HD2 PHE A 80 13.324 16.172 -0.718 1.00 0.00 H new ATOM 0 HE1 PHE A 80 10.763 16.362 -4.946 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.238 14.872 -0.959 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.935 15.002 -3.056 1.00 0.00 H new ATOM 1146 N ALA A 81 12.004 20.090 -1.308 1.00 0.00 N ATOM 1147 CA ALA A 81 11.091 20.416 -0.179 1.00 0.00 C ATOM 1148 C ALA A 81 10.714 19.212 0.747 1.00 0.00 C ATOM 1149 O ALA A 81 10.953 19.286 1.956 1.00 0.00 O ATOM 1150 CB ALA A 81 9.871 21.142 -0.781 1.00 0.00 C ATOM 0 H ALA A 81 11.552 20.092 -2.222 1.00 0.00 H new ATOM 0 HA ALA A 81 11.616 21.066 0.521 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.172 21.401 0.015 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.200 22.051 -1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.377 20.488 -1.499 1.00 0.00 H new ATOM 1156 N GLY A 82 10.127 18.129 0.205 1.00 0.00 N ATOM 1157 CA GLY A 82 9.650 16.990 1.029 1.00 0.00 C ATOM 1158 C GLY A 82 8.498 16.170 0.410 1.00 0.00 C ATOM 1159 O GLY A 82 7.633 16.695 -0.297 1.00 0.00 O ATOM 0 H GLY A 82 9.969 18.014 -0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.490 16.322 1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.324 17.373 1.996 1.00 0.00 H new ATOM 1163 N LEU A 83 8.453 14.877 0.753 1.00 0.00 N ATOM 1164 CA LEU A 83 7.303 13.984 0.445 1.00 0.00 C ATOM 1165 C LEU A 83 6.433 13.797 1.743 1.00 0.00 C ATOM 1166 O LEU A 83 6.785 12.935 2.559 1.00 0.00 O ATOM 1167 CB LEU A 83 7.829 12.620 -0.095 1.00 0.00 C ATOM 1168 CG LEU A 83 8.519 12.591 -1.482 1.00 0.00 C ATOM 1169 CD1 LEU A 83 9.095 11.193 -1.759 1.00 0.00 C ATOM 1170 CD2 LEU A 83 7.574 12.978 -2.633 1.00 0.00 C ATOM 0 H LEU A 83 9.209 14.409 1.253 1.00 0.00 H new ATOM 0 HA LEU A 83 6.675 14.428 -0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 83 8.535 12.225 0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.986 11.930 -0.129 1.00 0.00 H new ATOM 0 HG LEU A 83 9.315 13.334 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.577 11.185 -2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.827 10.942 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.290 10.459 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.116 12.939 -3.578 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.736 12.281 -2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.199 13.989 -2.472 1.00 0.00 H new ATOM 1182 N PRO A 84 5.304 14.531 1.997 1.00 0.00 N ATOM 1183 CA PRO A 84 4.502 14.371 3.250 1.00 0.00 C ATOM 1184 C PRO A 84 3.701 13.038 3.440 1.00 0.00 C ATOM 1185 O PRO A 84 3.587 12.556 4.572 1.00 0.00 O ATOM 1186 CB PRO A 84 3.618 15.635 3.234 1.00 0.00 C ATOM 1187 CG PRO A 84 3.480 16.014 1.758 1.00 0.00 C ATOM 1188 CD PRO A 84 4.833 15.646 1.148 1.00 0.00 C ATOM 0 HA PRO A 84 5.156 14.281 4.117 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.644 15.439 3.682 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.076 16.442 3.806 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.666 15.468 1.281 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.265 17.076 1.638 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.734 15.342 0.106 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.525 16.488 1.170 1.00 0.00 H new ATOM 1196 N LYS A 85 3.198 12.420 2.359 1.00 0.00 N ATOM 1197 CA LYS A 85 2.480 11.117 2.410 1.00 0.00 C ATOM 1198 C LYS A 85 3.454 9.902 2.575 1.00 0.00 C ATOM 1199 O LYS A 85 4.386 9.714 1.782 1.00 0.00 O ATOM 1200 CB LYS A 85 1.645 10.969 1.108 1.00 0.00 C ATOM 1201 CG LYS A 85 0.410 11.898 0.980 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.261 11.867 -0.410 1.00 0.00 C ATOM 1203 CE LYS A 85 -0.984 10.549 -0.739 1.00 0.00 C ATOM 1204 NZ LYS A 85 -1.556 10.604 -2.096 1.00 0.00 N ATOM 0 H LYS A 85 3.273 12.804 1.417 1.00 0.00 H new ATOM 0 HA LYS A 85 1.832 11.112 3.286 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.301 11.152 0.257 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.306 9.936 1.033 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.325 11.613 1.733 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.714 12.921 1.202 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.978 12.686 -0.472 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.498 12.050 -1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.286 9.715 -0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.775 10.369 -0.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.041 9.708 -2.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.237 11.388 -2.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.794 10.755 -2.788 1.00 0.00 H new ATOM 1217 N ILE A 86 3.200 9.040 3.580 1.00 0.00 N ATOM 1218 CA ILE A 86 3.939 7.752 3.771 1.00 0.00 C ATOM 1219 C ILE A 86 3.871 6.738 2.574 1.00 0.00 C ATOM 1220 O ILE A 86 4.904 6.157 2.234 1.00 0.00 O ATOM 1221 CB ILE A 86 3.584 7.133 5.173 1.00 0.00 C ATOM 1222 CG1 ILE A 86 4.462 5.912 5.568 1.00 0.00 C ATOM 1223 CG2 ILE A 86 2.095 6.717 5.330 1.00 0.00 C ATOM 1224 CD1 ILE A 86 5.962 6.188 5.771 1.00 0.00 C ATOM 0 H ILE A 86 2.482 9.206 4.285 1.00 0.00 H new ATOM 0 HA ILE A 86 5.000 8.001 3.769 1.00 0.00 H new ATOM 0 HB ILE A 86 3.795 7.963 5.848 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.064 5.489 6.490 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.356 5.150 4.796 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.937 6.300 6.325 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.457 7.591 5.197 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.845 5.968 4.579 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.469 5.262 6.043 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.389 6.577 4.847 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.093 6.921 6.567 1.00 0.00 H new ATOM 1236 N GLU A 87 2.708 6.556 1.914 1.00 0.00 N ATOM 1237 CA GLU A 87 2.600 5.770 0.649 1.00 0.00 C ATOM 1238 C GLU A 87 3.553 6.196 -0.517 1.00 0.00 C ATOM 1239 O GLU A 87 4.235 5.333 -1.067 1.00 0.00 O ATOM 1240 CB GLU A 87 1.110 5.629 0.231 1.00 0.00 C ATOM 1241 CG GLU A 87 0.369 6.917 -0.215 1.00 0.00 C ATOM 1242 CD GLU A 87 -1.098 6.692 -0.566 1.00 0.00 C ATOM 1243 OE1 GLU A 87 -1.272 6.333 -1.868 1.00 0.00 O ATOM 1244 OE2 GLU A 87 -2.018 6.828 0.233 1.00 0.00 O ATOM 0 H GLU A 87 1.820 6.943 2.233 1.00 0.00 H new ATOM 0 HA GLU A 87 2.989 4.779 0.883 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.056 4.909 -0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.564 5.200 1.071 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.433 7.657 0.583 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.880 7.338 -1.081 1.00 0.00 H new ATOM 1251 N ASP A 88 3.680 7.500 -0.837 1.00 0.00 N ATOM 1252 CA ASP A 88 4.729 8.017 -1.773 1.00 0.00 C ATOM 1253 C ASP A 88 6.207 7.680 -1.373 1.00 0.00 C ATOM 1254 O ASP A 88 6.971 7.223 -2.226 1.00 0.00 O ATOM 1255 CB ASP A 88 4.550 9.549 -1.967 1.00 0.00 C ATOM 1256 CG ASP A 88 3.275 9.964 -2.706 1.00 0.00 C ATOM 1257 OD1 ASP A 88 2.180 10.050 -2.159 1.00 0.00 O ATOM 1258 OD2 ASP A 88 3.499 10.216 -4.030 1.00 0.00 O ATOM 0 H ASP A 88 3.070 8.227 -0.464 1.00 0.00 H new ATOM 0 HA ASP A 88 4.571 7.488 -2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.556 10.027 -0.987 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.411 9.934 -2.514 1.00 0.00 H new ATOM 1263 N ARG A 89 6.588 7.865 -0.094 1.00 0.00 N ATOM 1264 CA ARG A 89 7.908 7.416 0.441 1.00 0.00 C ATOM 1265 C ARG A 89 8.131 5.865 0.400 1.00 0.00 C ATOM 1266 O ARG A 89 9.130 5.417 -0.166 1.00 0.00 O ATOM 1267 CB ARG A 89 8.137 7.991 1.869 1.00 0.00 C ATOM 1268 CG ARG A 89 8.024 9.532 2.013 1.00 0.00 C ATOM 1269 CD ARG A 89 8.580 10.128 3.320 1.00 0.00 C ATOM 1270 NE ARG A 89 7.917 9.627 4.563 1.00 0.00 N ATOM 1271 CZ ARG A 89 6.844 10.165 5.140 1.00 0.00 C ATOM 1272 NH1 ARG A 89 6.131 11.117 4.606 1.00 0.00 N ATOM 1273 NH2 ARG A 89 6.498 9.726 6.310 1.00 0.00 N ATOM 0 H ARG A 89 6.001 8.326 0.601 1.00 0.00 H new ATOM 0 HA ARG A 89 8.661 7.821 -0.235 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.416 7.530 2.544 1.00 0.00 H new ATOM 0 HB3 ARG A 89 9.128 7.687 2.206 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.545 9.995 1.175 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.973 9.809 1.928 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.646 9.909 3.379 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.479 11.213 3.282 1.00 0.00 H new ATOM 0 HE ARG A 89 8.321 8.802 5.007 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.385 11.493 3.693 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.319 11.486 5.102 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.043 8.990 6.760 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.681 10.116 6.780 1.00 0.00 H new ATOM 1287 N ALA A 90 7.204 5.051 0.946 1.00 0.00 N ATOM 1288 CA ALA A 90 7.232 3.568 0.817 1.00 0.00 C ATOM 1289 C ALA A 90 7.214 2.984 -0.635 1.00 0.00 C ATOM 1290 O ALA A 90 8.023 2.103 -0.934 1.00 0.00 O ATOM 1291 CB ALA A 90 6.058 3.040 1.663 1.00 0.00 C ATOM 0 H ALA A 90 6.413 5.397 1.489 1.00 0.00 H new ATOM 0 HA ALA A 90 8.203 3.225 1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.029 1.952 1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.191 3.345 2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.122 3.449 1.282 1.00 0.00 H new ATOM 1297 N ASN A 91 6.339 3.474 -1.538 1.00 0.00 N ATOM 1298 CA ASN A 91 6.375 3.130 -2.992 1.00 0.00 C ATOM 1299 C ASN A 91 7.731 3.457 -3.708 1.00 0.00 C ATOM 1300 O ASN A 91 8.310 2.582 -4.358 1.00 0.00 O ATOM 1301 CB ASN A 91 5.181 3.813 -3.724 1.00 0.00 C ATOM 1302 CG ASN A 91 3.758 3.368 -3.359 1.00 0.00 C ATOM 1303 OD1 ASN A 91 3.512 2.366 -2.698 1.00 0.00 O ATOM 1304 ND2 ASN A 91 2.760 4.101 -3.786 1.00 0.00 N ATOM 0 H ASN A 91 5.587 4.117 -1.290 1.00 0.00 H new ATOM 0 HA ASN A 91 6.283 2.045 -3.049 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.251 4.886 -3.546 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.314 3.658 -4.795 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.800 3.834 -3.567 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.942 4.939 -4.338 1.00 0.00 H new ATOM 1311 N LEU A 92 8.255 4.691 -3.554 1.00 0.00 N ATOM 1312 CA LEU A 92 9.642 5.057 -3.962 1.00 0.00 C ATOM 1313 C LEU A 92 10.793 4.186 -3.354 1.00 0.00 C ATOM 1314 O LEU A 92 11.653 3.728 -4.108 1.00 0.00 O ATOM 1315 CB LEU A 92 9.795 6.573 -3.659 1.00 0.00 C ATOM 1316 CG LEU A 92 11.139 7.242 -4.038 1.00 0.00 C ATOM 1317 CD1 LEU A 92 11.437 7.173 -5.542 1.00 0.00 C ATOM 1318 CD2 LEU A 92 11.134 8.708 -3.595 1.00 0.00 C ATOM 0 H LEU A 92 7.735 5.467 -3.144 1.00 0.00 H new ATOM 0 HA LEU A 92 9.762 4.841 -5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.996 7.103 -4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.634 6.721 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 92 11.922 6.686 -3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.391 7.658 -5.746 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.485 6.130 -5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.646 7.682 -6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.082 9.173 -3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.318 9.235 -4.090 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.998 8.761 -2.515 1.00 0.00 H new ATOM 1330 N ILE A 93 10.814 3.935 -2.031 1.00 0.00 N ATOM 1331 CA ILE A 93 11.808 3.016 -1.387 1.00 0.00 C ATOM 1332 C ILE A 93 11.673 1.522 -1.865 1.00 0.00 C ATOM 1333 O ILE A 93 12.707 0.916 -2.149 1.00 0.00 O ATOM 1334 CB ILE A 93 11.843 3.246 0.169 1.00 0.00 C ATOM 1335 CG1 ILE A 93 12.289 4.693 0.562 1.00 0.00 C ATOM 1336 CG2 ILE A 93 12.763 2.241 0.913 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.884 5.140 1.976 1.00 0.00 C ATOM 0 H ILE A 93 10.155 4.352 -1.373 1.00 0.00 H new ATOM 0 HA ILE A 93 12.806 3.277 -1.738 1.00 0.00 H new ATOM 0 HB ILE A 93 10.811 3.087 0.481 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.373 4.758 0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.868 5.394 -0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.744 2.453 1.982 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.409 1.225 0.738 1.00 0.00 H new ATOM 0 HG23 ILE A 93 13.783 2.339 0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.239 6.155 2.152 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.798 5.114 2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.327 4.468 2.711 1.00 0.00 H new ATOM 1349 N ALA A 94 10.463 0.943 -2.040 1.00 0.00 N ATOM 1350 CA ALA A 94 10.279 -0.315 -2.826 1.00 0.00 C ATOM 1351 C ALA A 94 10.820 -0.311 -4.297 1.00 0.00 C ATOM 1352 O ALA A 94 11.481 -1.273 -4.697 1.00 0.00 O ATOM 1353 CB ALA A 94 8.788 -0.693 -2.778 1.00 0.00 C ATOM 0 H ALA A 94 9.598 1.319 -1.652 1.00 0.00 H new ATOM 0 HA ALA A 94 10.907 -1.066 -2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.627 -1.610 -3.345 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.485 -0.849 -1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.195 0.112 -3.212 1.00 0.00 H new ATOM 1359 N TYR A 95 10.603 0.766 -5.083 1.00 0.00 N ATOM 1360 CA TYR A 95 11.324 0.982 -6.372 1.00 0.00 C ATOM 1361 C TYR A 95 12.887 1.069 -6.258 1.00 0.00 C ATOM 1362 O TYR A 95 13.569 0.369 -7.007 1.00 0.00 O ATOM 1363 CB TYR A 95 10.664 2.181 -7.111 1.00 0.00 C ATOM 1364 CG TYR A 95 11.211 2.481 -8.519 1.00 0.00 C ATOM 1365 CD1 TYR A 95 11.168 1.507 -9.525 1.00 0.00 C ATOM 1366 CD2 TYR A 95 11.804 3.719 -8.789 1.00 0.00 C ATOM 1367 CE1 TYR A 95 11.757 1.751 -10.764 1.00 0.00 C ATOM 1368 CE2 TYR A 95 12.362 3.971 -10.039 1.00 0.00 C ATOM 1369 CZ TYR A 95 12.354 2.982 -11.019 1.00 0.00 C ATOM 1370 OH TYR A 95 12.991 3.193 -12.213 1.00 0.00 O ATOM 0 H TYR A 95 9.936 1.503 -4.854 1.00 0.00 H new ATOM 0 HA TYR A 95 11.207 0.084 -6.979 1.00 0.00 H new ATOM 0 HB2 TYR A 95 9.594 1.991 -7.190 1.00 0.00 H new ATOM 0 HB3 TYR A 95 10.784 3.073 -6.497 1.00 0.00 H new ATOM 0 HD1 TYR A 95 10.676 0.563 -9.340 1.00 0.00 H new ATOM 0 HD2 TYR A 95 11.829 4.482 -8.025 1.00 0.00 H new ATOM 0 HE1 TYR A 95 11.750 0.985 -11.526 1.00 0.00 H new ATOM 0 HE2 TYR A 95 12.802 4.935 -10.249 1.00 0.00 H new ATOM 0 HH TYR A 95 13.868 2.756 -12.198 1.00 0.00 H new ATOM 1380 N LEU A 96 13.456 1.853 -5.327 1.00 0.00 N ATOM 1381 CA LEU A 96 14.922 1.836 -5.031 1.00 0.00 C ATOM 1382 C LEU A 96 15.508 0.496 -4.444 1.00 0.00 C ATOM 1383 O LEU A 96 16.677 0.202 -4.691 1.00 0.00 O ATOM 1384 CB LEU A 96 15.256 3.055 -4.127 1.00 0.00 C ATOM 1385 CG LEU A 96 14.958 4.479 -4.681 1.00 0.00 C ATOM 1386 CD1 LEU A 96 15.050 5.528 -3.560 1.00 0.00 C ATOM 1387 CD2 LEU A 96 15.897 4.859 -5.837 1.00 0.00 C ATOM 0 H LEU A 96 12.930 2.515 -4.756 1.00 0.00 H new ATOM 0 HA LEU A 96 15.424 1.905 -5.996 1.00 0.00 H new ATOM 0 HB2 LEU A 96 14.707 2.938 -3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 96 16.317 3.008 -3.881 1.00 0.00 H new ATOM 0 HG LEU A 96 13.941 4.462 -5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 96 14.838 6.516 -3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.324 5.294 -2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.053 5.519 -3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.652 5.860 -6.191 1.00 0.00 H new ATOM 0 HD22 LEU A 96 16.930 4.840 -5.488 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.777 4.146 -6.653 1.00 0.00 H new ATOM 1399 N GLU A 97 14.724 -0.331 -3.721 1.00 0.00 N ATOM 1400 CA GLU A 97 15.055 -1.768 -3.459 1.00 0.00 C ATOM 1401 C GLU A 97 15.054 -2.709 -4.718 1.00 0.00 C ATOM 1402 O GLU A 97 15.878 -3.624 -4.783 1.00 0.00 O ATOM 1403 CB GLU A 97 14.108 -2.326 -2.359 1.00 0.00 C ATOM 1404 CG GLU A 97 14.346 -1.762 -0.936 1.00 0.00 C ATOM 1405 CD GLU A 97 13.362 -2.270 0.113 1.00 0.00 C ATOM 1406 OE1 GLU A 97 12.164 -1.623 0.059 1.00 0.00 O ATOM 1407 OE2 GLU A 97 13.621 -3.152 0.925 1.00 0.00 O ATOM 0 H GLU A 97 13.844 -0.033 -3.299 1.00 0.00 H new ATOM 0 HA GLU A 97 16.092 -1.770 -3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 97 13.078 -2.116 -2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 97 14.215 -3.410 -2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.358 -2.017 -0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.288 -0.674 -0.975 1.00 0.00 H new ATOM 1414 N GLY A 98 14.176 -2.492 -5.718 1.00 0.00 N ATOM 1415 CA GLY A 98 14.374 -3.042 -7.091 1.00 0.00 C ATOM 1416 C GLY A 98 15.568 -2.480 -7.910 1.00 0.00 C ATOM 1417 O GLY A 98 16.330 -3.253 -8.492 1.00 0.00 O ATOM 0 H GLY A 98 13.323 -1.943 -5.610 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.498 -4.122 -7.009 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.461 -2.868 -7.660 1.00 0.00 H new ATOM 1421 N GLN A 99 15.743 -1.148 -7.954 1.00 0.00 N ATOM 1422 CA GLN A 99 16.932 -0.489 -8.573 1.00 0.00 C ATOM 1423 C GLN A 99 18.153 -0.451 -7.581 1.00 0.00 C ATOM 1424 O GLN A 99 18.532 0.607 -7.063 1.00 0.00 O ATOM 1425 CB GLN A 99 16.523 0.939 -9.061 1.00 0.00 C ATOM 1426 CG GLN A 99 15.235 1.139 -9.912 1.00 0.00 C ATOM 1427 CD GLN A 99 15.200 0.659 -11.366 1.00 0.00 C ATOM 1428 OE1 GLN A 99 14.945 1.428 -12.290 1.00 0.00 O ATOM 1429 NE2 GLN A 99 15.346 -0.618 -11.619 1.00 0.00 N ATOM 0 H GLN A 99 15.070 -0.488 -7.564 1.00 0.00 H new ATOM 0 HA GLN A 99 17.263 -1.071 -9.433 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.425 1.567 -8.175 1.00 0.00 H new ATOM 0 HB3 GLN A 99 17.357 1.333 -9.641 1.00 0.00 H new ATOM 0 HG2 GLN A 99 14.418 0.644 -9.387 1.00 0.00 H new ATOM 0 HG3 GLN A 99 15.011 2.206 -9.916 1.00 0.00 H new ATOM 0 HE21 GLN A 99 15.558 -1.267 -10.861 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.248 -0.963 -12.574 1.00 0.00 H new ATOM 1438 N GLN A 100 18.755 -1.622 -7.302 1.00 0.00 N ATOM 1439 CA GLN A 100 19.678 -1.805 -6.154 1.00 0.00 C ATOM 1440 C GLN A 100 20.975 -2.531 -6.589 1.00 0.00 C ATOM 1441 O GLN A 100 20.923 -3.709 -7.016 1.00 0.00 O ATOM 1442 CB GLN A 100 18.898 -2.531 -5.030 1.00 0.00 C ATOM 1443 CG GLN A 100 19.607 -2.534 -3.655 1.00 0.00 C ATOM 1444 CD GLN A 100 18.821 -3.229 -2.541 1.00 0.00 C ATOM 1445 OE1 GLN A 100 18.108 -2.614 -1.754 1.00 0.00 O ATOM 1446 NE2 GLN A 100 18.918 -4.533 -2.435 1.00 0.00 N ATOM 1447 OXT GLN A 100 22.063 -1.920 -6.476 1.00 0.00 O ATOM 0 H GLN A 100 18.620 -2.466 -7.859 1.00 0.00 H new ATOM 0 HA GLN A 100 20.018 -0.845 -5.766 1.00 0.00 H new ATOM 0 HB2 GLN A 100 17.922 -2.059 -4.920 1.00 0.00 H new ATOM 0 HB3 GLN A 100 18.721 -3.562 -5.336 1.00 0.00 H new ATOM 0 HG2 GLN A 100 20.575 -3.024 -3.760 1.00 0.00 H new ATOM 0 HG3 GLN A 100 19.801 -1.504 -3.358 1.00 0.00 H new ATOM 0 HE21 GLN A 100 19.508 -5.055 -3.083 1.00 0.00 H new ATOM 0 HE22 GLN A 100 18.404 -5.025 -1.704 1.00 0.00 H new