USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 747 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 0.167 (180deg=0.0732) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0354 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -132:sc= -0.085 (180deg=-0.627) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -170:sc= -0.0425 (180deg=-0.244) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.787 K(o=-0.79,f=-1.8) USER MOD Single : A 34 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0106) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.67 K(o=-0.67,f=-1.2) USER MOD Single : A 39 LYS NZ :NH3+ 164:sc=-0.00803 (180deg=-0.14) USER MOD Single : A 47 THR OG1 : rot -149:sc= -1.31 USER MOD Single : A 48 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.39) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -157:sc= -0.0863 (180deg=-0.52) USER MOD Single : A 61 TYR OH : rot -124:sc= 1.09 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.15 K(o=-1.1,f=-2.1!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -114:sc= -0.0133 (180deg=-0.233) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -112:sc= 1.2 (180deg=-0.183) USER MOD Single : A 72 ASN : amide:sc= -0.052 K(o=-0.052,f=-1.9!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 86 ASN : amide:sc= -1.93 K(o=-1.9,f=-3.3) USER MOD Single : A 87 ASN : amide:sc= -1.96 K(o=-2,f=-0.17) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -50:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 52.33 C ATOM 3 C MET A 1 3.399 -0.771 -1.077 1.00 73.41 C ATOM 4 O MET A 1 3.697 -1.284 0.002 1.00 23.30 O ATOM 5 CB MET A 1 2.386 1.434 -1.686 1.00 62.44 C ATOM 6 CG MET A 1 1.316 2.020 -2.592 1.00 51.25 C ATOM 7 SD MET A 1 -0.115 2.624 -1.676 1.00 42.55 S ATOM 8 CE MET A 1 0.466 4.241 -1.168 1.00 65.42 C ATOM 0 H1 MET A 1 0.677 0.810 0.006 1.00 0.00 H new ATOM 0 H2 MET A 1 0.785 -0.883 0.073 1.00 0.00 H new ATOM 0 H3 MET A 1 1.980 0.074 0.808 1.00 0.00 H new ATOM 0 HA MET A 1 1.495 -0.496 -2.007 1.00 52.33 H new ATOM 0 HB2 MET A 1 2.488 2.065 -0.803 1.00 62.44 H new ATOM 0 HB3 MET A 1 3.343 1.456 -2.207 1.00 62.44 H new ATOM 0 HG2 MET A 1 1.744 2.838 -3.171 1.00 51.25 H new ATOM 0 HG3 MET A 1 0.993 1.261 -3.304 1.00 51.25 H new ATOM 0 HE1 MET A 1 -0.310 4.741 -0.589 1.00 65.42 H new ATOM 0 HE2 MET A 1 1.361 4.130 -0.555 1.00 65.42 H new ATOM 0 HE3 MET A 1 0.702 4.837 -2.050 1.00 65.42 H new ATOM 18 N THR A 2 4.175 -0.850 -2.154 1.00 32.12 N ATOM 19 CA THR A 2 5.448 -1.559 -2.128 1.00 74.43 C ATOM 20 C THR A 2 6.583 -0.636 -1.704 1.00 4.43 C ATOM 21 O THR A 2 7.616 -1.091 -1.212 1.00 31.32 O ATOM 22 CB THR A 2 5.781 -2.165 -3.505 1.00 31.02 C ATOM 23 OG1 THR A 2 5.415 -1.250 -4.544 1.00 64.30 O ATOM 24 CG2 THR A 2 5.053 -3.486 -3.706 1.00 1.35 C ATOM 0 H THR A 2 3.944 -0.431 -3.055 1.00 32.12 H new ATOM 0 HA THR A 2 5.347 -2.364 -1.400 1.00 74.43 H new ATOM 0 HB THR A 2 6.854 -2.350 -3.546 1.00 31.02 H new ATOM 0 HG1 THR A 2 5.631 -1.642 -5.416 1.00 64.30 H new ATOM 0 HG21 THR A 2 5.304 -3.894 -4.685 1.00 1.35 H new ATOM 0 HG22 THR A 2 5.356 -4.190 -2.931 1.00 1.35 H new ATOM 0 HG23 THR A 2 3.977 -3.321 -3.646 1.00 1.35 H new ATOM 32 N ARG A 3 6.386 0.664 -1.896 1.00 40.54 N ATOM 33 CA ARG A 3 7.395 1.652 -1.534 1.00 12.55 C ATOM 34 C ARG A 3 7.848 1.462 -0.089 1.00 33.31 C ATOM 35 O ARG A 3 7.048 1.122 0.783 1.00 31.21 O ATOM 36 CB ARG A 3 6.845 3.067 -1.724 1.00 44.44 C ATOM 37 CG ARG A 3 6.345 3.342 -3.133 1.00 64.32 C ATOM 38 CD ARG A 3 7.445 3.915 -4.013 1.00 64.41 C ATOM 39 NE ARG A 3 7.747 5.303 -3.677 1.00 44.43 N ATOM 40 CZ ARG A 3 8.659 6.031 -4.312 1.00 42.41 C ATOM 41 NH1 ARG A 3 9.354 5.505 -5.311 1.00 43.41 N ATOM 42 NH2 ARG A 3 8.877 7.289 -3.948 1.00 70.23 N ATOM 0 H ARG A 3 5.536 1.058 -2.300 1.00 40.54 H new ATOM 0 HA ARG A 3 8.255 1.512 -2.189 1.00 12.55 H new ATOM 0 HB2 ARG A 3 6.029 3.228 -1.020 1.00 44.44 H new ATOM 0 HB3 ARG A 3 7.625 3.787 -1.477 1.00 44.44 H new ATOM 0 HG2 ARG A 3 5.969 2.419 -3.574 1.00 64.32 H new ATOM 0 HG3 ARG A 3 5.509 4.040 -3.094 1.00 64.32 H new ATOM 0 HD2 ARG A 3 8.346 3.312 -3.906 1.00 64.41 H new ATOM 0 HD3 ARG A 3 7.142 3.853 -5.058 1.00 64.41 H new ATOM 0 HE ARG A 3 7.230 5.738 -2.913 1.00 44.43 H new ATOM 0 HH11 ARG A 3 9.189 4.539 -5.594 1.00 43.41 H new ATOM 0 HH12 ARG A 3 10.054 6.066 -5.797 1.00 43.41 H new ATOM 0 HH21 ARG A 3 8.344 7.697 -3.180 1.00 70.23 H new ATOM 0 HH22 ARG A 3 9.577 7.847 -4.436 1.00 70.23 H new ATOM 56 N ASP A 4 9.135 1.682 0.156 1.00 15.21 N ATOM 57 CA ASP A 4 9.694 1.535 1.495 1.00 42.23 C ATOM 58 C ASP A 4 9.269 2.693 2.392 1.00 54.43 C ATOM 59 O ASP A 4 8.680 3.669 1.926 1.00 50.31 O ATOM 60 CB ASP A 4 11.220 1.460 1.427 1.00 3.12 C ATOM 61 CG ASP A 4 11.846 2.771 0.992 1.00 73.32 C ATOM 62 OD1 ASP A 4 11.418 3.317 -0.047 1.00 34.22 O ATOM 63 OD2 ASP A 4 12.763 3.251 1.690 1.00 33.11 O ATOM 0 H ASP A 4 9.811 1.963 -0.555 1.00 15.21 H new ATOM 0 HA ASP A 4 9.310 0.609 1.923 1.00 42.23 H new ATOM 0 HB2 ASP A 4 11.611 1.181 2.406 1.00 3.12 H new ATOM 0 HB3 ASP A 4 11.511 0.673 0.731 1.00 3.12 H new ATOM 68 N PHE A 5 9.569 2.578 3.681 1.00 45.00 N ATOM 69 CA PHE A 5 9.216 3.614 4.644 1.00 4.41 C ATOM 70 C PHE A 5 10.468 4.233 5.261 1.00 54.14 C ATOM 71 O PHE A 5 11.590 3.846 4.936 1.00 44.32 O ATOM 72 CB PHE A 5 8.325 3.035 5.745 1.00 51.34 C ATOM 73 CG PHE A 5 6.856 3.180 5.465 1.00 43.14 C ATOM 74 CD1 PHE A 5 6.191 4.356 5.774 1.00 23.43 C ATOM 75 CD2 PHE A 5 6.141 2.141 4.891 1.00 1.14 C ATOM 76 CE1 PHE A 5 4.840 4.491 5.518 1.00 31.04 C ATOM 77 CE2 PHE A 5 4.789 2.271 4.633 1.00 65.12 C ATOM 78 CZ PHE A 5 4.138 3.448 4.946 1.00 64.02 C ATOM 0 H PHE A 5 10.056 1.777 4.083 1.00 45.00 H new ATOM 0 HA PHE A 5 8.668 4.394 4.115 1.00 4.41 H new ATOM 0 HB2 PHE A 5 8.560 1.978 5.873 1.00 51.34 H new ATOM 0 HB3 PHE A 5 8.558 3.530 6.688 1.00 51.34 H new ATOM 0 HD1 PHE A 5 6.735 5.176 6.220 1.00 23.43 H new ATOM 0 HD2 PHE A 5 6.646 1.219 4.642 1.00 1.14 H new ATOM 0 HE1 PHE A 5 4.333 5.412 5.765 1.00 31.04 H new ATOM 0 HE2 PHE A 5 4.243 1.453 4.187 1.00 65.12 H new ATOM 0 HZ PHE A 5 3.082 3.553 4.744 1.00 64.02 H new ATOM 88 N LYS A 6 10.266 5.197 6.152 1.00 13.41 N ATOM 89 CA LYS A 6 11.375 5.871 6.816 1.00 25.10 C ATOM 90 C LYS A 6 11.477 5.442 8.276 1.00 24.51 C ATOM 91 O LYS A 6 10.526 4.927 8.865 1.00 41.51 O ATOM 92 CB LYS A 6 11.202 7.389 6.731 1.00 41.03 C ATOM 93 CG LYS A 6 11.818 8.003 5.485 1.00 22.53 C ATOM 94 CD LYS A 6 10.854 7.968 4.311 1.00 21.13 C ATOM 95 CE LYS A 6 9.975 9.208 4.276 1.00 54.34 C ATOM 96 NZ LYS A 6 10.666 10.360 3.633 1.00 1.34 N ATOM 0 H LYS A 6 9.343 5.530 6.431 1.00 13.41 H new ATOM 0 HA LYS A 6 12.296 5.587 6.307 1.00 25.10 H new ATOM 0 HB2 LYS A 6 10.139 7.627 6.755 1.00 41.03 H new ATOM 0 HB3 LYS A 6 11.651 7.847 7.612 1.00 41.03 H new ATOM 0 HG2 LYS A 6 12.105 9.034 5.690 1.00 22.53 H new ATOM 0 HG3 LYS A 6 12.729 7.464 5.225 1.00 22.53 H new ATOM 0 HD2 LYS A 6 11.415 7.892 3.380 1.00 21.13 H new ATOM 0 HD3 LYS A 6 10.228 7.078 4.379 1.00 21.13 H new ATOM 0 HE2 LYS A 6 9.056 8.987 3.733 1.00 54.34 H new ATOM 0 HE3 LYS A 6 9.688 9.478 5.292 1.00 54.34 H new ATOM 0 HZ1 LYS A 6 10.034 11.186 3.629 1.00 1.34 H new ATOM 0 HZ2 LYS A 6 11.530 10.588 4.166 1.00 1.34 H new ATOM 0 HZ3 LYS A 6 10.918 10.112 2.655 1.00 1.34 H new ATOM 110 N PRO A 7 12.657 5.658 8.876 1.00 23.54 N ATOM 111 CA PRO A 7 12.910 5.302 10.276 1.00 64.12 C ATOM 112 C PRO A 7 12.142 6.191 11.248 1.00 62.21 C ATOM 113 O PRO A 7 12.232 7.416 11.187 1.00 2.24 O ATOM 114 CB PRO A 7 14.418 5.519 10.430 1.00 72.21 C ATOM 115 CG PRO A 7 14.764 6.527 9.389 1.00 72.42 C ATOM 116 CD PRO A 7 13.835 6.266 8.235 1.00 0.13 C ATOM 0 HA PRO A 7 12.586 4.286 10.503 1.00 64.12 H new ATOM 0 HB2 PRO A 7 14.666 5.880 11.428 1.00 72.21 H new ATOM 0 HB3 PRO A 7 14.969 4.590 10.281 1.00 72.21 H new ATOM 0 HG2 PRO A 7 14.638 7.540 9.770 1.00 72.42 H new ATOM 0 HG3 PRO A 7 15.805 6.429 9.082 1.00 72.42 H new ATOM 0 HD2 PRO A 7 13.577 7.186 7.711 1.00 0.13 H new ATOM 0 HD3 PRO A 7 14.284 5.596 7.501 1.00 0.13 H new ATOM 124 N GLY A 8 11.386 5.564 12.145 1.00 42.43 N ATOM 125 CA GLY A 8 10.614 6.315 13.117 1.00 35.23 C ATOM 126 C GLY A 8 9.316 6.846 12.542 1.00 51.15 C ATOM 127 O GLY A 8 8.797 7.865 12.999 1.00 71.51 O ATOM 0 H GLY A 8 11.295 4.551 12.215 1.00 42.43 H new ATOM 0 HA2 GLY A 8 10.394 5.677 13.973 1.00 35.23 H new ATOM 0 HA3 GLY A 8 11.212 7.148 13.486 1.00 35.23 H new ATOM 131 N ASP A 9 8.791 6.157 11.535 1.00 63.44 N ATOM 132 CA ASP A 9 7.546 6.565 10.895 1.00 42.33 C ATOM 133 C ASP A 9 6.346 5.916 11.576 1.00 21.35 C ATOM 134 O ASP A 9 6.411 4.763 12.006 1.00 61.03 O ATOM 135 CB ASP A 9 7.566 6.197 9.410 1.00 1.32 C ATOM 136 CG ASP A 9 7.930 7.374 8.527 1.00 41.32 C ATOM 137 OD1 ASP A 9 8.492 8.359 9.051 1.00 25.32 O ATOM 138 OD2 ASP A 9 7.653 7.311 7.311 1.00 65.11 O ATOM 0 H ASP A 9 9.209 5.313 11.144 1.00 63.44 H new ATOM 0 HA ASP A 9 7.455 7.647 10.992 1.00 42.33 H new ATOM 0 HB2 ASP A 9 8.281 5.390 9.248 1.00 1.32 H new ATOM 0 HB3 ASP A 9 6.586 5.818 9.119 1.00 1.32 H new ATOM 143 N LEU A 10 5.252 6.663 11.674 1.00 72.41 N ATOM 144 CA LEU A 10 4.036 6.160 12.305 1.00 42.12 C ATOM 145 C LEU A 10 3.204 5.351 11.315 1.00 14.23 C ATOM 146 O LEU A 10 2.661 5.897 10.354 1.00 14.13 O ATOM 147 CB LEU A 10 3.207 7.321 12.857 1.00 43.11 C ATOM 148 CG LEU A 10 3.902 8.210 13.889 1.00 14.22 C ATOM 149 CD1 LEU A 10 4.694 7.365 14.874 1.00 2.34 C ATOM 150 CD2 LEU A 10 4.808 9.220 13.200 1.00 13.00 C ATOM 0 H LEU A 10 5.182 7.619 11.325 1.00 72.41 H new ATOM 0 HA LEU A 10 4.326 5.506 13.127 1.00 42.12 H new ATOM 0 HB2 LEU A 10 2.892 7.946 12.021 1.00 43.11 H new ATOM 0 HB3 LEU A 10 2.303 6.913 13.308 1.00 43.11 H new ATOM 0 HG LEU A 10 3.138 8.756 14.443 1.00 14.22 H new ATOM 0 HD11 LEU A 10 5.182 8.015 15.601 1.00 2.34 H new ATOM 0 HD12 LEU A 10 4.020 6.683 15.392 1.00 2.34 H new ATOM 0 HD13 LEU A 10 5.449 6.791 14.336 1.00 2.34 H new ATOM 0 HD21 LEU A 10 5.294 9.844 13.950 1.00 13.00 H new ATOM 0 HD22 LEU A 10 5.566 8.693 12.620 1.00 13.00 H new ATOM 0 HD23 LEU A 10 4.214 9.848 12.536 1.00 13.00 H new ATOM 162 N ILE A 11 3.106 4.049 11.558 1.00 20.43 N ATOM 163 CA ILE A 11 2.337 3.166 10.690 1.00 34.45 C ATOM 164 C ILE A 11 1.751 1.997 11.476 1.00 54.14 C ATOM 165 O ILE A 11 2.382 1.473 12.393 1.00 62.50 O ATOM 166 CB ILE A 11 3.200 2.615 9.540 1.00 52.01 C ATOM 167 CG1 ILE A 11 4.410 1.862 10.096 1.00 33.33 C ATOM 168 CG2 ILE A 11 3.647 3.746 8.626 1.00 65.33 C ATOM 169 CD1 ILE A 11 4.143 0.395 10.352 1.00 30.11 C ATOM 0 H ILE A 11 3.549 3.582 12.349 1.00 20.43 H new ATOM 0 HA ILE A 11 1.527 3.763 10.271 1.00 34.45 H new ATOM 0 HB ILE A 11 2.599 1.917 8.956 1.00 52.01 H new ATOM 0 HG12 ILE A 11 5.239 1.955 9.395 1.00 33.33 H new ATOM 0 HG13 ILE A 11 4.725 2.334 11.027 1.00 33.33 H new ATOM 0 HG21 ILE A 11 4.256 3.341 7.818 1.00 65.33 H new ATOM 0 HG22 ILE A 11 2.772 4.243 8.207 1.00 65.33 H new ATOM 0 HG23 ILE A 11 4.234 4.465 9.197 1.00 65.33 H new ATOM 0 HD11 ILE A 11 5.044 -0.076 10.745 1.00 30.11 H new ATOM 0 HD12 ILE A 11 3.335 0.293 11.076 1.00 30.11 H new ATOM 0 HD13 ILE A 11 3.857 -0.091 9.419 1.00 30.11 H new ATOM 181 N PHE A 12 0.539 1.593 11.108 1.00 63.41 N ATOM 182 CA PHE A 12 -0.133 0.485 11.777 1.00 24.21 C ATOM 183 C PHE A 12 0.354 -0.855 11.233 1.00 62.01 C ATOM 184 O PHE A 12 0.089 -1.203 10.083 1.00 74.40 O ATOM 185 CB PHE A 12 -1.648 0.599 11.602 1.00 73.04 C ATOM 186 CG PHE A 12 -2.324 1.361 12.705 1.00 1.25 C ATOM 187 CD1 PHE A 12 -1.918 2.647 13.027 1.00 73.44 C ATOM 188 CD2 PHE A 12 -3.365 0.793 13.422 1.00 62.44 C ATOM 189 CE1 PHE A 12 -2.538 3.350 14.042 1.00 23.35 C ATOM 190 CE2 PHE A 12 -3.988 1.491 14.438 1.00 14.24 C ATOM 191 CZ PHE A 12 -3.575 2.772 14.748 1.00 22.14 C ATOM 0 H PHE A 12 0.003 2.016 10.351 1.00 63.41 H new ATOM 0 HA PHE A 12 0.108 0.535 12.839 1.00 24.21 H new ATOM 0 HB2 PHE A 12 -1.860 1.088 10.651 1.00 73.04 H new ATOM 0 HB3 PHE A 12 -2.076 -0.402 11.548 1.00 73.04 H new ATOM 0 HD1 PHE A 12 -1.108 3.104 12.478 1.00 73.44 H new ATOM 0 HD2 PHE A 12 -3.693 -0.208 13.183 1.00 62.44 H new ATOM 0 HE1 PHE A 12 -2.212 4.351 14.283 1.00 23.35 H new ATOM 0 HE2 PHE A 12 -4.797 1.036 14.989 1.00 14.24 H new ATOM 0 HZ PHE A 12 -4.062 3.321 15.541 1.00 22.14 H new ATOM 201 N ALA A 13 1.069 -1.602 12.068 1.00 10.44 N ATOM 202 CA ALA A 13 1.592 -2.903 11.673 1.00 60.43 C ATOM 203 C ALA A 13 0.513 -3.978 11.759 1.00 4.24 C ATOM 204 O ALA A 13 -0.199 -4.078 12.758 1.00 32.04 O ATOM 205 CB ALA A 13 2.785 -3.279 12.540 1.00 55.30 C ATOM 0 H ALA A 13 1.299 -1.328 13.023 1.00 10.44 H new ATOM 0 HA ALA A 13 1.919 -2.835 10.635 1.00 60.43 H new ATOM 0 HB1 ALA A 13 3.165 -4.253 12.233 1.00 55.30 H new ATOM 0 HB2 ALA A 13 3.569 -2.531 12.424 1.00 55.30 H new ATOM 0 HB3 ALA A 13 2.476 -3.322 13.585 1.00 55.30 H new ATOM 211 N LYS A 14 0.398 -4.780 10.706 1.00 12.33 N ATOM 212 CA LYS A 14 -0.594 -5.848 10.663 1.00 43.14 C ATOM 213 C LYS A 14 0.080 -7.216 10.689 1.00 75.45 C ATOM 214 O LYS A 14 0.657 -7.653 9.693 1.00 20.15 O ATOM 215 CB LYS A 14 -1.459 -5.717 9.407 1.00 33.34 C ATOM 216 CG LYS A 14 -2.520 -6.798 9.285 1.00 44.14 C ATOM 217 CD LYS A 14 -3.738 -6.483 10.136 1.00 52.31 C ATOM 218 CE LYS A 14 -4.910 -7.387 9.788 1.00 73.42 C ATOM 219 NZ LYS A 14 -5.320 -7.242 8.363 1.00 4.34 N ATOM 0 H LYS A 14 0.979 -4.711 9.871 1.00 12.33 H new ATOM 0 HA LYS A 14 -1.229 -5.758 11.545 1.00 43.14 H new ATOM 0 HB2 LYS A 14 -1.945 -4.741 9.410 1.00 33.34 H new ATOM 0 HB3 LYS A 14 -0.816 -5.750 8.528 1.00 33.34 H new ATOM 0 HG2 LYS A 14 -2.820 -6.898 8.242 1.00 44.14 H new ATOM 0 HG3 LYS A 14 -2.100 -7.757 9.590 1.00 44.14 H new ATOM 0 HD2 LYS A 14 -3.487 -6.601 11.190 1.00 52.31 H new ATOM 0 HD3 LYS A 14 -4.025 -5.441 9.991 1.00 52.31 H new ATOM 0 HE2 LYS A 14 -4.639 -8.424 9.984 1.00 73.42 H new ATOM 0 HE3 LYS A 14 -5.755 -7.151 10.435 1.00 73.42 H new ATOM 0 HZ1 LYS A 14 -6.352 -7.125 8.309 1.00 4.34 H new ATOM 0 HZ2 LYS A 14 -4.855 -6.408 7.951 1.00 4.34 H new ATOM 0 HZ3 LYS A 14 -5.040 -8.092 7.833 1.00 4.34 H new ATOM 233 N MET A 15 0.000 -7.889 11.832 1.00 14.53 N ATOM 234 CA MET A 15 0.599 -9.209 11.986 1.00 43.03 C ATOM 235 C MET A 15 -0.327 -10.293 11.443 1.00 45.12 C ATOM 236 O MET A 15 -1.542 -10.239 11.634 1.00 64.11 O ATOM 237 CB MET A 15 0.915 -9.481 13.458 1.00 74.53 C ATOM 238 CG MET A 15 2.347 -9.151 13.844 1.00 63.24 C ATOM 239 SD MET A 15 3.059 -10.362 14.975 1.00 53.32 S ATOM 240 CE MET A 15 3.557 -11.645 13.828 1.00 13.43 C ATOM 0 H MET A 15 -0.474 -7.541 12.666 1.00 14.53 H new ATOM 0 HA MET A 15 1.527 -9.229 11.414 1.00 43.03 H new ATOM 0 HB2 MET A 15 0.236 -8.898 14.080 1.00 74.53 H new ATOM 0 HB3 MET A 15 0.722 -10.532 13.674 1.00 74.53 H new ATOM 0 HG2 MET A 15 2.959 -9.097 12.943 1.00 63.24 H new ATOM 0 HG3 MET A 15 2.376 -8.165 14.308 1.00 63.24 H new ATOM 0 HE1 MET A 15 4.016 -12.466 14.378 1.00 13.43 H new ATOM 0 HE2 MET A 15 2.683 -12.012 13.291 1.00 13.43 H new ATOM 0 HE3 MET A 15 4.276 -11.238 13.117 1.00 13.43 H new ATOM 250 N LYS A 16 0.255 -11.276 10.765 1.00 62.43 N ATOM 251 CA LYS A 16 -0.517 -12.374 10.195 1.00 62.15 C ATOM 252 C LYS A 16 -1.406 -13.021 11.252 1.00 65.11 C ATOM 253 O LYS A 16 -0.917 -13.679 12.169 1.00 21.14 O ATOM 254 CB LYS A 16 0.419 -13.422 9.589 1.00 63.51 C ATOM 255 CG LYS A 16 1.067 -12.981 8.288 1.00 10.40 C ATOM 256 CD LYS A 16 2.013 -14.040 7.748 1.00 2.13 C ATOM 257 CE LYS A 16 2.783 -13.535 6.537 1.00 35.01 C ATOM 258 NZ LYS A 16 1.876 -12.968 5.501 1.00 13.31 N ATOM 0 H LYS A 16 1.259 -11.335 10.597 1.00 62.43 H new ATOM 0 HA LYS A 16 -1.154 -11.967 9.410 1.00 62.15 H new ATOM 0 HB2 LYS A 16 1.200 -13.660 10.311 1.00 63.51 H new ATOM 0 HB3 LYS A 16 -0.143 -14.339 9.412 1.00 63.51 H new ATOM 0 HG2 LYS A 16 0.294 -12.771 7.549 1.00 10.40 H new ATOM 0 HG3 LYS A 16 1.614 -12.052 8.450 1.00 10.40 H new ATOM 0 HD2 LYS A 16 2.714 -14.335 8.529 1.00 2.13 H new ATOM 0 HD3 LYS A 16 1.446 -14.930 7.475 1.00 2.13 H new ATOM 0 HE2 LYS A 16 3.496 -12.773 6.852 1.00 35.01 H new ATOM 0 HE3 LYS A 16 3.360 -14.353 6.106 1.00 35.01 H new ATOM 0 HZ1 LYS A 16 2.413 -12.791 4.628 1.00 13.31 H new ATOM 0 HZ2 LYS A 16 1.109 -13.642 5.305 1.00 13.31 H new ATOM 0 HZ3 LYS A 16 1.472 -12.074 5.845 1.00 13.31 H new ATOM 272 N GLY A 17 -2.714 -12.831 11.116 1.00 55.51 N ATOM 273 CA GLY A 17 -3.650 -13.403 12.066 1.00 72.21 C ATOM 274 C GLY A 17 -3.936 -12.475 13.230 1.00 41.13 C ATOM 275 O GLY A 17 -4.346 -12.920 14.302 1.00 74.23 O ATOM 0 H GLY A 17 -3.143 -12.291 10.364 1.00 55.51 H new ATOM 0 HA2 GLY A 17 -4.584 -13.638 11.555 1.00 72.21 H new ATOM 0 HA3 GLY A 17 -3.249 -14.343 12.445 1.00 72.21 H new ATOM 279 N TYR A 18 -3.717 -11.182 13.020 1.00 12.41 N ATOM 280 CA TYR A 18 -3.950 -10.188 14.062 1.00 61.41 C ATOM 281 C TYR A 18 -4.395 -8.860 13.458 1.00 3.33 C ATOM 282 O TYR A 18 -4.077 -8.530 12.316 1.00 45.14 O ATOM 283 CB TYR A 18 -2.682 -9.985 14.894 1.00 55.43 C ATOM 284 CG TYR A 18 -2.062 -11.275 15.378 1.00 31.52 C ATOM 285 CD1 TYR A 18 -1.190 -11.995 14.571 1.00 24.52 C ATOM 286 CD2 TYR A 18 -2.349 -11.776 16.642 1.00 1.22 C ATOM 287 CE1 TYR A 18 -0.621 -13.176 15.009 1.00 2.23 C ATOM 288 CE2 TYR A 18 -1.784 -12.954 17.089 1.00 23.31 C ATOM 289 CZ TYR A 18 -0.921 -13.651 16.269 1.00 4.21 C ATOM 290 OH TYR A 18 -0.357 -14.826 16.710 1.00 4.00 O ATOM 0 H TYR A 18 -3.379 -10.797 12.138 1.00 12.41 H new ATOM 0 HA TYR A 18 -4.746 -10.556 14.709 1.00 61.41 H new ATOM 0 HB2 TYR A 18 -1.950 -9.441 14.297 1.00 55.43 H new ATOM 0 HB3 TYR A 18 -2.919 -9.360 15.755 1.00 55.43 H new ATOM 0 HD1 TYR A 18 -0.953 -11.626 13.584 1.00 24.52 H new ATOM 0 HD2 TYR A 18 -3.026 -11.234 17.286 1.00 1.22 H new ATOM 0 HE1 TYR A 18 0.054 -13.724 14.369 1.00 2.23 H new ATOM 0 HE2 TYR A 18 -2.016 -13.328 18.075 1.00 23.31 H new ATOM 0 HH TYR A 18 -0.671 -15.019 17.618 1.00 4.00 H new ATOM 300 N PRO A 19 -5.149 -8.077 14.244 1.00 22.04 N ATOM 301 CA PRO A 19 -5.653 -6.771 13.811 1.00 53.25 C ATOM 302 C PRO A 19 -4.542 -5.735 13.678 1.00 12.14 C ATOM 303 O PRO A 19 -3.390 -5.997 14.026 1.00 34.35 O ATOM 304 CB PRO A 19 -6.622 -6.376 14.928 1.00 74.03 C ATOM 305 CG PRO A 19 -6.137 -7.113 16.128 1.00 2.52 C ATOM 306 CD PRO A 19 -5.566 -8.407 15.617 1.00 14.34 C ATOM 0 HA PRO A 19 -6.115 -6.820 12.825 1.00 53.25 H new ATOM 0 HB2 PRO A 19 -6.615 -5.299 15.095 1.00 74.03 H new ATOM 0 HB3 PRO A 19 -7.646 -6.654 14.680 1.00 74.03 H new ATOM 0 HG2 PRO A 19 -5.381 -6.536 16.661 1.00 2.52 H new ATOM 0 HG3 PRO A 19 -6.951 -7.296 16.829 1.00 2.52 H new ATOM 0 HD2 PRO A 19 -4.724 -8.742 16.223 1.00 14.34 H new ATOM 0 HD3 PRO A 19 -6.307 -9.206 15.631 1.00 14.34 H new ATOM 314 N HIS A 20 -4.895 -4.557 13.174 1.00 43.32 N ATOM 315 CA HIS A 20 -3.926 -3.480 12.997 1.00 75.31 C ATOM 316 C HIS A 20 -3.550 -2.862 14.340 1.00 24.30 C ATOM 317 O HIS A 20 -4.375 -2.782 15.250 1.00 4.31 O ATOM 318 CB HIS A 20 -4.492 -2.405 12.068 1.00 25.13 C ATOM 319 CG HIS A 20 -5.002 -2.945 10.768 1.00 41.12 C ATOM 320 ND1 HIS A 20 -6.215 -3.589 10.644 1.00 11.34 N ATOM 321 CD2 HIS A 20 -4.457 -2.932 9.529 1.00 63.20 C ATOM 322 CE1 HIS A 20 -6.393 -3.950 9.386 1.00 32.23 C ATOM 323 NE2 HIS A 20 -5.341 -3.563 8.689 1.00 64.24 N ATOM 0 H HIS A 20 -5.844 -4.323 12.881 1.00 43.32 H new ATOM 0 HA HIS A 20 -3.027 -3.902 12.547 1.00 75.31 H new ATOM 0 HB2 HIS A 20 -5.302 -1.885 12.579 1.00 25.13 H new ATOM 0 HB3 HIS A 20 -3.717 -1.666 11.866 1.00 25.13 H new ATOM 0 HD2 HIS A 20 -3.504 -2.505 9.253 1.00 63.20 H new ATOM 0 HE1 HIS A 20 -7.253 -4.473 8.994 1.00 32.23 H new ATOM 0 HE2 HIS A 20 -5.207 -3.709 7.689 1.00 64.24 H new ATOM 331 N TRP A 21 -2.300 -2.429 14.456 1.00 2.21 N ATOM 332 CA TRP A 21 -1.814 -1.819 15.689 1.00 40.12 C ATOM 333 C TRP A 21 -0.753 -0.765 15.393 1.00 11.51 C ATOM 334 O TRP A 21 0.114 -0.945 14.538 1.00 24.23 O ATOM 335 CB TRP A 21 -1.242 -2.889 16.620 1.00 2.33 C ATOM 336 CG TRP A 21 -0.592 -2.323 17.847 1.00 53.33 C ATOM 337 CD1 TRP A 21 0.664 -1.795 17.940 1.00 61.54 C ATOM 338 CD2 TRP A 21 -1.166 -2.230 19.155 1.00 54.50 C ATOM 339 NE1 TRP A 21 0.906 -1.380 19.227 1.00 74.10 N ATOM 340 CE2 TRP A 21 -0.202 -1.634 19.992 1.00 61.53 C ATOM 341 CE3 TRP A 21 -2.402 -2.589 19.701 1.00 43.34 C ATOM 342 CZ2 TRP A 21 -0.436 -1.393 21.343 1.00 72.32 C ATOM 343 CZ3 TRP A 21 -2.633 -2.349 21.042 1.00 45.12 C ATOM 344 CH2 TRP A 21 -1.654 -1.755 21.851 1.00 73.25 C ATOM 0 H TRP A 21 -1.605 -2.489 13.712 1.00 2.21 H new ATOM 0 HA TRP A 21 -2.656 -1.332 16.181 1.00 40.12 H new ATOM 0 HB2 TRP A 21 -2.043 -3.565 16.921 1.00 2.33 H new ATOM 0 HB3 TRP A 21 -0.511 -3.484 16.072 1.00 2.33 H new ATOM 0 HD1 TRP A 21 1.364 -1.715 17.122 1.00 61.54 H new ATOM 0 HE1 TRP A 21 1.770 -0.952 19.559 1.00 74.10 H new ATOM 0 HE3 TRP A 21 -3.163 -3.046 19.085 1.00 43.34 H new ATOM 0 HZ2 TRP A 21 0.317 -0.936 21.968 1.00 72.32 H new ATOM 0 HZ3 TRP A 21 -3.584 -2.624 21.474 1.00 45.12 H new ATOM 0 HH2 TRP A 21 -1.865 -1.580 22.896 1.00 73.25 H new ATOM 355 N PRO A 22 -0.821 0.364 16.115 1.00 21.33 N ATOM 356 CA PRO A 22 0.127 1.469 15.948 1.00 64.01 C ATOM 357 C PRO A 22 1.523 1.116 16.449 1.00 25.13 C ATOM 358 O PRO A 22 1.724 0.881 17.640 1.00 4.15 O ATOM 359 CB PRO A 22 -0.479 2.588 16.798 1.00 41.30 C ATOM 360 CG PRO A 22 -1.299 1.884 17.823 1.00 22.21 C ATOM 361 CD PRO A 22 -1.828 0.647 17.151 1.00 13.03 C ATOM 0 HA PRO A 22 0.261 1.736 14.900 1.00 64.01 H new ATOM 0 HB2 PRO A 22 0.297 3.197 17.262 1.00 41.30 H new ATOM 0 HB3 PRO A 22 -1.091 3.257 16.193 1.00 41.30 H new ATOM 0 HG2 PRO A 22 -0.698 1.628 18.695 1.00 22.21 H new ATOM 0 HG3 PRO A 22 -2.114 2.517 18.173 1.00 22.21 H new ATOM 0 HD2 PRO A 22 -1.926 -0.181 17.853 1.00 13.03 H new ATOM 0 HD3 PRO A 22 -2.814 0.816 16.718 1.00 13.03 H new ATOM 369 N ALA A 23 2.485 1.081 15.533 1.00 61.33 N ATOM 370 CA ALA A 23 3.863 0.759 15.883 1.00 71.21 C ATOM 371 C ALA A 23 4.831 1.785 15.303 1.00 33.13 C ATOM 372 O ALA A 23 4.414 2.778 14.708 1.00 54.42 O ATOM 373 CB ALA A 23 4.218 -0.638 15.397 1.00 64.44 C ATOM 0 H ALA A 23 2.335 1.272 14.542 1.00 61.33 H new ATOM 0 HA ALA A 23 3.952 0.788 16.969 1.00 71.21 H new ATOM 0 HB1 ALA A 23 5.250 -0.865 15.665 1.00 64.44 H new ATOM 0 HB2 ALA A 23 3.553 -1.365 15.863 1.00 64.44 H new ATOM 0 HB3 ALA A 23 4.106 -0.686 14.314 1.00 64.44 H new ATOM 379 N ARG A 24 6.124 1.538 15.482 1.00 3.33 N ATOM 380 CA ARG A 24 7.151 2.442 14.979 1.00 42.35 C ATOM 381 C ARG A 24 8.206 1.678 14.184 1.00 50.13 C ATOM 382 O ARG A 24 8.674 0.622 14.608 1.00 32.53 O ATOM 383 CB ARG A 24 7.813 3.192 16.136 1.00 24.21 C ATOM 384 CG ARG A 24 9.067 3.951 15.733 1.00 61.54 C ATOM 385 CD ARG A 24 10.324 3.149 16.032 1.00 61.55 C ATOM 386 NE ARG A 24 11.523 3.983 16.013 1.00 32.42 N ATOM 387 CZ ARG A 24 11.901 4.749 17.030 1.00 35.13 C ATOM 388 NH1 ARG A 24 11.177 4.786 18.141 1.00 42.21 N ATOM 389 NH2 ARG A 24 13.004 5.480 16.938 1.00 63.41 N ATOM 0 H ARG A 24 6.485 0.719 15.972 1.00 3.33 H new ATOM 0 HA ARG A 24 6.672 3.162 14.316 1.00 42.35 H new ATOM 0 HB2 ARG A 24 7.095 3.893 16.561 1.00 24.21 H new ATOM 0 HB3 ARG A 24 8.066 2.480 16.921 1.00 24.21 H new ATOM 0 HG2 ARG A 24 9.027 4.183 14.669 1.00 61.54 H new ATOM 0 HG3 ARG A 24 9.105 4.901 16.265 1.00 61.54 H new ATOM 0 HD2 ARG A 24 10.228 2.675 17.009 1.00 61.55 H new ATOM 0 HD3 ARG A 24 10.427 2.349 15.298 1.00 61.55 H new ATOM 0 HE ARG A 24 12.101 3.977 15.173 1.00 32.42 H new ATOM 0 HH11 ARG A 24 10.328 4.225 18.215 1.00 42.21 H new ATOM 0 HH12 ARG A 24 11.469 5.375 18.921 1.00 42.21 H new ATOM 0 HH21 ARG A 24 13.563 5.454 16.085 1.00 63.41 H new ATOM 0 HH22 ARG A 24 13.293 6.068 17.720 1.00 63.41 H new ATOM 403 N VAL A 25 8.576 2.220 13.027 1.00 33.43 N ATOM 404 CA VAL A 25 9.575 1.590 12.173 1.00 22.40 C ATOM 405 C VAL A 25 10.983 1.826 12.708 1.00 21.33 C ATOM 406 O VAL A 25 11.332 2.941 13.096 1.00 31.10 O ATOM 407 CB VAL A 25 9.492 2.117 10.728 1.00 11.34 C ATOM 408 CG1 VAL A 25 10.479 1.383 9.834 1.00 41.32 C ATOM 409 CG2 VAL A 25 8.074 1.984 10.194 1.00 70.42 C ATOM 0 H VAL A 25 8.198 3.094 12.660 1.00 33.43 H new ATOM 0 HA VAL A 25 9.363 0.521 12.174 1.00 22.40 H new ATOM 0 HB VAL A 25 9.758 3.174 10.729 1.00 11.34 H new ATOM 0 HG11 VAL A 25 10.406 1.769 8.817 1.00 41.32 H new ATOM 0 HG12 VAL A 25 11.491 1.535 10.208 1.00 41.32 H new ATOM 0 HG13 VAL A 25 10.248 0.318 9.835 1.00 41.32 H new ATOM 0 HG21 VAL A 25 8.033 2.361 9.172 1.00 70.42 H new ATOM 0 HG22 VAL A 25 7.778 0.935 10.206 1.00 70.42 H new ATOM 0 HG23 VAL A 25 7.394 2.560 10.821 1.00 70.42 H new ATOM 419 N ASP A 26 11.788 0.769 12.726 1.00 0.11 N ATOM 420 CA ASP A 26 13.160 0.861 13.212 1.00 12.14 C ATOM 421 C ASP A 26 14.148 0.883 12.050 1.00 31.14 C ATOM 422 O ASP A 26 13.767 0.692 10.896 1.00 12.51 O ATOM 423 CB ASP A 26 13.473 -0.312 14.143 1.00 43.32 C ATOM 424 CG ASP A 26 14.517 0.039 15.185 1.00 12.21 C ATOM 425 OD1 ASP A 26 14.944 1.212 15.226 1.00 43.12 O ATOM 426 OD2 ASP A 26 14.905 -0.859 15.961 1.00 43.22 O ATOM 0 H ASP A 26 11.514 -0.161 12.410 1.00 0.11 H new ATOM 0 HA ASP A 26 13.261 1.793 13.768 1.00 12.14 H new ATOM 0 HB2 ASP A 26 12.558 -0.630 14.642 1.00 43.32 H new ATOM 0 HB3 ASP A 26 13.824 -1.158 13.552 1.00 43.32 H new ATOM 431 N GLU A 27 15.418 1.117 12.365 1.00 42.53 N ATOM 432 CA GLU A 27 16.460 1.166 11.346 1.00 41.14 C ATOM 433 C GLU A 27 17.127 -0.197 11.184 1.00 3.22 C ATOM 434 O GLU A 27 16.857 -1.127 11.944 1.00 12.21 O ATOM 435 CB GLU A 27 17.509 2.220 11.707 1.00 51.12 C ATOM 436 CG GLU A 27 17.048 3.647 11.460 1.00 31.24 C ATOM 437 CD GLU A 27 18.084 4.674 11.873 1.00 1.11 C ATOM 438 OE1 GLU A 27 19.072 4.287 12.531 1.00 5.45 O ATOM 439 OE2 GLU A 27 17.907 5.864 11.538 1.00 31.13 O ATOM 0 H GLU A 27 15.750 1.275 13.316 1.00 42.53 H new ATOM 0 HA GLU A 27 15.994 1.438 10.399 1.00 41.14 H new ATOM 0 HB2 GLU A 27 17.776 2.110 12.758 1.00 51.12 H new ATOM 0 HB3 GLU A 27 18.413 2.034 11.128 1.00 51.12 H new ATOM 0 HG2 GLU A 27 16.819 3.773 10.402 1.00 31.24 H new ATOM 0 HG3 GLU A 27 16.124 3.827 12.010 1.00 31.24 H new ATOM 446 N VAL A 28 18.001 -0.307 10.188 1.00 34.32 N ATOM 447 CA VAL A 28 18.707 -1.555 9.926 1.00 25.32 C ATOM 448 C VAL A 28 19.558 -1.967 11.123 1.00 43.45 C ATOM 449 O VAL A 28 19.971 -1.140 11.936 1.00 14.32 O ATOM 450 CB VAL A 28 19.610 -1.439 8.684 1.00 43.12 C ATOM 451 CG1 VAL A 28 18.774 -1.438 7.414 1.00 55.44 C ATOM 452 CG2 VAL A 28 20.471 -0.187 8.766 1.00 32.15 C ATOM 0 H VAL A 28 18.237 0.453 9.550 1.00 34.32 H new ATOM 0 HA VAL A 28 17.948 -2.316 9.744 1.00 25.32 H new ATOM 0 HB VAL A 28 20.271 -2.305 8.655 1.00 43.12 H new ATOM 0 HG11 VAL A 28 19.429 -1.355 6.547 1.00 55.44 H new ATOM 0 HG12 VAL A 28 18.205 -2.366 7.352 1.00 55.44 H new ATOM 0 HG13 VAL A 28 18.087 -0.592 7.431 1.00 55.44 H new ATOM 0 HG21 VAL A 28 21.103 -0.121 7.880 1.00 32.15 H new ATOM 0 HG22 VAL A 28 19.830 0.693 8.821 1.00 32.15 H new ATOM 0 HG23 VAL A 28 21.098 -0.234 9.656 1.00 32.15 H new ATOM 462 N PRO A 29 19.829 -3.275 11.234 1.00 64.52 N ATOM 463 CA PRO A 29 20.635 -3.827 12.327 1.00 10.13 C ATOM 464 C PRO A 29 22.104 -3.432 12.222 1.00 51.35 C ATOM 465 O PRO A 29 22.513 -2.779 11.261 1.00 24.21 O ATOM 466 CB PRO A 29 20.475 -5.340 12.158 1.00 13.31 C ATOM 467 CG PRO A 29 20.161 -5.528 10.714 1.00 63.21 C ATOM 468 CD PRO A 29 19.371 -4.318 10.300 1.00 14.13 C ATOM 0 HA PRO A 29 20.310 -3.456 13.299 1.00 10.13 H new ATOM 0 HB2 PRO A 29 21.387 -5.868 12.437 1.00 13.31 H new ATOM 0 HB3 PRO A 29 19.676 -5.727 12.791 1.00 13.31 H new ATOM 0 HG2 PRO A 29 21.074 -5.618 10.125 1.00 63.21 H new ATOM 0 HG3 PRO A 29 19.588 -6.441 10.555 1.00 63.21 H new ATOM 0 HD2 PRO A 29 19.569 -4.044 9.264 1.00 14.13 H new ATOM 0 HD3 PRO A 29 18.298 -4.490 10.385 1.00 14.13 H new ATOM 476 N ASP A 30 22.892 -3.831 13.213 1.00 21.24 N ATOM 477 CA ASP A 30 24.317 -3.520 13.231 1.00 53.12 C ATOM 478 C ASP A 30 25.019 -4.118 12.016 1.00 74.42 C ATOM 479 O ASP A 30 26.112 -3.693 11.646 1.00 52.34 O ATOM 480 CB ASP A 30 24.959 -4.044 14.516 1.00 3.10 C ATOM 481 CG ASP A 30 26.247 -3.320 14.856 1.00 23.11 C ATOM 482 OD1 ASP A 30 26.413 -2.165 14.412 1.00 1.13 O ATOM 483 OD2 ASP A 30 27.090 -3.909 15.565 1.00 31.33 O ATOM 0 H ASP A 30 22.568 -4.371 14.016 1.00 21.24 H new ATOM 0 HA ASP A 30 24.428 -2.436 13.195 1.00 53.12 H new ATOM 0 HB2 ASP A 30 24.255 -3.935 15.341 1.00 3.10 H new ATOM 0 HB3 ASP A 30 25.162 -5.110 14.409 1.00 3.10 H new ATOM 488 N GLY A 31 24.382 -5.110 11.400 1.00 40.14 N ATOM 489 CA GLY A 31 24.961 -5.752 10.234 1.00 52.22 C ATOM 490 C GLY A 31 25.119 -7.248 10.415 1.00 63.43 C ATOM 491 O GLY A 31 25.306 -7.981 9.444 1.00 73.40 O ATOM 0 H GLY A 31 23.476 -5.480 11.688 1.00 40.14 H new ATOM 0 HA2 GLY A 31 24.331 -5.559 9.366 1.00 52.22 H new ATOM 0 HA3 GLY A 31 25.935 -5.309 10.025 1.00 52.22 H new ATOM 495 N ALA A 32 25.047 -7.703 11.661 1.00 32.14 N ATOM 496 CA ALA A 32 25.183 -9.122 11.966 1.00 3.12 C ATOM 497 C ALA A 32 24.080 -9.589 12.910 1.00 61.35 C ATOM 498 O ALA A 32 24.251 -10.559 13.648 1.00 32.23 O ATOM 499 CB ALA A 32 26.551 -9.403 12.570 1.00 2.23 C ATOM 0 H ALA A 32 24.895 -7.109 12.476 1.00 32.14 H new ATOM 0 HA ALA A 32 25.088 -9.679 11.034 1.00 3.12 H new ATOM 0 HB1 ALA A 32 26.639 -10.466 12.793 1.00 2.23 H new ATOM 0 HB2 ALA A 32 27.328 -9.115 11.861 1.00 2.23 H new ATOM 0 HB3 ALA A 32 26.668 -8.829 13.489 1.00 2.23 H new ATOM 505 N VAL A 33 22.948 -8.893 12.880 1.00 2.01 N ATOM 506 CA VAL A 33 21.816 -9.237 13.733 1.00 65.25 C ATOM 507 C VAL A 33 20.795 -10.079 12.976 1.00 13.42 C ATOM 508 O VAL A 33 19.671 -10.277 13.440 1.00 43.53 O ATOM 509 CB VAL A 33 21.122 -7.976 14.280 1.00 3.01 C ATOM 510 CG1 VAL A 33 20.234 -8.327 15.464 1.00 5.44 C ATOM 511 CG2 VAL A 33 22.153 -6.927 14.668 1.00 2.12 C ATOM 0 H VAL A 33 22.790 -8.088 12.274 1.00 2.01 H new ATOM 0 HA VAL A 33 22.212 -9.815 14.568 1.00 65.25 H new ATOM 0 HB VAL A 33 20.491 -7.559 13.495 1.00 3.01 H new ATOM 0 HG11 VAL A 33 19.752 -7.424 15.838 1.00 5.44 H new ATOM 0 HG12 VAL A 33 19.473 -9.041 15.149 1.00 5.44 H new ATOM 0 HG13 VAL A 33 20.840 -8.768 16.255 1.00 5.44 H new ATOM 0 HG21 VAL A 33 21.645 -6.042 15.053 1.00 2.12 H new ATOM 0 HG22 VAL A 33 22.811 -7.331 15.437 1.00 2.12 H new ATOM 0 HG23 VAL A 33 22.743 -6.655 13.792 1.00 2.12 H new ATOM 521 N LYS A 34 21.192 -10.573 11.808 1.00 14.15 N ATOM 522 CA LYS A 34 20.312 -11.395 10.987 1.00 60.55 C ATOM 523 C LYS A 34 19.093 -10.600 10.531 1.00 73.54 C ATOM 524 O LYS A 34 17.981 -10.785 11.026 1.00 12.43 O ATOM 525 CB LYS A 34 19.864 -12.635 11.765 1.00 42.32 C ATOM 526 CG LYS A 34 21.000 -13.350 12.476 1.00 1.41 C ATOM 527 CD LYS A 34 20.572 -14.721 12.972 1.00 3.42 C ATOM 528 CE LYS A 34 21.770 -15.562 13.386 1.00 73.44 C ATOM 529 NZ LYS A 34 22.490 -16.118 12.207 1.00 64.21 N ATOM 0 H LYS A 34 22.118 -10.418 11.409 1.00 14.15 H new ATOM 0 HA LYS A 34 20.869 -11.709 10.105 1.00 60.55 H new ATOM 0 HB2 LYS A 34 19.114 -12.341 12.500 1.00 42.32 H new ATOM 0 HB3 LYS A 34 19.382 -13.330 11.078 1.00 42.32 H new ATOM 0 HG2 LYS A 34 21.846 -13.456 11.797 1.00 1.41 H new ATOM 0 HG3 LYS A 34 21.340 -12.747 13.318 1.00 1.41 H new ATOM 0 HD2 LYS A 34 19.895 -14.608 13.819 1.00 3.42 H new ATOM 0 HD3 LYS A 34 20.018 -15.236 12.188 1.00 3.42 H new ATOM 0 HE2 LYS A 34 22.455 -14.953 13.976 1.00 73.44 H new ATOM 0 HE3 LYS A 34 21.437 -16.379 14.027 1.00 73.44 H new ATOM 0 HZ1 LYS A 34 23.237 -16.766 12.530 1.00 64.21 H new ATOM 0 HZ2 LYS A 34 21.820 -16.636 11.603 1.00 64.21 H new ATOM 0 HZ3 LYS A 34 22.917 -15.341 11.663 1.00 64.21 H new ATOM 543 N PRO A 35 19.303 -9.696 9.563 1.00 51.03 N ATOM 544 CA PRO A 35 18.232 -8.857 9.018 1.00 51.45 C ATOM 545 C PRO A 35 17.234 -9.657 8.188 1.00 15.10 C ATOM 546 O PRO A 35 17.468 -10.813 7.836 1.00 42.04 O ATOM 547 CB PRO A 35 18.981 -7.856 8.134 1.00 54.22 C ATOM 548 CG PRO A 35 20.240 -8.555 7.753 1.00 11.20 C ATOM 549 CD PRO A 35 20.602 -9.423 8.926 1.00 63.43 C ATOM 0 HA PRO A 35 17.639 -8.392 9.805 1.00 51.45 H new ATOM 0 HB2 PRO A 35 18.395 -7.589 7.255 1.00 54.22 H new ATOM 0 HB3 PRO A 35 19.189 -6.931 8.672 1.00 54.22 H new ATOM 0 HG2 PRO A 35 20.097 -9.154 6.854 1.00 11.20 H new ATOM 0 HG3 PRO A 35 21.034 -7.840 7.537 1.00 11.20 H new ATOM 0 HD2 PRO A 35 21.095 -10.342 8.609 1.00 63.43 H new ATOM 0 HD3 PRO A 35 21.284 -8.914 9.607 1.00 63.43 H new ATOM 557 N PRO A 36 16.092 -9.030 7.867 1.00 2.42 N ATOM 558 CA PRO A 36 15.036 -9.665 7.074 1.00 14.12 C ATOM 559 C PRO A 36 15.446 -9.870 5.620 1.00 22.21 C ATOM 560 O PRO A 36 16.513 -9.424 5.196 1.00 60.51 O ATOM 561 CB PRO A 36 13.876 -8.670 7.167 1.00 72.30 C ATOM 562 CG PRO A 36 14.525 -7.355 7.427 1.00 13.22 C ATOM 563 CD PRO A 36 15.745 -7.652 8.253 1.00 5.55 C ATOM 0 HA PRO A 36 14.792 -10.661 7.443 1.00 14.12 H new ATOM 0 HB2 PRO A 36 13.297 -8.650 6.244 1.00 72.30 H new ATOM 0 HB3 PRO A 36 13.188 -8.938 7.969 1.00 72.30 H new ATOM 0 HG2 PRO A 36 14.796 -6.862 6.493 1.00 13.22 H new ATOM 0 HG3 PRO A 36 13.849 -6.684 7.957 1.00 13.22 H new ATOM 0 HD2 PRO A 36 16.556 -6.957 8.035 1.00 5.55 H new ATOM 0 HD3 PRO A 36 15.536 -7.574 9.320 1.00 5.55 H new ATOM 571 N THR A 37 14.592 -10.548 4.859 1.00 45.23 N ATOM 572 CA THR A 37 14.867 -10.813 3.452 1.00 11.31 C ATOM 573 C THR A 37 13.897 -10.057 2.551 1.00 71.30 C ATOM 574 O THR A 37 14.265 -9.606 1.467 1.00 20.14 O ATOM 575 CB THR A 37 14.777 -12.318 3.136 1.00 5.41 C ATOM 576 OG1 THR A 37 14.806 -12.523 1.719 1.00 23.22 O ATOM 577 CG2 THR A 37 13.505 -12.917 3.715 1.00 71.52 C ATOM 0 H THR A 37 13.705 -10.923 5.193 1.00 45.23 H new ATOM 0 HA THR A 37 15.883 -10.469 3.258 1.00 11.31 H new ATOM 0 HB THR A 37 15.633 -12.815 3.592 1.00 5.41 H new ATOM 0 HG1 THR A 37 14.750 -13.482 1.526 1.00 23.22 H new ATOM 0 HG21 THR A 37 13.463 -13.980 3.479 1.00 71.52 H new ATOM 0 HG22 THR A 37 13.500 -12.785 4.797 1.00 71.52 H new ATOM 0 HG23 THR A 37 12.638 -12.416 3.285 1.00 71.52 H new ATOM 585 N ASN A 38 12.656 -9.923 3.007 1.00 54.43 N ATOM 586 CA ASN A 38 11.632 -9.221 2.241 1.00 41.23 C ATOM 587 C ASN A 38 10.691 -8.454 3.165 1.00 43.42 C ATOM 588 O ASN A 38 9.529 -8.222 2.833 1.00 53.24 O ATOM 589 CB ASN A 38 10.834 -10.211 1.390 1.00 40.33 C ATOM 590 CG ASN A 38 9.940 -9.516 0.381 1.00 34.20 C ATOM 591 OD1 ASN A 38 8.741 -9.349 0.609 1.00 44.12 O ATOM 592 ND2 ASN A 38 10.520 -9.108 -0.742 1.00 32.23 N ATOM 0 H ASN A 38 12.335 -10.291 3.903 1.00 54.43 H new ATOM 0 HA ASN A 38 12.130 -8.507 1.585 1.00 41.23 H new ATOM 0 HB2 ASN A 38 11.523 -10.873 0.866 1.00 40.33 H new ATOM 0 HB3 ASN A 38 10.224 -10.837 2.041 1.00 40.33 H new ATOM 0 HD21 ASN A 38 9.969 -8.635 -1.458 1.00 32.23 H new ATOM 0 HD22 ASN A 38 11.517 -9.268 -0.888 1.00 32.23 H new ATOM 599 N LYS A 39 11.202 -8.061 4.327 1.00 64.21 N ATOM 600 CA LYS A 39 10.410 -7.318 5.300 1.00 62.23 C ATOM 601 C LYS A 39 11.260 -6.263 6.001 1.00 54.23 C ATOM 602 O LYS A 39 12.465 -6.164 5.765 1.00 34.34 O ATOM 603 CB LYS A 39 9.808 -8.273 6.333 1.00 1.44 C ATOM 604 CG LYS A 39 9.119 -9.479 5.719 1.00 42.31 C ATOM 605 CD LYS A 39 8.570 -10.411 6.786 1.00 54.41 C ATOM 606 CE LYS A 39 8.475 -11.842 6.281 1.00 63.22 C ATOM 607 NZ LYS A 39 9.816 -12.480 6.167 1.00 2.21 N ATOM 0 H LYS A 39 12.162 -8.245 4.618 1.00 64.21 H new ATOM 0 HA LYS A 39 9.604 -6.814 4.767 1.00 62.23 H new ATOM 0 HB2 LYS A 39 10.598 -8.617 7.000 1.00 1.44 H new ATOM 0 HB3 LYS A 39 9.090 -7.727 6.944 1.00 1.44 H new ATOM 0 HG2 LYS A 39 8.307 -9.145 5.073 1.00 42.31 H new ATOM 0 HG3 LYS A 39 9.825 -10.021 5.089 1.00 42.31 H new ATOM 0 HD2 LYS A 39 9.212 -10.377 7.666 1.00 54.41 H new ATOM 0 HD3 LYS A 39 7.583 -10.068 7.098 1.00 54.41 H new ATOM 0 HE2 LYS A 39 7.852 -12.426 6.958 1.00 63.22 H new ATOM 0 HE3 LYS A 39 7.984 -11.852 5.308 1.00 63.22 H new ATOM 0 HZ1 LYS A 39 9.704 -13.511 6.087 1.00 2.21 H new ATOM 0 HZ2 LYS A 39 10.302 -12.118 5.322 1.00 2.21 H new ATOM 0 HZ3 LYS A 39 10.379 -12.258 7.013 1.00 2.21 H new ATOM 621 N LEU A 40 10.625 -5.477 6.863 1.00 10.33 N ATOM 622 CA LEU A 40 11.323 -4.429 7.600 1.00 20.14 C ATOM 623 C LEU A 40 11.047 -4.540 9.097 1.00 43.24 C ATOM 624 O LEU A 40 10.068 -5.149 9.529 1.00 44.50 O ATOM 625 CB LEU A 40 10.897 -3.050 7.092 1.00 22.54 C ATOM 626 CG LEU A 40 9.448 -2.927 6.622 1.00 53.14 C ATOM 627 CD1 LEU A 40 8.931 -1.515 6.849 1.00 43.44 C ATOM 628 CD2 LEU A 40 9.329 -3.311 5.154 1.00 41.31 C ATOM 0 H LEU A 40 9.628 -5.545 7.069 1.00 10.33 H new ATOM 0 HA LEU A 40 12.393 -4.555 7.436 1.00 20.14 H new ATOM 0 HB2 LEU A 40 11.063 -2.324 7.888 1.00 22.54 H new ATOM 0 HB3 LEU A 40 11.551 -2.771 6.266 1.00 22.54 H new ATOM 0 HG LEU A 40 8.837 -3.614 7.207 1.00 53.14 H new ATOM 0 HD11 LEU A 40 7.898 -1.447 6.508 1.00 43.44 H new ATOM 0 HD12 LEU A 40 8.979 -1.276 7.911 1.00 43.44 H new ATOM 0 HD13 LEU A 40 9.545 -0.809 6.290 1.00 43.44 H new ATOM 0 HD21 LEU A 40 8.290 -3.218 4.836 1.00 41.31 H new ATOM 0 HD22 LEU A 40 9.953 -2.650 4.553 1.00 41.31 H new ATOM 0 HD23 LEU A 40 9.658 -4.341 5.020 1.00 41.31 H new ATOM 640 N PRO A 41 11.929 -3.936 9.907 1.00 10.02 N ATOM 641 CA PRO A 41 11.800 -3.950 11.367 1.00 24.24 C ATOM 642 C PRO A 41 10.627 -3.107 11.854 1.00 33.13 C ATOM 643 O PRO A 41 10.554 -1.909 11.578 1.00 24.32 O ATOM 644 CB PRO A 41 13.125 -3.350 11.846 1.00 33.20 C ATOM 645 CG PRO A 41 13.588 -2.503 10.712 1.00 45.21 C ATOM 646 CD PRO A 41 13.119 -3.192 9.461 1.00 71.32 C ATOM 0 HA PRO A 41 11.607 -4.952 11.749 1.00 24.24 H new ATOM 0 HB2 PRO A 41 12.988 -2.759 12.751 1.00 33.20 H new ATOM 0 HB3 PRO A 41 13.851 -4.129 12.081 1.00 33.20 H new ATOM 0 HG2 PRO A 41 13.174 -1.497 10.782 1.00 45.21 H new ATOM 0 HG3 PRO A 41 14.673 -2.402 10.718 1.00 45.21 H new ATOM 0 HD2 PRO A 41 12.875 -2.477 8.676 1.00 71.32 H new ATOM 0 HD3 PRO A 41 13.882 -3.858 9.059 1.00 71.32 H new ATOM 654 N ILE A 42 9.711 -3.740 12.580 1.00 54.44 N ATOM 655 CA ILE A 42 8.541 -3.046 13.106 1.00 64.32 C ATOM 656 C ILE A 42 8.481 -3.146 14.626 1.00 30.32 C ATOM 657 O ILE A 42 8.210 -4.213 15.179 1.00 44.23 O ATOM 658 CB ILE A 42 7.237 -3.612 12.513 1.00 23.01 C ATOM 659 CG1 ILE A 42 7.338 -3.695 10.989 1.00 62.14 C ATOM 660 CG2 ILE A 42 6.052 -2.752 12.925 1.00 73.22 C ATOM 661 CD1 ILE A 42 7.625 -2.365 10.329 1.00 51.54 C ATOM 0 H ILE A 42 9.756 -4.731 12.817 1.00 54.44 H new ATOM 0 HA ILE A 42 8.637 -2.000 12.817 1.00 64.32 H new ATOM 0 HB ILE A 42 7.084 -4.618 12.903 1.00 23.01 H new ATOM 0 HG12 ILE A 42 8.125 -4.401 10.723 1.00 62.14 H new ATOM 0 HG13 ILE A 42 6.405 -4.094 10.592 1.00 62.14 H new ATOM 0 HG21 ILE A 42 5.138 -3.164 12.499 1.00 73.22 H new ATOM 0 HG22 ILE A 42 5.972 -2.740 14.012 1.00 73.22 H new ATOM 0 HG23 ILE A 42 6.196 -1.735 12.560 1.00 73.22 H new ATOM 0 HD11 ILE A 42 7.683 -2.500 9.249 1.00 51.54 H new ATOM 0 HD12 ILE A 42 6.826 -1.662 10.565 1.00 51.54 H new ATOM 0 HD13 ILE A 42 8.573 -1.973 10.697 1.00 51.54 H new ATOM 673 N PHE A 43 8.733 -2.028 15.298 1.00 42.33 N ATOM 674 CA PHE A 43 8.707 -1.989 16.755 1.00 13.52 C ATOM 675 C PHE A 43 7.290 -1.747 17.267 1.00 33.12 C ATOM 676 O PHE A 43 6.758 -0.642 17.158 1.00 73.25 O ATOM 677 CB PHE A 43 9.642 -0.894 17.274 1.00 31.32 C ATOM 678 CG PHE A 43 9.761 -0.868 18.771 1.00 23.22 C ATOM 679 CD1 PHE A 43 10.156 -1.999 19.468 1.00 70.13 C ATOM 680 CD2 PHE A 43 9.480 0.287 19.482 1.00 54.31 C ATOM 681 CE1 PHE A 43 10.266 -1.978 20.845 1.00 12.13 C ATOM 682 CE2 PHE A 43 9.588 0.315 20.860 1.00 61.34 C ATOM 683 CZ PHE A 43 9.983 -0.819 21.542 1.00 72.31 C ATOM 0 H PHE A 43 8.958 -1.136 14.856 1.00 42.33 H new ATOM 0 HA PHE A 43 9.049 -2.955 17.126 1.00 13.52 H new ATOM 0 HB2 PHE A 43 10.632 -1.037 16.841 1.00 31.32 H new ATOM 0 HB3 PHE A 43 9.281 0.075 16.929 1.00 31.32 H new ATOM 0 HD1 PHE A 43 10.380 -2.907 18.928 1.00 70.13 H new ATOM 0 HD2 PHE A 43 9.173 1.177 18.953 1.00 54.31 H new ATOM 0 HE1 PHE A 43 10.573 -2.867 21.376 1.00 12.13 H new ATOM 0 HE2 PHE A 43 9.364 1.222 21.402 1.00 61.34 H new ATOM 0 HZ PHE A 43 10.071 -0.800 22.618 1.00 72.31 H new ATOM 693 N PHE A 44 6.684 -2.789 17.826 1.00 34.24 N ATOM 694 CA PHE A 44 5.328 -2.692 18.354 1.00 33.23 C ATOM 695 C PHE A 44 5.309 -1.910 19.664 1.00 13.03 C ATOM 696 O PHE A 44 5.864 -2.350 20.671 1.00 33.13 O ATOM 697 CB PHE A 44 4.741 -4.089 18.572 1.00 5.44 C ATOM 698 CG PHE A 44 4.118 -4.676 17.339 1.00 72.31 C ATOM 699 CD1 PHE A 44 3.173 -3.964 16.617 1.00 23.25 C ATOM 700 CD2 PHE A 44 4.476 -5.941 16.901 1.00 33.31 C ATOM 701 CE1 PHE A 44 2.598 -4.502 15.482 1.00 53.14 C ATOM 702 CE2 PHE A 44 3.904 -6.484 15.766 1.00 51.11 C ATOM 703 CZ PHE A 44 2.963 -5.764 15.056 1.00 11.00 C ATOM 0 H PHE A 44 7.110 -3.710 17.925 1.00 34.24 H new ATOM 0 HA PHE A 44 4.718 -2.159 17.624 1.00 33.23 H new ATOM 0 HB2 PHE A 44 5.529 -4.755 18.923 1.00 5.44 H new ATOM 0 HB3 PHE A 44 3.990 -4.040 19.361 1.00 5.44 H new ATOM 0 HD1 PHE A 44 2.883 -2.977 16.946 1.00 23.25 H new ATOM 0 HD2 PHE A 44 5.210 -6.509 17.453 1.00 33.31 H new ATOM 0 HE1 PHE A 44 1.864 -3.936 14.928 1.00 53.14 H new ATOM 0 HE2 PHE A 44 4.193 -7.471 15.434 1.00 51.11 H new ATOM 0 HZ PHE A 44 2.514 -6.187 14.170 1.00 11.00 H new ATOM 713 N PHE A 45 4.666 -0.747 19.643 1.00 44.23 N ATOM 714 CA PHE A 45 4.576 0.099 20.827 1.00 32.44 C ATOM 715 C PHE A 45 3.511 -0.424 21.788 1.00 4.40 C ATOM 716 O PHE A 45 2.513 -1.007 21.368 1.00 11.31 O ATOM 717 CB PHE A 45 4.255 1.540 20.428 1.00 41.42 C ATOM 718 CG PHE A 45 5.466 2.426 20.357 1.00 11.34 C ATOM 719 CD1 PHE A 45 6.399 2.429 21.382 1.00 63.25 C ATOM 720 CD2 PHE A 45 5.671 3.256 19.267 1.00 0.31 C ATOM 721 CE1 PHE A 45 7.514 3.244 21.319 1.00 32.35 C ATOM 722 CE2 PHE A 45 6.784 4.073 19.199 1.00 10.24 C ATOM 723 CZ PHE A 45 7.707 4.066 20.227 1.00 61.14 C ATOM 0 H PHE A 45 4.199 -0.369 18.818 1.00 44.23 H new ATOM 0 HA PHE A 45 5.541 0.077 21.333 1.00 32.44 H new ATOM 0 HB2 PHE A 45 3.759 1.538 19.458 1.00 41.42 H new ATOM 0 HB3 PHE A 45 3.550 1.959 21.146 1.00 41.42 H new ATOM 0 HD1 PHE A 45 6.253 1.788 22.239 1.00 63.25 H new ATOM 0 HD2 PHE A 45 4.953 3.265 18.461 1.00 0.31 H new ATOM 0 HE1 PHE A 45 8.234 3.238 22.124 1.00 32.35 H new ATOM 0 HE2 PHE A 45 6.932 4.716 18.344 1.00 10.24 H new ATOM 0 HZ PHE A 45 8.578 4.703 20.176 1.00 61.14 H new ATOM 733 N GLY A 46 3.734 -0.210 23.081 1.00 13.34 N ATOM 734 CA GLY A 46 2.786 -0.665 24.082 1.00 24.11 C ATOM 735 C GLY A 46 3.106 -2.056 24.593 1.00 44.02 C ATOM 736 O GLY A 46 2.932 -2.347 25.777 1.00 53.03 O ATOM 0 H GLY A 46 4.553 0.270 23.453 1.00 13.34 H new ATOM 0 HA2 GLY A 46 2.782 0.034 24.918 1.00 24.11 H new ATOM 0 HA3 GLY A 46 1.782 -0.659 23.657 1.00 24.11 H new ATOM 740 N THR A 47 3.575 -2.920 23.698 1.00 63.11 N ATOM 741 CA THR A 47 3.917 -4.289 24.063 1.00 5.24 C ATOM 742 C THR A 47 5.425 -4.508 24.022 1.00 64.44 C ATOM 743 O THR A 47 5.921 -5.560 24.428 1.00 3.32 O ATOM 744 CB THR A 47 3.236 -5.307 23.130 1.00 52.23 C ATOM 745 OG1 THR A 47 3.770 -5.192 21.806 1.00 11.31 O ATOM 746 CG2 THR A 47 1.731 -5.087 23.096 1.00 51.33 C ATOM 0 H THR A 47 3.727 -2.696 22.715 1.00 63.11 H new ATOM 0 HA THR A 47 3.557 -4.444 25.080 1.00 5.24 H new ATOM 0 HB THR A 47 3.433 -6.308 23.515 1.00 52.23 H new ATOM 0 HG1 THR A 47 3.078 -5.426 21.153 1.00 11.31 H new ATOM 0 HG21 THR A 47 1.271 -5.818 22.430 1.00 51.33 H new ATOM 0 HG22 THR A 47 1.323 -5.204 24.100 1.00 51.33 H new ATOM 0 HG23 THR A 47 1.518 -4.081 22.733 1.00 51.33 H new ATOM 754 N HIS A 48 6.151 -3.510 23.528 1.00 12.22 N ATOM 755 CA HIS A 48 7.604 -3.594 23.435 1.00 50.13 C ATOM 756 C HIS A 48 8.026 -4.811 22.617 1.00 23.14 C ATOM 757 O HIS A 48 9.069 -5.411 22.875 1.00 44.22 O ATOM 758 CB HIS A 48 8.223 -3.663 24.831 1.00 33.02 C ATOM 759 CG HIS A 48 8.283 -2.338 25.526 1.00 52.40 C ATOM 760 ND1 HIS A 48 8.304 -1.135 24.852 1.00 41.21 N ATOM 761 CD2 HIS A 48 8.325 -2.030 26.843 1.00 14.34 C ATOM 762 CE1 HIS A 48 8.358 -0.144 25.725 1.00 60.54 C ATOM 763 NE2 HIS A 48 8.371 -0.661 26.940 1.00 0.33 N ATOM 0 H HIS A 48 5.757 -2.634 23.186 1.00 12.22 H new ATOM 0 HA HIS A 48 7.964 -2.697 22.931 1.00 50.13 H new ATOM 0 HB2 HIS A 48 7.646 -4.358 25.441 1.00 33.02 H new ATOM 0 HB3 HIS A 48 9.232 -4.069 24.753 1.00 33.02 H new ATOM 0 HD2 HIS A 48 8.323 -2.731 27.665 1.00 14.34 H new ATOM 0 HE1 HIS A 48 8.387 0.909 25.485 1.00 60.54 H new ATOM 0 HE2 HIS A 48 8.409 -0.130 27.810 1.00 0.33 H new ATOM 771 N GLU A 49 7.208 -5.170 21.633 1.00 42.31 N ATOM 772 CA GLU A 49 7.497 -6.316 20.780 1.00 63.42 C ATOM 773 C GLU A 49 8.071 -5.866 19.439 1.00 24.44 C ATOM 774 O GLU A 49 8.164 -4.671 19.160 1.00 11.50 O ATOM 775 CB GLU A 49 6.230 -7.144 20.553 1.00 43.55 C ATOM 776 CG GLU A 49 5.506 -7.513 21.836 1.00 0.22 C ATOM 777 CD GLU A 49 4.111 -8.052 21.585 1.00 41.43 C ATOM 778 OE1 GLU A 49 3.470 -7.605 20.610 1.00 1.03 O ATOM 779 OE2 GLU A 49 3.660 -8.919 22.362 1.00 44.13 O ATOM 0 H GLU A 49 6.340 -4.684 21.407 1.00 42.31 H new ATOM 0 HA GLU A 49 8.240 -6.933 21.285 1.00 63.42 H new ATOM 0 HB2 GLU A 49 5.550 -6.584 19.911 1.00 43.55 H new ATOM 0 HB3 GLU A 49 6.494 -8.057 20.019 1.00 43.55 H new ATOM 0 HG2 GLU A 49 6.088 -8.260 22.375 1.00 0.22 H new ATOM 0 HG3 GLU A 49 5.442 -6.634 22.478 1.00 0.22 H new ATOM 786 N THR A 50 8.457 -6.834 18.613 1.00 52.54 N ATOM 787 CA THR A 50 9.023 -6.538 17.303 1.00 65.53 C ATOM 788 C THR A 50 8.699 -7.642 16.302 1.00 24.03 C ATOM 789 O THR A 50 8.999 -8.812 16.536 1.00 32.54 O ATOM 790 CB THR A 50 10.552 -6.362 17.378 1.00 31.55 C ATOM 791 OG1 THR A 50 11.114 -6.392 16.062 1.00 63.11 O ATOM 792 CG2 THR A 50 11.181 -7.456 18.229 1.00 50.31 C ATOM 0 H THR A 50 8.388 -7.829 18.828 1.00 52.54 H new ATOM 0 HA THR A 50 8.573 -5.603 16.968 1.00 65.53 H new ATOM 0 HB THR A 50 10.762 -5.397 17.840 1.00 31.55 H new ATOM 0 HG1 THR A 50 12.086 -6.278 16.119 1.00 63.11 H new ATOM 0 HG21 THR A 50 12.261 -7.311 18.268 1.00 50.31 H new ATOM 0 HG22 THR A 50 10.773 -7.412 19.239 1.00 50.31 H new ATOM 0 HG23 THR A 50 10.961 -8.430 17.791 1.00 50.31 H new ATOM 800 N ALA A 51 8.087 -7.261 15.186 1.00 35.32 N ATOM 801 CA ALA A 51 7.725 -8.219 14.149 1.00 55.14 C ATOM 802 C ALA A 51 8.211 -7.755 12.780 1.00 75.03 C ATOM 803 O ALA A 51 8.243 -6.558 12.494 1.00 4.24 O ATOM 804 CB ALA A 51 6.218 -8.434 14.131 1.00 4.11 C ATOM 0 H ALA A 51 7.832 -6.296 14.977 1.00 35.32 H new ATOM 0 HA ALA A 51 8.213 -9.166 14.378 1.00 55.14 H new ATOM 0 HB1 ALA A 51 5.962 -9.152 13.352 1.00 4.11 H new ATOM 0 HB2 ALA A 51 5.894 -8.818 15.098 1.00 4.11 H new ATOM 0 HB3 ALA A 51 5.718 -7.487 13.930 1.00 4.11 H new ATOM 810 N PHE A 52 8.588 -8.710 11.936 1.00 11.01 N ATOM 811 CA PHE A 52 9.074 -8.399 10.597 1.00 41.30 C ATOM 812 C PHE A 52 7.960 -8.550 9.565 1.00 2.22 C ATOM 813 O PHE A 52 7.432 -9.644 9.361 1.00 53.53 O ATOM 814 CB PHE A 52 10.248 -9.310 10.233 1.00 5.43 C ATOM 815 CG PHE A 52 11.550 -8.885 10.852 1.00 71.54 C ATOM 816 CD1 PHE A 52 12.060 -7.618 10.623 1.00 11.53 C ATOM 817 CD2 PHE A 52 12.263 -9.754 11.662 1.00 61.44 C ATOM 818 CE1 PHE A 52 13.258 -7.225 11.190 1.00 34.24 C ATOM 819 CE2 PHE A 52 13.461 -9.367 12.232 1.00 63.41 C ATOM 820 CZ PHE A 52 13.959 -8.101 11.997 1.00 55.33 C ATOM 0 H PHE A 52 8.566 -9.706 12.156 1.00 11.01 H new ATOM 0 HA PHE A 52 9.412 -7.363 10.592 1.00 41.30 H new ATOM 0 HB2 PHE A 52 10.020 -10.328 10.549 1.00 5.43 H new ATOM 0 HB3 PHE A 52 10.360 -9.330 9.149 1.00 5.43 H new ATOM 0 HD1 PHE A 52 11.516 -6.929 9.994 1.00 11.53 H new ATOM 0 HD2 PHE A 52 11.878 -10.745 11.850 1.00 61.44 H new ATOM 0 HE1 PHE A 52 13.646 -6.235 11.003 1.00 34.24 H new ATOM 0 HE2 PHE A 52 14.007 -10.054 12.861 1.00 63.41 H new ATOM 0 HZ PHE A 52 14.894 -7.796 12.443 1.00 55.33 H new ATOM 830 N LEU A 53 7.608 -7.445 8.918 1.00 12.50 N ATOM 831 CA LEU A 53 6.556 -7.452 7.907 1.00 21.21 C ATOM 832 C LEU A 53 6.907 -6.523 6.750 1.00 54.25 C ATOM 833 O LEU A 53 7.483 -5.454 6.950 1.00 34.44 O ATOM 834 CB LEU A 53 5.222 -7.032 8.527 1.00 22.42 C ATOM 835 CG LEU A 53 4.889 -7.652 9.885 1.00 75.24 C ATOM 836 CD1 LEU A 53 3.788 -6.863 10.576 1.00 52.42 C ATOM 837 CD2 LEU A 53 4.480 -9.109 9.720 1.00 54.32 C ATOM 0 H LEU A 53 8.035 -6.532 9.075 1.00 12.50 H new ATOM 0 HA LEU A 53 6.466 -8.467 7.519 1.00 21.21 H new ATOM 0 HB2 LEU A 53 5.220 -5.947 8.635 1.00 22.42 H new ATOM 0 HB3 LEU A 53 4.424 -7.285 7.829 1.00 22.42 H new ATOM 0 HG LEU A 53 5.782 -7.614 10.509 1.00 75.24 H new ATOM 0 HD11 LEU A 53 3.564 -7.319 11.541 1.00 52.42 H new ATOM 0 HD12 LEU A 53 4.117 -5.835 10.728 1.00 52.42 H new ATOM 0 HD13 LEU A 53 2.892 -6.869 9.955 1.00 52.42 H new ATOM 0 HD21 LEU A 53 4.247 -9.534 10.696 1.00 54.32 H new ATOM 0 HD22 LEU A 53 3.601 -9.170 9.078 1.00 54.32 H new ATOM 0 HD23 LEU A 53 5.299 -9.668 9.267 1.00 54.32 H new ATOM 849 N GLY A 54 6.553 -6.937 5.537 1.00 52.25 N ATOM 850 CA GLY A 54 6.836 -6.129 4.365 1.00 42.21 C ATOM 851 C GLY A 54 6.049 -4.834 4.349 1.00 14.23 C ATOM 852 O GLY A 54 5.276 -4.541 5.262 1.00 72.30 O ATOM 0 H GLY A 54 6.075 -7.818 5.345 1.00 52.25 H new ATOM 0 HA2 GLY A 54 7.902 -5.903 4.332 1.00 42.21 H new ATOM 0 HA3 GLY A 54 6.604 -6.703 3.468 1.00 42.21 H new ATOM 856 N PRO A 55 6.243 -4.031 3.292 1.00 31.14 N ATOM 857 CA PRO A 55 5.554 -2.746 3.137 1.00 65.31 C ATOM 858 C PRO A 55 4.065 -2.917 2.858 1.00 41.25 C ATOM 859 O PRO A 55 3.232 -2.209 3.423 1.00 54.31 O ATOM 860 CB PRO A 55 6.255 -2.112 1.933 1.00 2.20 C ATOM 861 CG PRO A 55 6.790 -3.264 1.155 1.00 74.41 C ATOM 862 CD PRO A 55 7.149 -4.316 2.167 1.00 23.34 C ATOM 0 HA PRO A 55 5.605 -2.143 4.044 1.00 65.31 H new ATOM 0 HB2 PRO A 55 5.560 -1.521 1.337 1.00 2.20 H new ATOM 0 HB3 PRO A 55 7.055 -1.442 2.248 1.00 2.20 H new ATOM 0 HG2 PRO A 55 6.047 -3.638 0.450 1.00 74.41 H new ATOM 0 HG3 PRO A 55 7.663 -2.970 0.572 1.00 74.41 H new ATOM 0 HD2 PRO A 55 6.997 -5.321 1.773 1.00 23.34 H new ATOM 0 HD3 PRO A 55 8.195 -4.246 2.466 1.00 23.34 H new ATOM 870 N LYS A 56 3.736 -3.861 1.982 1.00 4.13 N ATOM 871 CA LYS A 56 2.347 -4.127 1.628 1.00 1.45 C ATOM 872 C LYS A 56 1.563 -4.624 2.839 1.00 51.24 C ATOM 873 O LYS A 56 0.332 -4.622 2.836 1.00 72.02 O ATOM 874 CB LYS A 56 2.275 -5.159 0.501 1.00 31.23 C ATOM 875 CG LYS A 56 2.573 -4.582 -0.872 1.00 22.51 C ATOM 876 CD LYS A 56 1.325 -4.005 -1.517 1.00 52.52 C ATOM 877 CE LYS A 56 0.451 -5.096 -2.116 1.00 51.34 C ATOM 878 NZ LYS A 56 1.142 -5.816 -3.221 1.00 44.34 N ATOM 0 H LYS A 56 4.414 -4.455 1.504 1.00 4.13 H new ATOM 0 HA LYS A 56 1.900 -3.194 1.286 1.00 1.45 H new ATOM 0 HB2 LYS A 56 2.982 -5.962 0.710 1.00 31.23 H new ATOM 0 HB3 LYS A 56 1.280 -5.604 0.491 1.00 31.23 H new ATOM 0 HG2 LYS A 56 3.331 -3.804 -0.784 1.00 22.51 H new ATOM 0 HG3 LYS A 56 2.988 -5.360 -1.512 1.00 22.51 H new ATOM 0 HD2 LYS A 56 0.755 -3.448 -0.774 1.00 52.52 H new ATOM 0 HD3 LYS A 56 1.611 -3.298 -2.296 1.00 52.52 H new ATOM 0 HE2 LYS A 56 0.173 -5.807 -1.338 1.00 51.34 H new ATOM 0 HE3 LYS A 56 -0.473 -4.656 -2.491 1.00 51.34 H new ATOM 0 HZ1 LYS A 56 0.435 -6.255 -3.845 1.00 44.34 H new ATOM 0 HZ2 LYS A 56 1.717 -5.143 -3.768 1.00 44.34 H new ATOM 0 HZ3 LYS A 56 1.758 -6.554 -2.823 1.00 44.34 H new ATOM 892 N ASP A 57 2.283 -5.047 3.871 1.00 23.33 N ATOM 893 CA ASP A 57 1.655 -5.545 5.089 1.00 14.24 C ATOM 894 C ASP A 57 1.402 -4.407 6.074 1.00 23.52 C ATOM 895 O ASP A 57 0.458 -4.454 6.863 1.00 74.53 O ATOM 896 CB ASP A 57 2.532 -6.615 5.741 1.00 72.10 C ATOM 897 CG ASP A 57 2.198 -8.012 5.255 1.00 10.21 C ATOM 898 OD1 ASP A 57 1.017 -8.263 4.935 1.00 11.24 O ATOM 899 OD2 ASP A 57 3.118 -8.854 5.194 1.00 50.34 O ATOM 0 H ASP A 57 3.303 -5.055 3.889 1.00 23.33 H new ATOM 0 HA ASP A 57 0.696 -5.988 4.819 1.00 14.24 H new ATOM 0 HB2 ASP A 57 3.580 -6.401 5.529 1.00 72.10 H new ATOM 0 HB3 ASP A 57 2.410 -6.571 6.823 1.00 72.10 H new ATOM 904 N ILE A 58 2.253 -3.388 6.024 1.00 61.24 N ATOM 905 CA ILE A 58 2.122 -2.239 6.911 1.00 32.41 C ATOM 906 C ILE A 58 1.361 -1.105 6.233 1.00 10.02 C ATOM 907 O ILE A 58 1.593 -0.800 5.063 1.00 1.43 O ATOM 908 CB ILE A 58 3.498 -1.719 7.366 1.00 22.42 C ATOM 909 CG1 ILE A 58 4.389 -1.441 6.154 1.00 53.44 C ATOM 910 CG2 ILE A 58 4.162 -2.722 8.298 1.00 33.30 C ATOM 911 CD1 ILE A 58 5.693 -0.759 6.505 1.00 35.03 C ATOM 0 H ILE A 58 3.041 -3.335 5.378 1.00 61.24 H new ATOM 0 HA ILE A 58 1.564 -2.577 7.784 1.00 32.41 H new ATOM 0 HB ILE A 58 3.355 -0.786 7.910 1.00 22.42 H new ATOM 0 HG12 ILE A 58 4.605 -2.382 5.649 1.00 53.44 H new ATOM 0 HG13 ILE A 58 3.842 -0.818 5.446 1.00 53.44 H new ATOM 0 HG21 ILE A 58 5.134 -2.340 8.611 1.00 33.30 H new ATOM 0 HG22 ILE A 58 3.533 -2.876 9.175 1.00 33.30 H new ATOM 0 HG23 ILE A 58 4.296 -3.670 7.777 1.00 33.30 H new ATOM 0 HD11 ILE A 58 6.273 -0.593 5.597 1.00 35.03 H new ATOM 0 HD12 ILE A 58 5.486 0.199 6.983 1.00 35.03 H new ATOM 0 HD13 ILE A 58 6.261 -1.390 7.188 1.00 35.03 H new ATOM 923 N PHE A 59 0.452 -0.482 6.976 1.00 23.35 N ATOM 924 CA PHE A 59 -0.343 0.620 6.448 1.00 62.12 C ATOM 925 C PHE A 59 -0.109 1.894 7.254 1.00 54.54 C ATOM 926 O PHE A 59 0.382 1.864 8.382 1.00 11.42 O ATOM 927 CB PHE A 59 -1.829 0.258 6.464 1.00 74.01 C ATOM 928 CG PHE A 59 -2.328 -0.286 5.156 1.00 52.34 C ATOM 929 CD1 PHE A 59 -1.920 -1.531 4.707 1.00 65.12 C ATOM 930 CD2 PHE A 59 -3.205 0.449 4.374 1.00 15.24 C ATOM 931 CE1 PHE A 59 -2.377 -2.035 3.503 1.00 1.55 C ATOM 932 CE2 PHE A 59 -3.667 -0.049 3.171 1.00 64.24 C ATOM 933 CZ PHE A 59 -3.251 -1.292 2.734 1.00 42.10 C ATOM 0 H PHE A 59 0.248 -0.722 7.946 1.00 23.35 H new ATOM 0 HA PHE A 59 -0.031 0.800 5.419 1.00 62.12 H new ATOM 0 HB2 PHE A 59 -2.007 -0.480 7.247 1.00 74.01 H new ATOM 0 HB3 PHE A 59 -2.408 1.144 6.724 1.00 74.01 H new ATOM 0 HD1 PHE A 59 -1.236 -2.116 5.305 1.00 65.12 H new ATOM 0 HD2 PHE A 59 -3.531 1.423 4.709 1.00 15.24 H new ATOM 0 HE1 PHE A 59 -2.051 -3.008 3.165 1.00 1.55 H new ATOM 0 HE2 PHE A 59 -4.353 0.533 2.573 1.00 64.24 H new ATOM 0 HZ PHE A 59 -3.609 -1.682 1.793 1.00 42.10 H new ATOM 943 N PRO A 60 -0.469 3.043 6.661 1.00 32.31 N ATOM 944 CA PRO A 60 -0.309 4.350 7.305 1.00 63.11 C ATOM 945 C PRO A 60 -1.266 4.541 8.476 1.00 21.54 C ATOM 946 O PRO A 60 -2.464 4.282 8.360 1.00 11.20 O ATOM 947 CB PRO A 60 -0.633 5.340 6.183 1.00 24.12 C ATOM 948 CG PRO A 60 -1.520 4.584 5.255 1.00 23.03 C ATOM 949 CD PRO A 60 -1.061 3.153 5.317 1.00 1.32 C ATOM 0 HA PRO A 60 0.687 4.476 7.729 1.00 63.11 H new ATOM 0 HB2 PRO A 60 -1.131 6.229 6.571 1.00 24.12 H new ATOM 0 HB3 PRO A 60 0.273 5.677 5.679 1.00 24.12 H new ATOM 0 HG2 PRO A 60 -2.564 4.672 5.555 1.00 23.03 H new ATOM 0 HG3 PRO A 60 -1.446 4.974 4.240 1.00 23.03 H new ATOM 0 HD2 PRO A 60 -1.891 2.459 5.185 1.00 1.32 H new ATOM 0 HD3 PRO A 60 -0.332 2.930 4.537 1.00 1.32 H new ATOM 957 N TYR A 61 -0.730 4.994 9.604 1.00 12.21 N ATOM 958 CA TYR A 61 -1.537 5.218 10.798 1.00 71.42 C ATOM 959 C TYR A 61 -2.564 6.321 10.562 1.00 34.34 C ATOM 960 O TYR A 61 -3.514 6.475 11.331 1.00 64.21 O ATOM 961 CB TYR A 61 -0.642 5.583 11.983 1.00 41.51 C ATOM 962 CG TYR A 61 -0.560 7.071 12.243 1.00 21.44 C ATOM 963 CD1 TYR A 61 0.202 7.898 11.428 1.00 70.02 C ATOM 964 CD2 TYR A 61 -1.245 7.648 13.305 1.00 14.40 C ATOM 965 CE1 TYR A 61 0.280 9.257 11.663 1.00 62.02 C ATOM 966 CE2 TYR A 61 -1.174 9.007 13.547 1.00 72.23 C ATOM 967 CZ TYR A 61 -0.410 9.807 12.723 1.00 23.31 C ATOM 968 OH TYR A 61 -0.335 11.160 12.960 1.00 55.24 O ATOM 0 H TYR A 61 0.260 5.213 9.717 1.00 12.21 H new ATOM 0 HA TYR A 61 -2.069 4.294 11.025 1.00 71.42 H new ATOM 0 HB2 TYR A 61 -1.017 5.086 12.878 1.00 41.51 H new ATOM 0 HB3 TYR A 61 0.362 5.198 11.802 1.00 41.51 H new ATOM 0 HD1 TYR A 61 0.743 7.471 10.596 1.00 70.02 H new ATOM 0 HD2 TYR A 61 -1.843 7.024 13.953 1.00 14.40 H new ATOM 0 HE1 TYR A 61 0.878 9.886 11.020 1.00 62.02 H new ATOM 0 HE2 TYR A 61 -1.714 9.440 14.376 1.00 72.23 H new ATOM 0 HH TYR A 61 -0.031 11.315 13.879 1.00 55.24 H new ATOM 978 N SER A 62 -2.367 7.086 9.493 1.00 32.35 N ATOM 979 CA SER A 62 -3.274 8.177 9.157 1.00 44.22 C ATOM 980 C SER A 62 -4.637 7.640 8.733 1.00 70.25 C ATOM 981 O SER A 62 -5.631 8.366 8.738 1.00 64.41 O ATOM 982 CB SER A 62 -2.680 9.034 8.037 1.00 1.54 C ATOM 983 OG SER A 62 -3.121 8.590 6.766 1.00 11.31 O ATOM 0 H SER A 62 -1.588 6.970 8.845 1.00 32.35 H new ATOM 0 HA SER A 62 -3.407 8.793 10.046 1.00 44.22 H new ATOM 0 HB2 SER A 62 -2.967 10.076 8.181 1.00 1.54 H new ATOM 0 HB3 SER A 62 -1.592 8.994 8.082 1.00 1.54 H new ATOM 0 HG SER A 62 -2.729 9.155 6.068 1.00 11.31 H new ATOM 989 N GLU A 63 -4.675 6.363 8.365 1.00 24.43 N ATOM 990 CA GLU A 63 -5.916 5.728 7.937 1.00 24.22 C ATOM 991 C GLU A 63 -6.574 4.983 9.095 1.00 3.43 C ATOM 992 O GLU A 63 -7.799 4.927 9.195 1.00 44.42 O ATOM 993 CB GLU A 63 -5.648 4.761 6.782 1.00 43.23 C ATOM 994 CG GLU A 63 -5.404 5.455 5.452 1.00 74.31 C ATOM 995 CD GLU A 63 -6.662 6.084 4.883 1.00 25.14 C ATOM 996 OE1 GLU A 63 -7.688 5.380 4.791 1.00 75.30 O ATOM 997 OE2 GLU A 63 -6.618 7.281 4.531 1.00 3.31 O ATOM 0 H GLU A 63 -3.861 5.748 8.355 1.00 24.43 H new ATOM 0 HA GLU A 63 -6.595 6.510 7.597 1.00 24.22 H new ATOM 0 HB2 GLU A 63 -4.781 4.147 7.027 1.00 43.23 H new ATOM 0 HB3 GLU A 63 -6.498 4.086 6.680 1.00 43.23 H new ATOM 0 HG2 GLU A 63 -4.644 6.225 5.582 1.00 74.31 H new ATOM 0 HG3 GLU A 63 -5.008 4.734 4.737 1.00 74.31 H new ATOM 1004 N ASN A 64 -5.750 4.413 9.968 1.00 30.54 N ATOM 1005 CA ASN A 64 -6.251 3.670 11.119 1.00 12.23 C ATOM 1006 C ASN A 64 -6.651 4.618 12.246 1.00 5.11 C ATOM 1007 O ASN A 64 -7.680 4.431 12.895 1.00 70.31 O ATOM 1008 CB ASN A 64 -5.192 2.685 11.618 1.00 42.22 C ATOM 1009 CG ASN A 64 -4.807 1.667 10.562 1.00 62.00 C ATOM 1010 OD1 ASN A 64 -3.851 1.866 9.811 1.00 33.55 O ATOM 1011 ND2 ASN A 64 -5.551 0.569 10.500 1.00 54.25 N ATOM 0 H ASN A 64 -4.733 4.451 9.901 1.00 30.54 H new ATOM 0 HA ASN A 64 -7.134 3.114 10.804 1.00 12.23 H new ATOM 0 HB2 ASN A 64 -4.304 3.236 11.928 1.00 42.22 H new ATOM 0 HB3 ASN A 64 -5.569 2.166 12.499 1.00 42.22 H new ATOM 0 HD21 ASN A 64 -5.340 -0.152 9.810 1.00 54.25 H new ATOM 0 HD22 ASN A 64 -6.334 0.446 11.142 1.00 54.25 H new ATOM 1018 N LYS A 65 -5.829 5.637 12.473 1.00 11.43 N ATOM 1019 CA LYS A 65 -6.096 6.617 13.520 1.00 42.12 C ATOM 1020 C LYS A 65 -7.462 7.267 13.322 1.00 63.51 C ATOM 1021 O LYS A 65 -8.067 7.761 14.272 1.00 3.23 O ATOM 1022 CB LYS A 65 -5.006 7.691 13.532 1.00 65.04 C ATOM 1023 CG LYS A 65 -5.144 8.710 12.414 1.00 0.52 C ATOM 1024 CD LYS A 65 -4.135 9.837 12.559 1.00 2.11 C ATOM 1025 CE LYS A 65 -4.802 11.200 12.457 1.00 34.04 C ATOM 1026 NZ LYS A 65 -5.138 11.755 13.798 1.00 24.21 N ATOM 0 H LYS A 65 -4.972 5.806 11.946 1.00 11.43 H new ATOM 0 HA LYS A 65 -6.096 6.097 14.478 1.00 42.12 H new ATOM 0 HB2 LYS A 65 -5.030 8.210 14.490 1.00 65.04 H new ATOM 0 HB3 LYS A 65 -4.032 7.209 13.455 1.00 65.04 H new ATOM 0 HG2 LYS A 65 -5.004 8.217 11.452 1.00 0.52 H new ATOM 0 HG3 LYS A 65 -6.153 9.121 12.418 1.00 0.52 H new ATOM 0 HD2 LYS A 65 -3.627 9.750 13.520 1.00 2.11 H new ATOM 0 HD3 LYS A 65 -3.372 9.745 11.786 1.00 2.11 H new ATOM 0 HE2 LYS A 65 -4.140 11.890 11.934 1.00 34.04 H new ATOM 0 HE3 LYS A 65 -5.711 11.116 11.861 1.00 34.04 H new ATOM 0 HZ1 LYS A 65 -5.591 12.684 13.686 1.00 24.21 H new ATOM 0 HZ2 LYS A 65 -5.790 11.109 14.288 1.00 24.21 H new ATOM 0 HZ3 LYS A 65 -4.268 11.859 14.358 1.00 24.21 H new ATOM 1040 N GLU A 66 -7.941 7.260 12.082 1.00 33.50 N ATOM 1041 CA GLU A 66 -9.236 7.848 11.761 1.00 34.24 C ATOM 1042 C GLU A 66 -10.357 6.829 11.944 1.00 33.43 C ATOM 1043 O GLU A 66 -11.529 7.190 12.056 1.00 1.00 O ATOM 1044 CB GLU A 66 -9.241 8.374 10.325 1.00 44.53 C ATOM 1045 CG GLU A 66 -10.578 8.952 9.892 1.00 61.41 C ATOM 1046 CD GLU A 66 -10.504 9.651 8.548 1.00 32.33 C ATOM 1047 OE1 GLU A 66 -10.676 8.971 7.515 1.00 3.01 O ATOM 1048 OE2 GLU A 66 -10.275 10.878 8.531 1.00 50.32 O ATOM 0 H GLU A 66 -7.452 6.854 11.284 1.00 33.50 H new ATOM 0 HA GLU A 66 -9.408 8.679 12.445 1.00 34.24 H new ATOM 0 HB2 GLU A 66 -8.474 9.142 10.226 1.00 44.53 H new ATOM 0 HB3 GLU A 66 -8.970 7.563 9.649 1.00 44.53 H new ATOM 0 HG2 GLU A 66 -11.316 8.152 9.841 1.00 61.41 H new ATOM 0 HG3 GLU A 66 -10.926 9.658 10.646 1.00 61.41 H new ATOM 1055 N LYS A 67 -9.989 5.552 11.973 1.00 12.24 N ATOM 1056 CA LYS A 67 -10.961 4.479 12.143 1.00 33.22 C ATOM 1057 C LYS A 67 -11.433 4.396 13.591 1.00 21.05 C ATOM 1058 O LYS A 67 -12.617 4.571 13.880 1.00 71.43 O ATOM 1059 CB LYS A 67 -10.354 3.141 11.716 1.00 21.42 C ATOM 1060 CG LYS A 67 -10.378 2.913 10.215 1.00 41.34 C ATOM 1061 CD LYS A 67 -11.552 2.042 9.801 1.00 12.21 C ATOM 1062 CE LYS A 67 -12.878 2.759 10.008 1.00 62.13 C ATOM 1063 NZ LYS A 67 -13.016 3.939 9.111 1.00 43.54 N ATOM 0 H LYS A 67 -9.024 5.235 11.881 1.00 12.24 H new ATOM 0 HA LYS A 67 -11.822 4.699 11.511 1.00 33.22 H new ATOM 0 HB2 LYS A 67 -9.323 3.091 12.066 1.00 21.42 H new ATOM 0 HB3 LYS A 67 -10.896 2.333 12.206 1.00 21.42 H new ATOM 0 HG2 LYS A 67 -10.437 3.873 9.701 1.00 41.34 H new ATOM 0 HG3 LYS A 67 -9.446 2.441 9.903 1.00 41.34 H new ATOM 0 HD2 LYS A 67 -11.448 1.763 8.752 1.00 12.21 H new ATOM 0 HD3 LYS A 67 -11.543 1.118 10.379 1.00 12.21 H new ATOM 0 HE2 LYS A 67 -13.698 2.065 9.824 1.00 62.13 H new ATOM 0 HE3 LYS A 67 -12.959 3.081 11.046 1.00 62.13 H new ATOM 0 HZ1 LYS A 67 -13.030 4.809 9.681 1.00 43.54 H new ATOM 0 HZ2 LYS A 67 -12.212 3.970 8.452 1.00 43.54 H new ATOM 0 HZ3 LYS A 67 -13.903 3.864 8.573 1.00 43.54 H new ATOM 1077 N TYR A 68 -10.499 4.130 14.498 1.00 15.24 N ATOM 1078 CA TYR A 68 -10.820 4.024 15.917 1.00 73.43 C ATOM 1079 C TYR A 68 -9.852 4.849 16.758 1.00 43.31 C ATOM 1080 O TYR A 68 -10.173 5.259 17.872 1.00 11.05 O ATOM 1081 CB TYR A 68 -10.780 2.561 16.362 1.00 72.44 C ATOM 1082 CG TYR A 68 -10.953 1.577 15.226 1.00 52.40 C ATOM 1083 CD1 TYR A 68 -12.218 1.174 14.817 1.00 31.50 C ATOM 1084 CD2 TYR A 68 -9.851 1.053 14.561 1.00 14.22 C ATOM 1085 CE1 TYR A 68 -12.381 0.275 13.781 1.00 64.14 C ATOM 1086 CE2 TYR A 68 -10.004 0.155 13.523 1.00 55.24 C ATOM 1087 CZ TYR A 68 -11.271 -0.231 13.136 1.00 21.24 C ATOM 1088 OH TYR A 68 -11.429 -1.125 12.102 1.00 23.54 O ATOM 0 H TYR A 68 -9.514 3.984 14.276 1.00 15.24 H new ATOM 0 HA TYR A 68 -11.826 4.415 16.066 1.00 73.43 H new ATOM 0 HB2 TYR A 68 -9.829 2.367 16.858 1.00 72.44 H new ATOM 0 HB3 TYR A 68 -11.565 2.393 17.100 1.00 72.44 H new ATOM 0 HD1 TYR A 68 -13.089 1.570 15.318 1.00 31.50 H new ATOM 0 HD2 TYR A 68 -8.858 1.353 14.861 1.00 14.22 H new ATOM 0 HE1 TYR A 68 -13.372 -0.030 13.478 1.00 64.14 H new ATOM 0 HE2 TYR A 68 -9.137 -0.243 13.017 1.00 55.24 H new ATOM 0 HH TYR A 68 -10.549 -1.383 11.756 1.00 23.54 H new ATOM 1098 N GLY A 69 -8.663 5.090 16.214 1.00 45.21 N ATOM 1099 CA GLY A 69 -7.664 5.866 16.926 1.00 13.24 C ATOM 1100 C GLY A 69 -7.007 5.080 18.043 1.00 62.51 C ATOM 1101 O GLY A 69 -5.962 5.475 18.560 1.00 41.21 O ATOM 0 H GLY A 69 -8.374 4.762 15.293 1.00 45.21 H new ATOM 0 HA2 GLY A 69 -6.900 6.201 16.224 1.00 13.24 H new ATOM 0 HA3 GLY A 69 -8.130 6.760 17.340 1.00 13.24 H new ATOM 1105 N LYS A 70 -7.620 3.962 18.418 1.00 53.20 N ATOM 1106 CA LYS A 70 -7.089 3.117 19.481 1.00 53.01 C ATOM 1107 C LYS A 70 -7.465 1.656 19.253 1.00 3.22 C ATOM 1108 O LYS A 70 -8.389 1.337 18.505 1.00 43.13 O ATOM 1109 CB LYS A 70 -7.613 3.583 20.841 1.00 12.31 C ATOM 1110 CG LYS A 70 -9.018 4.158 20.787 1.00 33.33 C ATOM 1111 CD LYS A 70 -8.997 5.673 20.678 1.00 14.11 C ATOM 1112 CE LYS A 70 -10.285 6.288 21.206 1.00 24.32 C ATOM 1113 NZ LYS A 70 -11.285 6.497 20.123 1.00 64.02 N ATOM 0 H LYS A 70 -8.486 3.620 18.001 1.00 53.20 H new ATOM 0 HA LYS A 70 -6.002 3.201 19.469 1.00 53.01 H new ATOM 0 HB2 LYS A 70 -7.600 2.741 21.534 1.00 12.31 H new ATOM 0 HB3 LYS A 70 -6.936 4.337 21.243 1.00 12.31 H new ATOM 0 HG2 LYS A 70 -9.551 3.738 19.934 1.00 33.33 H new ATOM 0 HG3 LYS A 70 -9.567 3.864 21.682 1.00 33.33 H new ATOM 0 HD2 LYS A 70 -8.148 6.067 21.237 1.00 14.11 H new ATOM 0 HD3 LYS A 70 -8.855 5.962 19.637 1.00 14.11 H new ATOM 0 HE2 LYS A 70 -10.710 5.639 21.972 1.00 24.32 H new ATOM 0 HE3 LYS A 70 -10.063 7.242 21.684 1.00 24.32 H new ATOM 0 HZ1 LYS A 70 -11.418 7.516 19.966 1.00 64.02 H new ATOM 0 HZ2 LYS A 70 -10.945 6.053 19.246 1.00 64.02 H new ATOM 0 HZ3 LYS A 70 -12.191 6.068 20.400 1.00 64.02 H new ATOM 1127 N PRO A 71 -6.734 0.746 19.914 1.00 4.53 N ATOM 1128 CA PRO A 71 -6.973 -0.695 19.801 1.00 32.33 C ATOM 1129 C PRO A 71 -8.279 -1.120 20.464 1.00 54.40 C ATOM 1130 O PRO A 71 -8.677 -0.563 21.487 1.00 63.04 O ATOM 1131 CB PRO A 71 -5.778 -1.312 20.532 1.00 1.21 C ATOM 1132 CG PRO A 71 -5.339 -0.262 21.493 1.00 1.24 C ATOM 1133 CD PRO A 71 -5.617 1.055 20.823 1.00 11.44 C ATOM 0 HA PRO A 71 -7.065 -1.012 18.762 1.00 32.33 H new ATOM 0 HB2 PRO A 71 -6.061 -2.229 21.049 1.00 1.21 H new ATOM 0 HB3 PRO A 71 -4.979 -1.571 19.837 1.00 1.21 H new ATOM 0 HG2 PRO A 71 -5.882 -0.343 22.435 1.00 1.24 H new ATOM 0 HG3 PRO A 71 -4.279 -0.365 21.726 1.00 1.24 H new ATOM 0 HD2 PRO A 71 -5.888 1.824 21.546 1.00 11.44 H new ATOM 0 HD3 PRO A 71 -4.746 1.421 20.279 1.00 11.44 H new ATOM 1141 N ASN A 72 -8.943 -2.109 19.874 1.00 24.04 N ATOM 1142 CA ASN A 72 -10.205 -2.608 20.408 1.00 2.23 C ATOM 1143 C ASN A 72 -9.981 -3.857 21.255 1.00 34.02 C ATOM 1144 O ASN A 72 -10.343 -3.896 22.432 1.00 64.24 O ATOM 1145 CB ASN A 72 -11.178 -2.918 19.269 1.00 45.12 C ATOM 1146 CG ASN A 72 -12.625 -2.885 19.719 1.00 12.43 C ATOM 1147 OD1 ASN A 72 -12.928 -2.488 20.845 1.00 43.12 O ATOM 1148 ND2 ASN A 72 -13.528 -3.303 18.840 1.00 51.42 N ATOM 0 H ASN A 72 -8.628 -2.580 19.026 1.00 24.04 H new ATOM 0 HA ASN A 72 -10.634 -1.833 21.042 1.00 2.23 H new ATOM 0 HB2 ASN A 72 -11.034 -2.196 18.465 1.00 45.12 H new ATOM 0 HB3 ASN A 72 -10.951 -3.902 18.858 1.00 45.12 H new ATOM 0 HD21 ASN A 72 -14.518 -3.304 19.087 1.00 51.42 H new ATOM 0 HD22 ASN A 72 -13.232 -3.624 17.918 1.00 51.42 H new ATOM 1155 N LYS A 73 -9.383 -4.877 20.649 1.00 3.32 N ATOM 1156 CA LYS A 73 -9.108 -6.128 21.346 1.00 14.43 C ATOM 1157 C LYS A 73 -7.611 -6.416 21.377 1.00 61.43 C ATOM 1158 O LYS A 73 -7.192 -7.574 21.351 1.00 41.31 O ATOM 1159 CB LYS A 73 -9.848 -7.285 20.671 1.00 51.41 C ATOM 1160 CG LYS A 73 -10.208 -8.414 21.621 1.00 3.20 C ATOM 1161 CD LYS A 73 -11.152 -9.410 20.971 1.00 75.35 C ATOM 1162 CE LYS A 73 -10.412 -10.347 20.029 1.00 70.43 C ATOM 1163 NZ LYS A 73 -11.320 -10.937 19.006 1.00 43.11 N ATOM 0 H LYS A 73 -9.079 -4.862 19.675 1.00 3.32 H new ATOM 0 HA LYS A 73 -9.462 -6.029 22.372 1.00 14.43 H new ATOM 0 HB2 LYS A 73 -10.760 -6.903 20.212 1.00 51.41 H new ATOM 0 HB3 LYS A 73 -9.228 -7.682 19.867 1.00 51.41 H new ATOM 0 HG2 LYS A 73 -9.300 -8.926 21.939 1.00 3.20 H new ATOM 0 HG3 LYS A 73 -10.673 -8.002 22.517 1.00 3.20 H new ATOM 0 HD2 LYS A 73 -11.656 -9.992 21.743 1.00 75.35 H new ATOM 0 HD3 LYS A 73 -11.925 -8.874 20.420 1.00 75.35 H new ATOM 0 HE2 LYS A 73 -9.610 -9.802 19.531 1.00 70.43 H new ATOM 0 HE3 LYS A 73 -9.945 -11.146 20.605 1.00 70.43 H new ATOM 0 HZ1 LYS A 73 -10.777 -11.569 18.384 1.00 43.11 H new ATOM 0 HZ2 LYS A 73 -12.071 -11.478 19.479 1.00 43.11 H new ATOM 0 HZ3 LYS A 73 -11.746 -10.176 18.440 1.00 43.11 H new ATOM 1177 N ARG A 74 -6.810 -5.358 21.433 1.00 3.40 N ATOM 1178 CA ARG A 74 -5.359 -5.498 21.467 1.00 20.33 C ATOM 1179 C ARG A 74 -4.790 -4.950 22.773 1.00 34.51 C ATOM 1180 O ARG A 74 -5.012 -3.791 23.121 1.00 12.45 O ATOM 1181 CB ARG A 74 -4.727 -4.772 20.279 1.00 44.12 C ATOM 1182 CG ARG A 74 -4.909 -5.496 18.955 1.00 75.00 C ATOM 1183 CD ARG A 74 -4.110 -6.789 18.912 1.00 45.51 C ATOM 1184 NE ARG A 74 -3.225 -6.846 17.751 1.00 31.41 N ATOM 1185 CZ ARG A 74 -2.036 -6.257 17.703 1.00 24.24 C ATOM 1186 NH1 ARG A 74 -1.590 -5.570 18.746 1.00 13.20 N ATOM 1187 NH2 ARG A 74 -1.289 -6.355 16.611 1.00 25.31 N ATOM 0 H ARG A 74 -7.141 -4.393 21.456 1.00 3.40 H new ATOM 0 HA ARG A 74 -5.120 -6.560 21.404 1.00 20.33 H new ATOM 0 HB2 ARG A 74 -5.161 -3.775 20.201 1.00 44.12 H new ATOM 0 HB3 ARG A 74 -3.662 -4.642 20.469 1.00 44.12 H new ATOM 0 HG2 ARG A 74 -5.966 -5.715 18.801 1.00 75.00 H new ATOM 0 HG3 ARG A 74 -4.596 -4.846 18.138 1.00 75.00 H new ATOM 0 HD2 ARG A 74 -3.519 -6.881 19.823 1.00 45.51 H new ATOM 0 HD3 ARG A 74 -4.794 -7.637 18.889 1.00 45.51 H new ATOM 0 HE ARG A 74 -3.538 -7.367 16.932 1.00 31.41 H new ATOM 0 HH11 ARG A 74 -2.161 -5.493 19.588 1.00 13.20 H new ATOM 0 HH12 ARG A 74 -0.676 -5.119 18.706 1.00 13.20 H new ATOM 0 HH21 ARG A 74 -1.628 -6.883 15.807 1.00 25.31 H new ATOM 0 HH22 ARG A 74 -0.376 -5.902 16.575 1.00 25.31 H new ATOM 1201 N LYS A 75 -4.056 -5.793 23.492 1.00 14.22 N ATOM 1202 CA LYS A 75 -3.455 -5.395 24.759 1.00 3.52 C ATOM 1203 C LYS A 75 -2.497 -4.224 24.562 1.00 1.25 C ATOM 1204 O LYS A 75 -1.840 -4.114 23.528 1.00 2.22 O ATOM 1205 CB LYS A 75 -2.711 -6.575 25.388 1.00 74.31 C ATOM 1206 CG LYS A 75 -2.085 -6.253 26.733 1.00 5.32 C ATOM 1207 CD LYS A 75 -3.141 -5.945 27.781 1.00 1.51 C ATOM 1208 CE LYS A 75 -2.516 -5.421 29.065 1.00 12.21 C ATOM 1209 NZ LYS A 75 -3.546 -4.935 30.025 1.00 41.11 N ATOM 0 H LYS A 75 -3.863 -6.756 23.218 1.00 14.22 H new ATOM 0 HA LYS A 75 -4.255 -5.080 25.429 1.00 3.52 H new ATOM 0 HB2 LYS A 75 -3.404 -7.407 25.509 1.00 74.31 H new ATOM 0 HB3 LYS A 75 -1.930 -6.908 24.704 1.00 74.31 H new ATOM 0 HG2 LYS A 75 -1.478 -7.096 27.064 1.00 5.32 H new ATOM 0 HG3 LYS A 75 -1.415 -5.399 26.628 1.00 5.32 H new ATOM 0 HD2 LYS A 75 -3.841 -5.207 27.388 1.00 1.51 H new ATOM 0 HD3 LYS A 75 -3.715 -6.846 27.996 1.00 1.51 H new ATOM 0 HE2 LYS A 75 -1.929 -6.212 29.532 1.00 12.21 H new ATOM 0 HE3 LYS A 75 -1.828 -4.609 28.829 1.00 12.21 H new ATOM 0 HZ1 LYS A 75 -3.080 -4.586 30.887 1.00 41.11 H new ATOM 0 HZ2 LYS A 75 -4.090 -4.163 29.589 1.00 41.11 H new ATOM 0 HZ3 LYS A 75 -4.188 -5.716 30.270 1.00 41.11 H new ATOM 1223 N GLY A 76 -2.422 -3.352 25.563 1.00 2.53 N ATOM 1224 CA GLY A 76 -1.541 -2.202 25.480 1.00 4.54 C ATOM 1225 C GLY A 76 -2.296 -0.908 25.251 1.00 1.50 C ATOM 1226 O GLY A 76 -1.694 0.163 25.157 1.00 75.42 O ATOM 0 H GLY A 76 -2.956 -3.422 26.430 1.00 2.53 H new ATOM 0 HA2 GLY A 76 -0.963 -2.124 26.401 1.00 4.54 H new ATOM 0 HA3 GLY A 76 -0.829 -2.352 24.669 1.00 4.54 H new ATOM 1230 N PHE A 77 -3.618 -1.004 25.159 1.00 31.41 N ATOM 1231 CA PHE A 77 -4.457 0.168 24.936 1.00 21.53 C ATOM 1232 C PHE A 77 -4.167 1.249 25.973 1.00 43.01 C ATOM 1233 O PHE A 77 -4.083 0.971 27.168 1.00 11.24 O ATOM 1234 CB PHE A 77 -5.936 -0.220 24.988 1.00 71.42 C ATOM 1235 CG PHE A 77 -6.382 -0.707 26.337 1.00 25.11 C ATOM 1236 CD1 PHE A 77 -6.858 0.183 27.287 1.00 63.34 C ATOM 1237 CD2 PHE A 77 -6.325 -2.054 26.656 1.00 63.21 C ATOM 1238 CE1 PHE A 77 -7.267 -0.262 28.529 1.00 34.42 C ATOM 1239 CE2 PHE A 77 -6.733 -2.505 27.897 1.00 75.31 C ATOM 1240 CZ PHE A 77 -7.206 -1.608 28.834 1.00 35.23 C ATOM 0 H PHE A 77 -4.132 -1.882 25.235 1.00 31.41 H new ATOM 0 HA PHE A 77 -4.227 0.566 23.948 1.00 21.53 H new ATOM 0 HB2 PHE A 77 -6.540 0.642 24.704 1.00 71.42 H new ATOM 0 HB3 PHE A 77 -6.125 -0.999 24.249 1.00 71.42 H new ATOM 0 HD1 PHE A 77 -6.910 1.236 27.053 1.00 63.34 H new ATOM 0 HD2 PHE A 77 -5.957 -2.760 25.926 1.00 63.21 H new ATOM 0 HE1 PHE A 77 -7.634 0.442 29.261 1.00 34.42 H new ATOM 0 HE2 PHE A 77 -6.682 -3.558 28.134 1.00 75.31 H new ATOM 0 HZ PHE A 77 -7.528 -1.958 29.804 1.00 35.23 H new ATOM 1250 N ASN A 78 -4.014 2.483 25.505 1.00 43.45 N ATOM 1251 CA ASN A 78 -3.732 3.607 26.390 1.00 4.40 C ATOM 1252 C ASN A 78 -2.354 3.464 27.029 1.00 45.22 C ATOM 1253 O ASN A 78 -2.070 4.075 28.059 1.00 70.13 O ATOM 1254 CB ASN A 78 -4.803 3.708 27.478 1.00 24.52 C ATOM 1255 CG ASN A 78 -5.601 4.994 27.387 1.00 23.32 C ATOM 1256 OD1 ASN A 78 -6.830 4.971 27.325 1.00 11.43 O ATOM 1257 ND2 ASN A 78 -4.903 6.124 27.378 1.00 21.54 N ATOM 0 H ASN A 78 -4.081 2.730 24.518 1.00 43.45 H new ATOM 0 HA ASN A 78 -3.743 4.519 25.793 1.00 4.40 H new ATOM 0 HB2 ASN A 78 -5.480 2.857 27.398 1.00 24.52 H new ATOM 0 HB3 ASN A 78 -4.329 3.647 28.457 1.00 24.52 H new ATOM 0 HD21 ASN A 78 -5.385 7.021 27.318 1.00 21.54 H new ATOM 0 HD22 ASN A 78 -3.885 6.095 27.431 1.00 21.54 H new ATOM 1264 N GLU A 79 -1.501 2.653 26.409 1.00 14.52 N ATOM 1265 CA GLU A 79 -0.153 2.430 26.918 1.00 51.31 C ATOM 1266 C GLU A 79 0.892 2.786 25.864 1.00 73.40 C ATOM 1267 O GLU A 79 1.703 1.948 25.471 1.00 11.13 O ATOM 1268 CB GLU A 79 0.018 0.973 27.350 1.00 30.34 C ATOM 1269 CG GLU A 79 -1.159 0.431 28.145 1.00 41.35 C ATOM 1270 CD GLU A 79 -1.673 1.420 29.173 1.00 24.34 C ATOM 1271 OE1 GLU A 79 -0.852 2.184 29.722 1.00 5.22 O ATOM 1272 OE2 GLU A 79 -2.895 1.429 29.430 1.00 65.31 O ATOM 0 H GLU A 79 -1.720 2.140 25.555 1.00 14.52 H new ATOM 0 HA GLU A 79 -0.007 3.077 27.783 1.00 51.31 H new ATOM 0 HB2 GLU A 79 0.163 0.355 26.464 1.00 30.34 H new ATOM 0 HB3 GLU A 79 0.923 0.885 27.951 1.00 30.34 H new ATOM 0 HG2 GLU A 79 -1.967 0.172 27.460 1.00 41.35 H new ATOM 0 HG3 GLU A 79 -0.860 -0.488 28.648 1.00 41.35 H new ATOM 1279 N GLY A 80 0.864 4.035 25.409 1.00 25.14 N ATOM 1280 CA GLY A 80 1.813 4.480 24.405 1.00 72.40 C ATOM 1281 C GLY A 80 1.141 4.849 23.097 1.00 5.32 C ATOM 1282 O GLY A 80 1.813 5.115 22.099 1.00 31.02 O ATOM 0 H GLY A 80 0.201 4.746 25.718 1.00 25.14 H new ATOM 0 HA2 GLY A 80 2.361 5.342 24.784 1.00 72.40 H new ATOM 0 HA3 GLY A 80 2.544 3.691 24.225 1.00 72.40 H new ATOM 1286 N LEU A 81 -0.187 4.865 23.100 1.00 42.22 N ATOM 1287 CA LEU A 81 -0.950 5.203 21.904 1.00 53.54 C ATOM 1288 C LEU A 81 -0.902 6.704 21.633 1.00 31.20 C ATOM 1289 O LEU A 81 -0.926 7.138 20.481 1.00 24.32 O ATOM 1290 CB LEU A 81 -2.403 4.748 22.056 1.00 64.43 C ATOM 1291 CG LEU A 81 -3.360 5.176 20.943 1.00 34.43 C ATOM 1292 CD1 LEU A 81 -3.554 4.047 19.942 1.00 43.40 C ATOM 1293 CD2 LEU A 81 -4.697 5.607 21.528 1.00 55.44 C ATOM 0 H LEU A 81 -0.758 4.648 23.917 1.00 42.22 H new ATOM 0 HA LEU A 81 -0.499 4.685 21.058 1.00 53.54 H new ATOM 0 HB2 LEU A 81 -2.417 3.660 22.122 1.00 64.43 H new ATOM 0 HB3 LEU A 81 -2.785 5.129 23.003 1.00 64.43 H new ATOM 0 HG LEU A 81 -2.922 6.026 20.420 1.00 34.43 H new ATOM 0 HD11 LEU A 81 -4.238 4.370 19.157 1.00 43.40 H new ATOM 0 HD12 LEU A 81 -2.593 3.784 19.500 1.00 43.40 H new ATOM 0 HD13 LEU A 81 -3.970 3.177 20.451 1.00 43.40 H new ATOM 0 HD21 LEU A 81 -5.366 5.909 20.722 1.00 55.44 H new ATOM 0 HD22 LEU A 81 -5.140 4.775 22.075 1.00 55.44 H new ATOM 0 HD23 LEU A 81 -4.544 6.447 22.206 1.00 55.44 H new ATOM 1305 N TRP A 82 -0.832 7.490 22.701 1.00 54.10 N ATOM 1306 CA TRP A 82 -0.778 8.942 22.578 1.00 13.53 C ATOM 1307 C TRP A 82 0.638 9.410 22.261 1.00 31.41 C ATOM 1308 O TRP A 82 0.847 10.551 21.851 1.00 74.34 O ATOM 1309 CB TRP A 82 -1.269 9.602 23.868 1.00 55.42 C ATOM 1310 CG TRP A 82 -1.039 11.083 23.902 1.00 31.04 C ATOM 1311 CD1 TRP A 82 -1.884 12.055 23.448 1.00 32.21 C ATOM 1312 CD2 TRP A 82 0.113 11.759 24.417 1.00 2.13 C ATOM 1313 NE1 TRP A 82 -1.327 13.294 23.650 1.00 43.44 N ATOM 1314 CE2 TRP A 82 -0.102 13.140 24.243 1.00 0.34 C ATOM 1315 CE3 TRP A 82 1.305 11.332 25.010 1.00 15.51 C ATOM 1316 CZ2 TRP A 82 0.831 14.094 24.640 1.00 1.42 C ATOM 1317 CZ3 TRP A 82 2.230 12.281 25.403 1.00 32.31 C ATOM 1318 CH2 TRP A 82 1.989 13.649 25.218 1.00 71.43 C ATOM 0 H TRP A 82 -0.811 7.147 23.661 1.00 54.10 H new ATOM 0 HA TRP A 82 -1.430 9.236 21.756 1.00 13.53 H new ATOM 0 HB2 TRP A 82 -2.334 9.404 23.986 1.00 55.42 H new ATOM 0 HB3 TRP A 82 -0.763 9.143 24.718 1.00 55.42 H new ATOM 0 HD1 TRP A 82 -2.849 11.876 22.996 1.00 32.21 H new ATOM 0 HE1 TRP A 82 -1.756 14.185 23.399 1.00 43.44 H new ATOM 0 HE3 TRP A 82 1.499 10.280 25.158 1.00 15.51 H new ATOM 0 HZ2 TRP A 82 0.647 15.149 24.497 1.00 1.42 H new ATOM 0 HZ3 TRP A 82 3.155 11.963 25.861 1.00 32.31 H new ATOM 0 HH2 TRP A 82 2.731 14.366 25.538 1.00 71.43 H new ATOM 1329 N GLU A 83 1.607 8.520 22.454 1.00 41.32 N ATOM 1330 CA GLU A 83 3.004 8.844 22.188 1.00 12.01 C ATOM 1331 C GLU A 83 3.320 8.710 20.701 1.00 21.33 C ATOM 1332 O GLU A 83 4.290 9.286 20.208 1.00 54.53 O ATOM 1333 CB GLU A 83 3.925 7.932 23.001 1.00 3.41 C ATOM 1334 CG GLU A 83 4.142 8.403 24.429 1.00 12.44 C ATOM 1335 CD GLU A 83 4.997 7.446 25.236 1.00 31.32 C ATOM 1336 OE1 GLU A 83 5.225 6.313 24.763 1.00 20.52 O ATOM 1337 OE2 GLU A 83 5.438 7.829 26.340 1.00 74.31 O ATOM 0 H GLU A 83 1.451 7.571 22.793 1.00 41.32 H new ATOM 0 HA GLU A 83 3.174 9.879 22.486 1.00 12.01 H new ATOM 0 HB2 GLU A 83 3.503 6.927 23.019 1.00 3.41 H new ATOM 0 HB3 GLU A 83 4.890 7.864 22.499 1.00 3.41 H new ATOM 0 HG2 GLU A 83 4.616 9.385 24.416 1.00 12.44 H new ATOM 0 HG3 GLU A 83 3.176 8.522 24.919 1.00 12.44 H new ATOM 1344 N ILE A 84 2.496 7.944 19.994 1.00 52.40 N ATOM 1345 CA ILE A 84 2.687 7.734 18.564 1.00 12.53 C ATOM 1346 C ILE A 84 2.579 9.048 17.797 1.00 64.33 C ATOM 1347 O ILE A 84 3.130 9.187 16.704 1.00 33.12 O ATOM 1348 CB ILE A 84 1.658 6.737 17.999 1.00 3.13 C ATOM 1349 CG1 ILE A 84 2.110 6.226 16.629 1.00 12.35 C ATOM 1350 CG2 ILE A 84 0.287 7.389 17.902 1.00 31.50 C ATOM 1351 CD1 ILE A 84 1.128 5.272 15.986 1.00 13.45 C ATOM 0 H ILE A 84 1.690 7.459 20.388 1.00 52.40 H new ATOM 0 HA ILE A 84 3.688 7.322 18.436 1.00 12.53 H new ATOM 0 HB ILE A 84 1.587 5.887 18.677 1.00 3.13 H new ATOM 0 HG12 ILE A 84 2.265 7.077 15.966 1.00 12.35 H new ATOM 0 HG13 ILE A 84 3.073 5.726 16.736 1.00 12.35 H new ATOM 0 HG21 ILE A 84 -0.429 6.672 17.501 1.00 31.50 H new ATOM 0 HG22 ILE A 84 -0.035 7.708 18.893 1.00 31.50 H new ATOM 0 HG23 ILE A 84 0.342 8.255 17.242 1.00 31.50 H new ATOM 0 HD11 ILE A 84 1.513 4.951 15.018 1.00 13.45 H new ATOM 0 HD12 ILE A 84 0.991 4.403 16.629 1.00 13.45 H new ATOM 0 HD13 ILE A 84 0.171 5.774 15.847 1.00 13.45 H new ATOM 1363 N ASP A 85 1.869 10.009 18.376 1.00 31.14 N ATOM 1364 CA ASP A 85 1.691 11.313 17.749 1.00 45.15 C ATOM 1365 C ASP A 85 2.357 12.409 18.575 1.00 13.12 C ATOM 1366 O ASP A 85 2.220 13.595 18.276 1.00 22.44 O ATOM 1367 CB ASP A 85 0.203 11.621 17.574 1.00 25.31 C ATOM 1368 CG ASP A 85 -0.057 12.601 16.447 1.00 1.14 C ATOM 1369 OD1 ASP A 85 0.403 12.340 15.316 1.00 2.23 O ATOM 1370 OD2 ASP A 85 -0.720 13.630 16.697 1.00 60.22 O ATOM 0 H ASP A 85 1.407 9.910 19.280 1.00 31.14 H new ATOM 0 HA ASP A 85 2.165 11.284 16.768 1.00 45.15 H new ATOM 0 HB2 ASP A 85 -0.336 10.694 17.377 1.00 25.31 H new ATOM 0 HB3 ASP A 85 -0.193 12.029 18.504 1.00 25.31 H new ATOM 1375 N ASN A 86 3.076 12.004 19.617 1.00 71.32 N ATOM 1376 CA ASN A 86 3.761 12.952 20.488 1.00 30.40 C ATOM 1377 C ASN A 86 5.205 12.522 20.730 1.00 50.51 C ATOM 1378 O ASN A 86 6.142 13.173 20.270 1.00 52.44 O ATOM 1379 CB ASN A 86 3.023 13.075 21.823 1.00 63.52 C ATOM 1380 CG ASN A 86 1.737 13.868 21.701 1.00 35.23 C ATOM 1381 OD1 ASN A 86 1.689 15.050 22.041 1.00 52.24 O ATOM 1382 ND2 ASN A 86 0.685 13.218 21.215 1.00 0.44 N ATOM 0 H ASN A 86 3.199 11.026 19.879 1.00 71.32 H new ATOM 0 HA ASN A 86 3.767 13.923 19.993 1.00 30.40 H new ATOM 0 HB2 ASN A 86 2.798 12.079 22.204 1.00 63.52 H new ATOM 0 HB3 ASN A 86 3.675 13.555 22.553 1.00 63.52 H new ATOM 0 HD21 ASN A 86 -0.208 13.699 21.111 1.00 0.44 H new ATOM 0 HD22 ASN A 86 0.771 12.238 20.946 1.00 0.44 H new ATOM 1389 N ASN A 87 5.376 11.422 21.455 1.00 31.12 N ATOM 1390 CA ASN A 87 6.706 10.905 21.758 1.00 14.35 C ATOM 1391 C ASN A 87 6.937 9.562 21.073 1.00 35.24 C ATOM 1392 O ASN A 87 6.950 8.507 21.709 1.00 44.25 O ATOM 1393 CB ASN A 87 6.885 10.757 23.271 1.00 61.23 C ATOM 1394 CG ASN A 87 8.345 10.702 23.677 1.00 41.10 C ATOM 1395 OD1 ASN A 87 8.867 11.636 24.286 1.00 12.04 O ATOM 1396 ND2 ASN A 87 9.012 9.604 23.340 1.00 41.41 N ATOM 0 H ASN A 87 4.611 10.871 21.844 1.00 31.12 H new ATOM 0 HA ASN A 87 7.440 11.616 21.379 1.00 14.35 H new ATOM 0 HB2 ASN A 87 6.402 11.594 23.775 1.00 61.23 H new ATOM 0 HB3 ASN A 87 6.383 9.850 23.607 1.00 61.23 H new ATOM 0 HD21 ASN A 87 9.997 9.510 23.586 1.00 41.41 H new ATOM 0 HD22 ASN A 87 8.539 8.855 22.835 1.00 41.41 H new ATOM 1403 N PRO A 88 7.123 9.599 19.746 1.00 51.14 N ATOM 1404 CA PRO A 88 7.358 8.394 18.945 1.00 31.31 C ATOM 1405 C PRO A 88 8.724 7.774 19.218 1.00 21.21 C ATOM 1406 O PRO A 88 9.025 6.677 18.747 1.00 21.21 O ATOM 1407 CB PRO A 88 7.281 8.904 17.504 1.00 13.31 C ATOM 1408 CG PRO A 88 7.638 10.348 17.594 1.00 61.30 C ATOM 1409 CD PRO A 88 7.119 10.821 18.924 1.00 61.24 C ATOM 0 HA PRO A 88 6.638 7.608 19.172 1.00 31.31 H new ATOM 0 HB2 PRO A 88 7.972 8.365 16.856 1.00 13.31 H new ATOM 0 HB3 PRO A 88 6.282 8.768 17.089 1.00 13.31 H new ATOM 0 HG2 PRO A 88 8.717 10.488 17.524 1.00 61.30 H new ATOM 0 HG3 PRO A 88 7.189 10.913 16.777 1.00 61.30 H new ATOM 0 HD2 PRO A 88 7.756 11.595 19.352 1.00 61.24 H new ATOM 0 HD3 PRO A 88 6.118 11.244 18.837 1.00 61.24 H new ATOM 1417 N LYS A 89 9.548 8.483 19.982 1.00 23.30 N ATOM 1418 CA LYS A 89 10.883 8.002 20.320 1.00 73.00 C ATOM 1419 C LYS A 89 11.010 7.761 21.821 1.00 63.23 C ATOM 1420 O LYS A 89 11.978 8.190 22.449 1.00 42.34 O ATOM 1421 CB LYS A 89 11.941 9.009 19.863 1.00 72.43 C ATOM 1422 CG LYS A 89 11.804 10.373 20.515 1.00 10.40 C ATOM 1423 CD LYS A 89 10.927 11.300 19.690 1.00 13.22 C ATOM 1424 CE LYS A 89 11.340 12.754 19.858 1.00 50.42 C ATOM 1425 NZ LYS A 89 10.697 13.380 21.046 1.00 1.33 N ATOM 0 H LYS A 89 9.315 9.393 20.379 1.00 23.30 H new ATOM 0 HA LYS A 89 11.043 7.056 19.803 1.00 73.00 H new ATOM 0 HB2 LYS A 89 12.931 8.608 20.083 1.00 72.43 H new ATOM 0 HB3 LYS A 89 11.877 9.125 18.781 1.00 72.43 H new ATOM 0 HG2 LYS A 89 11.378 10.260 21.512 1.00 10.40 H new ATOM 0 HG3 LYS A 89 12.791 10.819 20.639 1.00 10.40 H new ATOM 0 HD2 LYS A 89 10.990 11.022 18.638 1.00 13.22 H new ATOM 0 HD3 LYS A 89 9.886 11.179 19.989 1.00 13.22 H new ATOM 0 HE2 LYS A 89 12.424 12.814 19.958 1.00 50.42 H new ATOM 0 HE3 LYS A 89 11.071 13.314 18.962 1.00 50.42 H new ATOM 0 HZ1 LYS A 89 11.004 14.370 21.125 1.00 1.33 H new ATOM 0 HZ2 LYS A 89 9.663 13.346 20.940 1.00 1.33 H new ATOM 0 HZ3 LYS A 89 10.974 12.862 21.904 1.00 1.33 H new ATOM 1439 N VAL A 90 10.028 7.070 22.390 1.00 32.22 N ATOM 1440 CA VAL A 90 10.032 6.769 23.817 1.00 52.12 C ATOM 1441 C VAL A 90 10.838 5.509 24.111 1.00 73.14 C ATOM 1442 O VAL A 90 11.255 5.275 25.245 1.00 10.42 O ATOM 1443 CB VAL A 90 8.600 6.587 24.356 1.00 5.31 C ATOM 1444 CG1 VAL A 90 7.929 5.392 23.698 1.00 64.35 C ATOM 1445 CG2 VAL A 90 8.617 6.433 25.869 1.00 4.14 C ATOM 0 H VAL A 90 9.219 6.708 21.885 1.00 32.22 H new ATOM 0 HA VAL A 90 10.496 7.618 24.318 1.00 52.12 H new ATOM 0 HB VAL A 90 8.022 7.478 24.110 1.00 5.31 H new ATOM 0 HG11 VAL A 90 6.919 5.280 24.092 1.00 64.35 H new ATOM 0 HG12 VAL A 90 7.883 5.548 22.620 1.00 64.35 H new ATOM 0 HG13 VAL A 90 8.503 4.490 23.910 1.00 64.35 H new ATOM 0 HG21 VAL A 90 7.598 6.305 26.233 1.00 4.14 H new ATOM 0 HG22 VAL A 90 9.211 5.560 26.139 1.00 4.14 H new ATOM 0 HG23 VAL A 90 9.055 7.323 26.320 1.00 4.14 H new ATOM 1455 N LYS A 91 11.054 4.698 23.080 1.00 2.24 N ATOM 1456 CA LYS A 91 11.812 3.461 23.226 1.00 41.12 C ATOM 1457 C LYS A 91 13.154 3.722 23.902 1.00 23.52 C ATOM 1458 O LYS A 91 13.648 2.890 24.664 1.00 2.45 O ATOM 1459 CB LYS A 91 12.036 2.812 21.858 1.00 53.10 C ATOM 1460 CG LYS A 91 12.869 3.659 20.912 1.00 63.11 C ATOM 1461 CD LYS A 91 14.319 3.205 20.888 1.00 3.22 C ATOM 1462 CE LYS A 91 15.077 3.822 19.723 1.00 62.15 C ATOM 1463 NZ LYS A 91 16.505 3.399 19.704 1.00 41.34 N ATOM 0 H LYS A 91 10.715 4.876 22.135 1.00 2.24 H new ATOM 0 HA LYS A 91 11.235 2.782 23.854 1.00 41.12 H new ATOM 0 HB2 LYS A 91 12.527 1.849 21.998 1.00 53.10 H new ATOM 0 HB3 LYS A 91 11.069 2.612 21.397 1.00 53.10 H new ATOM 0 HG2 LYS A 91 12.452 3.601 19.907 1.00 63.11 H new ATOM 0 HG3 LYS A 91 12.819 4.704 21.218 1.00 63.11 H new ATOM 0 HD2 LYS A 91 14.803 3.480 21.825 1.00 3.22 H new ATOM 0 HD3 LYS A 91 14.360 2.118 20.815 1.00 3.22 H new ATOM 0 HE2 LYS A 91 14.600 3.534 18.786 1.00 62.15 H new ATOM 0 HE3 LYS A 91 15.021 4.909 19.788 1.00 62.15 H new ATOM 0 HZ1 LYS A 91 16.987 3.841 18.895 1.00 41.34 H new ATOM 0 HZ2 LYS A 91 16.967 3.696 20.587 1.00 41.34 H new ATOM 0 HZ3 LYS A 91 16.559 2.364 19.616 1.00 41.34 H new ATOM 1477 N PHE A 92 13.739 4.881 23.619 1.00 21.14 N ATOM 1478 CA PHE A 92 15.024 5.251 24.201 1.00 21.22 C ATOM 1479 C PHE A 92 14.854 5.716 25.644 1.00 0.04 C ATOM 1480 O PHE A 92 15.699 5.447 26.498 1.00 34.54 O ATOM 1481 CB PHE A 92 15.684 6.354 23.372 1.00 3.52 C ATOM 1482 CG PHE A 92 17.059 6.723 23.852 1.00 42.24 C ATOM 1483 CD1 PHE A 92 18.177 6.067 23.362 1.00 1.11 C ATOM 1484 CD2 PHE A 92 17.234 7.725 24.792 1.00 14.53 C ATOM 1485 CE1 PHE A 92 19.444 6.404 23.801 1.00 52.22 C ATOM 1486 CE2 PHE A 92 18.498 8.067 25.234 1.00 13.14 C ATOM 1487 CZ PHE A 92 19.604 7.405 24.739 1.00 30.11 C ATOM 0 H PHE A 92 13.344 5.580 22.990 1.00 21.14 H new ATOM 0 HA PHE A 92 15.665 4.369 24.196 1.00 21.22 H new ATOM 0 HB2 PHE A 92 15.745 6.029 22.333 1.00 3.52 H new ATOM 0 HB3 PHE A 92 15.051 7.241 23.392 1.00 3.52 H new ATOM 0 HD1 PHE A 92 18.057 5.283 22.629 1.00 1.11 H new ATOM 0 HD2 PHE A 92 16.373 8.245 25.184 1.00 14.53 H new ATOM 0 HE1 PHE A 92 20.307 5.885 23.411 1.00 52.22 H new ATOM 0 HE2 PHE A 92 18.621 8.852 25.966 1.00 13.14 H new ATOM 0 HZ PHE A 92 20.592 7.669 25.085 1.00 30.11 H new ATOM 1497 N SER A 93 13.756 6.417 25.908 1.00 31.15 N ATOM 1498 CA SER A 93 13.476 6.924 27.247 1.00 60.03 C ATOM 1499 C SER A 93 14.666 7.708 27.790 1.00 3.52 C ATOM 1500 O SER A 93 14.915 7.723 28.995 1.00 53.13 O ATOM 1501 CB SER A 93 13.137 5.770 28.192 1.00 60.31 C ATOM 1502 OG SER A 93 14.312 5.188 28.728 1.00 25.50 O ATOM 0 H SER A 93 13.046 6.647 25.213 1.00 31.15 H new ATOM 0 HA SER A 93 12.619 7.595 27.183 1.00 60.03 H new ATOM 0 HB2 SER A 93 12.505 6.133 29.002 1.00 60.31 H new ATOM 0 HB3 SER A 93 12.564 5.013 27.656 1.00 60.31 H new ATOM 0 HG SER A 93 14.936 4.982 28.001 1.00 25.50 H new TER 1508 SER A 93