USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 658 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 SER N :NH3+ 136:sc= 0.0269 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HE2:sc= 0.0181 K(o=0.018,f=-0.59) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 43:sc= 0.209 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0914) USER MOD Single : A 9 LYS NZ :NH3+ 139:sc= -0.125 (180deg=-3.33!) USER MOD Single : A 12 ASN : amide:sc= -0.379 X(o=-0.38,f=-0.13) USER MOD Single : A 14 THR OG1 : rot 37:sc= 0.467 USER MOD Single : A 15 THR OG1 : rot 36:sc= 0.273 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -90:sc= 0.245 USER MOD Single : A 20 GLN : amide:sc= 0.279 K(o=0.28,f=-5.9!) USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= 1.08 (180deg=0.971) USER MOD Single : A 29 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.22) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -100:sc= 0.471 USER MOD Single : A 32 HIS : no HD1:sc= -0.317 X(o=-0.32,f=-0.046) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc=-0.00893 X(o=-0.0089,f=-0.0089) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -74:sc= 0.848 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -1.6! K(o=-1.6!,f=-0.067) USER MOD Single : A 59 ASN : amide:sc= -0.687 K(o=-0.69,f=-1.8!) USER MOD Single : A 63 LYS NZ :NH3+ -173:sc=-0.00155 (180deg=-0.0699) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.23 K(o=-0.23,f=-4.2!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.0181 X(o=-0.018,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 31.591 -2.874 -19.517 1.00 21.53 N ATOM 2 CA SER A 1 30.582 -1.781 -19.514 1.00 72.11 C ATOM 3 C SER A 1 31.153 -0.497 -18.875 1.00 11.53 C ATOM 4 O SER A 1 31.982 -0.567 -17.963 1.00 21.33 O ATOM 5 CB SER A 1 29.309 -2.231 -18.762 1.00 43.23 C ATOM 6 OG SER A 1 28.736 -3.390 -19.350 1.00 64.43 O ATOM 0 H1 SER A 1 31.141 -3.763 -19.220 1.00 21.53 H new ATOM 0 H2 SER A 1 31.979 -2.986 -20.476 1.00 21.53 H new ATOM 0 H3 SER A 1 32.360 -2.638 -18.858 1.00 21.53 H new ATOM 0 HA SER A 1 30.323 -1.557 -20.549 1.00 72.11 H new ATOM 0 HB2 SER A 1 29.554 -2.435 -17.720 1.00 43.23 H new ATOM 0 HB3 SER A 1 28.579 -1.422 -18.765 1.00 43.23 H new ATOM 0 HG SER A 1 27.934 -3.649 -18.849 1.00 64.43 H new ATOM 14 N HIS A 2 30.704 0.671 -19.365 1.00 23.12 N ATOM 15 CA HIS A 2 31.069 1.991 -18.796 1.00 34.21 C ATOM 16 C HIS A 2 29.905 2.525 -17.925 1.00 10.11 C ATOM 17 O HIS A 2 28.748 2.510 -18.366 1.00 61.21 O ATOM 18 CB HIS A 2 31.390 2.998 -19.936 1.00 20.51 C ATOM 19 CG HIS A 2 31.963 4.310 -19.464 1.00 20.42 C ATOM 20 ND1 HIS A 2 31.203 5.316 -18.903 1.00 43.02 N ATOM 21 CD2 HIS A 2 33.238 4.767 -19.454 1.00 74.51 C ATOM 22 CE1 HIS A 2 31.979 6.328 -18.580 1.00 62.14 C ATOM 23 NE2 HIS A 2 33.214 6.023 -18.900 1.00 55.31 N ATOM 0 H HIS A 2 30.077 0.733 -20.167 1.00 23.12 H new ATOM 0 HA HIS A 2 31.957 1.876 -18.174 1.00 34.21 H new ATOM 0 HB2 HIS A 2 32.095 2.535 -20.626 1.00 20.51 H new ATOM 0 HB3 HIS A 2 30.477 3.195 -20.498 1.00 20.51 H new ATOM 0 HD1 HIS A 2 30.194 5.280 -18.761 1.00 43.02 H new ATOM 0 HD2 HIS A 2 34.110 4.242 -19.814 1.00 74.51 H new ATOM 0 HE1 HIS A 2 31.654 7.253 -18.128 1.00 62.14 H new ATOM 32 N MET A 3 30.221 3.001 -16.706 1.00 11.41 N ATOM 33 CA MET A 3 29.220 3.569 -15.771 1.00 60.10 C ATOM 34 C MET A 3 28.597 4.869 -16.351 1.00 33.41 C ATOM 35 O MET A 3 29.317 5.816 -16.687 1.00 5.42 O ATOM 36 CB MET A 3 29.867 3.842 -14.383 1.00 52.11 C ATOM 37 CG MET A 3 30.372 2.587 -13.649 1.00 40.43 C ATOM 38 SD MET A 3 31.734 1.764 -14.507 1.00 10.35 S ATOM 39 CE MET A 3 31.956 0.300 -13.495 1.00 31.03 C ATOM 0 H MET A 3 31.173 3.005 -16.339 1.00 11.41 H new ATOM 0 HA MET A 3 28.420 2.840 -15.642 1.00 60.10 H new ATOM 0 HB2 MET A 3 30.703 4.529 -14.516 1.00 52.11 H new ATOM 0 HB3 MET A 3 29.137 4.347 -13.750 1.00 52.11 H new ATOM 0 HG2 MET A 3 30.697 2.866 -12.647 1.00 40.43 H new ATOM 0 HG3 MET A 3 29.547 1.885 -13.532 1.00 40.43 H new ATOM 0 HE1 MET A 3 32.765 -0.306 -13.904 1.00 31.03 H new ATOM 0 HE2 MET A 3 32.204 0.596 -12.476 1.00 31.03 H new ATOM 0 HE3 MET A 3 31.034 -0.282 -13.490 1.00 31.03 H new ATOM 49 N SER A 4 27.257 4.892 -16.474 1.00 31.52 N ATOM 50 CA SER A 4 26.516 6.014 -17.092 1.00 42.41 C ATOM 51 C SER A 4 26.334 7.189 -16.096 1.00 21.22 C ATOM 52 O SER A 4 25.402 7.205 -15.287 1.00 10.24 O ATOM 53 CB SER A 4 25.147 5.514 -17.635 1.00 54.32 C ATOM 54 OG SER A 4 24.394 4.841 -16.630 1.00 34.23 O ATOM 0 H SER A 4 26.655 4.135 -16.149 1.00 31.52 H new ATOM 0 HA SER A 4 27.101 6.394 -17.929 1.00 42.41 H new ATOM 0 HB2 SER A 4 24.574 6.361 -18.012 1.00 54.32 H new ATOM 0 HB3 SER A 4 25.313 4.841 -18.476 1.00 54.32 H new ATOM 0 HG SER A 4 24.458 5.336 -15.787 1.00 34.23 H new ATOM 60 N ASN A 5 27.282 8.142 -16.128 1.00 1.20 N ATOM 61 CA ASN A 5 27.234 9.365 -15.301 1.00 53.41 C ATOM 62 C ASN A 5 26.897 10.588 -16.191 1.00 72.13 C ATOM 63 O ASN A 5 27.775 11.148 -16.853 1.00 21.53 O ATOM 64 CB ASN A 5 28.595 9.562 -14.573 1.00 14.10 C ATOM 65 CG ASN A 5 28.628 10.790 -13.659 1.00 21.14 C ATOM 66 OD1 ASN A 5 27.624 11.177 -13.072 1.00 74.02 O ATOM 67 ND2 ASN A 5 29.779 11.416 -13.541 1.00 72.02 N ATOM 0 H ASN A 5 28.105 8.088 -16.728 1.00 1.20 H new ATOM 0 HA ASN A 5 26.453 9.266 -14.547 1.00 53.41 H new ATOM 0 HB2 ASN A 5 28.813 8.673 -13.981 1.00 14.10 H new ATOM 0 HB3 ASN A 5 29.386 9.652 -15.317 1.00 14.10 H new ATOM 0 HD21 ASN A 5 29.851 12.244 -12.950 1.00 72.02 H new ATOM 0 HD22 ASN A 5 30.600 11.073 -14.040 1.00 72.02 H new ATOM 74 N LYS A 6 25.606 10.964 -16.233 1.00 65.10 N ATOM 75 CA LYS A 6 25.120 12.160 -16.965 1.00 32.20 C ATOM 76 C LYS A 6 24.568 13.186 -15.946 1.00 52.33 C ATOM 77 O LYS A 6 23.577 12.914 -15.262 1.00 31.14 O ATOM 78 CB LYS A 6 24.014 11.757 -17.984 1.00 24.35 C ATOM 79 CG LYS A 6 24.461 10.703 -19.022 1.00 32.22 C ATOM 80 CD LYS A 6 23.323 10.300 -19.984 1.00 2.13 C ATOM 81 CE LYS A 6 23.754 9.247 -21.014 1.00 31.54 C ATOM 82 NZ LYS A 6 22.629 8.865 -21.895 1.00 32.51 N ATOM 0 H LYS A 6 24.864 10.449 -15.760 1.00 65.10 H new ATOM 0 HA LYS A 6 25.945 12.608 -17.519 1.00 32.20 H new ATOM 0 HB2 LYS A 6 23.155 11.369 -17.436 1.00 24.35 H new ATOM 0 HB3 LYS A 6 23.679 12.650 -18.511 1.00 24.35 H new ATOM 0 HG2 LYS A 6 25.297 11.098 -19.599 1.00 32.22 H new ATOM 0 HG3 LYS A 6 24.823 9.816 -18.502 1.00 32.22 H new ATOM 0 HD2 LYS A 6 22.485 9.912 -19.405 1.00 2.13 H new ATOM 0 HD3 LYS A 6 22.965 11.187 -20.507 1.00 2.13 H new ATOM 0 HE2 LYS A 6 24.574 9.639 -21.616 1.00 31.54 H new ATOM 0 HE3 LYS A 6 24.131 8.364 -20.498 1.00 31.54 H new ATOM 0 HZ1 LYS A 6 22.951 8.152 -22.580 1.00 32.51 H new ATOM 0 HZ2 LYS A 6 21.857 8.469 -21.321 1.00 32.51 H new ATOM 0 HZ3 LYS A 6 22.286 9.705 -22.404 1.00 32.51 H new ATOM 96 N GLY A 7 25.218 14.362 -15.850 1.00 54.31 N ATOM 97 CA GLY A 7 24.835 15.401 -14.869 1.00 24.14 C ATOM 98 C GLY A 7 23.752 16.370 -15.364 1.00 53.34 C ATOM 99 O GLY A 7 23.906 17.592 -15.286 1.00 74.13 O ATOM 0 H GLY A 7 26.011 14.618 -16.439 1.00 54.31 H new ATOM 0 HA2 GLY A 7 24.482 14.913 -13.960 1.00 24.14 H new ATOM 0 HA3 GLY A 7 25.722 15.974 -14.599 1.00 24.14 H new ATOM 103 N LYS A 8 22.639 15.819 -15.878 1.00 45.54 N ATOM 104 CA LYS A 8 21.463 16.605 -16.315 1.00 32.43 C ATOM 105 C LYS A 8 20.384 16.566 -15.212 1.00 43.23 C ATOM 106 O LYS A 8 19.497 15.705 -15.213 1.00 55.15 O ATOM 107 CB LYS A 8 20.918 16.075 -17.682 1.00 30.33 C ATOM 108 CG LYS A 8 21.740 16.506 -18.931 1.00 21.24 C ATOM 109 CD LYS A 8 23.194 15.959 -18.965 1.00 71.40 C ATOM 110 CE LYS A 8 24.009 16.496 -20.160 1.00 14.22 C ATOM 111 NZ LYS A 8 24.197 17.970 -20.102 1.00 53.11 N ATOM 0 H LYS A 8 22.525 14.813 -16.004 1.00 45.54 H new ATOM 0 HA LYS A 8 21.757 17.643 -16.473 1.00 32.43 H new ATOM 0 HB2 LYS A 8 20.886 14.986 -17.645 1.00 30.33 H new ATOM 0 HB3 LYS A 8 19.891 16.420 -17.805 1.00 30.33 H new ATOM 0 HG2 LYS A 8 21.218 16.171 -19.827 1.00 21.24 H new ATOM 0 HG3 LYS A 8 21.774 17.595 -18.970 1.00 21.24 H new ATOM 0 HD2 LYS A 8 23.699 16.227 -18.037 1.00 71.40 H new ATOM 0 HD3 LYS A 8 23.166 14.870 -19.010 1.00 71.40 H new ATOM 0 HE2 LYS A 8 24.984 16.009 -20.180 1.00 14.22 H new ATOM 0 HE3 LYS A 8 23.503 16.233 -21.089 1.00 14.22 H new ATOM 0 HZ1 LYS A 8 24.873 18.263 -20.836 1.00 53.11 H new ATOM 0 HZ2 LYS A 8 23.285 18.443 -20.263 1.00 53.11 H new ATOM 0 HZ3 LYS A 8 24.565 18.237 -19.166 1.00 53.11 H new ATOM 125 N LYS A 9 20.519 17.482 -14.232 1.00 55.43 N ATOM 126 CA LYS A 9 19.589 17.615 -13.092 1.00 32.02 C ATOM 127 C LYS A 9 18.254 18.222 -13.595 1.00 51.52 C ATOM 128 O LYS A 9 18.209 19.399 -13.973 1.00 63.50 O ATOM 129 CB LYS A 9 20.259 18.499 -11.978 1.00 44.13 C ATOM 130 CG LYS A 9 19.551 18.542 -10.585 1.00 1.22 C ATOM 131 CD LYS A 9 18.276 19.438 -10.502 1.00 2.24 C ATOM 132 CE LYS A 9 18.538 20.956 -10.652 1.00 4.13 C ATOM 133 NZ LYS A 9 18.918 21.376 -12.031 1.00 3.23 N ATOM 0 H LYS A 9 21.284 18.157 -14.209 1.00 55.43 H new ATOM 0 HA LYS A 9 19.369 16.641 -12.655 1.00 32.02 H new ATOM 0 HB2 LYS A 9 21.278 18.142 -11.829 1.00 44.13 H new ATOM 0 HB3 LYS A 9 20.331 19.520 -12.353 1.00 44.13 H new ATOM 0 HG2 LYS A 9 19.277 17.525 -10.306 1.00 1.22 H new ATOM 0 HG3 LYS A 9 20.269 18.894 -9.844 1.00 1.22 H new ATOM 0 HD2 LYS A 9 17.578 19.126 -11.279 1.00 2.24 H new ATOM 0 HD3 LYS A 9 17.787 19.261 -9.544 1.00 2.24 H new ATOM 0 HE2 LYS A 9 17.642 21.500 -10.352 1.00 4.13 H new ATOM 0 HE3 LYS A 9 19.332 21.246 -9.964 1.00 4.13 H new ATOM 0 HZ1 LYS A 9 18.439 22.269 -12.266 1.00 3.23 H new ATOM 0 HZ2 LYS A 9 19.948 21.512 -12.081 1.00 3.23 H new ATOM 0 HZ3 LYS A 9 18.633 20.641 -12.709 1.00 3.23 H new ATOM 147 N ARG A 10 17.182 17.410 -13.597 1.00 51.35 N ATOM 148 CA ARG A 10 15.839 17.853 -14.025 1.00 71.34 C ATOM 149 C ARG A 10 15.029 18.368 -12.796 1.00 41.44 C ATOM 150 O ARG A 10 15.175 19.538 -12.411 1.00 20.40 O ATOM 151 CB ARG A 10 15.102 16.697 -14.764 1.00 64.43 C ATOM 152 CG ARG A 10 15.894 16.057 -15.929 1.00 71.03 C ATOM 153 CD ARG A 10 15.107 14.934 -16.629 1.00 13.21 C ATOM 154 NE ARG A 10 15.899 14.260 -17.685 1.00 32.23 N ATOM 155 CZ ARG A 10 15.681 14.351 -18.982 1.00 40.55 C ATOM 156 NH1 ARG A 10 14.780 15.153 -19.462 1.00 45.24 N ATOM 157 NH2 ARG A 10 16.383 13.636 -19.802 1.00 21.30 N ATOM 0 H ARG A 10 17.219 16.434 -13.304 1.00 51.35 H new ATOM 0 HA ARG A 10 15.936 18.681 -14.727 1.00 71.34 H new ATOM 0 HB2 ARG A 10 14.858 15.920 -14.040 1.00 64.43 H new ATOM 0 HB3 ARG A 10 14.158 17.078 -15.152 1.00 64.43 H new ATOM 0 HG2 ARG A 10 16.148 16.827 -16.658 1.00 71.03 H new ATOM 0 HG3 ARG A 10 16.833 15.656 -15.548 1.00 71.03 H new ATOM 0 HD2 ARG A 10 14.794 14.198 -15.889 1.00 13.21 H new ATOM 0 HD3 ARG A 10 14.200 15.350 -17.069 1.00 13.21 H new ATOM 0 HE ARG A 10 16.679 13.676 -17.383 1.00 32.23 H new ATOM 0 HH11 ARG A 10 14.223 15.730 -18.832 1.00 45.24 H new ATOM 0 HH12 ARG A 10 14.629 15.206 -20.469 1.00 45.24 H new ATOM 0 HH21 ARG A 10 17.101 13.006 -19.444 1.00 21.30 H new ATOM 0 HH22 ARG A 10 16.218 13.703 -20.806 1.00 21.30 H new ATOM 171 N ARG A 11 14.224 17.466 -12.171 1.00 65.15 N ATOM 172 CA ARG A 11 13.359 17.756 -10.991 1.00 32.04 C ATOM 173 C ARG A 11 12.497 16.515 -10.650 1.00 30.44 C ATOM 174 O ARG A 11 12.039 15.794 -11.546 1.00 72.42 O ATOM 175 CB ARG A 11 12.447 18.998 -11.219 1.00 23.03 C ATOM 176 CG ARG A 11 11.499 18.909 -12.446 1.00 35.51 C ATOM 177 CD ARG A 11 11.172 20.290 -13.026 1.00 34.04 C ATOM 178 NE ARG A 11 12.411 20.977 -13.463 1.00 70.02 N ATOM 179 CZ ARG A 11 12.644 21.485 -14.654 1.00 32.42 C ATOM 180 NH1 ARG A 11 11.730 21.513 -15.574 1.00 43.53 N ATOM 181 NH2 ARG A 11 13.811 21.973 -14.912 1.00 32.52 N ATOM 0 H ARG A 11 14.156 16.496 -12.479 1.00 65.15 H new ATOM 0 HA ARG A 11 14.016 17.988 -10.153 1.00 32.04 H new ATOM 0 HB2 ARG A 11 11.843 19.154 -10.325 1.00 23.03 H new ATOM 0 HB3 ARG A 11 13.081 19.877 -11.333 1.00 23.03 H new ATOM 0 HG2 ARG A 11 11.962 18.293 -13.217 1.00 35.51 H new ATOM 0 HG3 ARG A 11 10.574 18.411 -12.153 1.00 35.51 H new ATOM 0 HD2 ARG A 11 10.491 20.184 -13.870 1.00 34.04 H new ATOM 0 HD3 ARG A 11 10.660 20.893 -12.277 1.00 34.04 H new ATOM 0 HE ARG A 11 13.156 21.064 -12.772 1.00 70.02 H new ATOM 0 HH11 ARG A 11 10.802 21.135 -15.383 1.00 43.53 H new ATOM 0 HH12 ARG A 11 11.939 21.913 -16.489 1.00 43.53 H new ATOM 0 HH21 ARG A 11 14.538 21.961 -14.197 1.00 32.52 H new ATOM 0 HH22 ARG A 11 14.006 22.370 -15.831 1.00 32.52 H new ATOM 195 N ASN A 12 12.310 16.253 -9.348 1.00 63.01 N ATOM 196 CA ASN A 12 11.446 15.156 -8.861 1.00 54.34 C ATOM 197 C ASN A 12 10.001 15.662 -8.645 1.00 4.44 C ATOM 198 O ASN A 12 9.789 16.715 -8.037 1.00 73.53 O ATOM 199 CB ASN A 12 12.034 14.539 -7.561 1.00 50.23 C ATOM 200 CG ASN A 12 12.280 15.569 -6.448 1.00 44.31 C ATOM 201 OD1 ASN A 12 11.418 15.817 -5.609 1.00 62.23 O ATOM 202 ND2 ASN A 12 13.454 16.182 -6.444 1.00 2.14 N ATOM 0 H ASN A 12 12.750 16.791 -8.601 1.00 63.01 H new ATOM 0 HA ASN A 12 11.413 14.371 -9.616 1.00 54.34 H new ATOM 0 HB2 ASN A 12 11.352 13.773 -7.192 1.00 50.23 H new ATOM 0 HB3 ASN A 12 12.974 14.041 -7.798 1.00 50.23 H new ATOM 0 HD21 ASN A 12 13.662 16.881 -5.731 1.00 2.14 H new ATOM 0 HD22 ASN A 12 14.150 15.955 -7.154 1.00 2.14 H new ATOM 209 N ARG A 13 9.013 14.935 -9.186 1.00 73.54 N ATOM 210 CA ARG A 13 7.589 15.218 -8.932 1.00 1.14 C ATOM 211 C ARG A 13 7.139 14.428 -7.684 1.00 12.30 C ATOM 212 O ARG A 13 7.249 13.198 -7.657 1.00 63.22 O ATOM 213 CB ARG A 13 6.725 14.860 -10.170 1.00 71.21 C ATOM 214 CG ARG A 13 5.238 15.261 -10.028 1.00 4.40 C ATOM 215 CD ARG A 13 4.440 15.123 -11.334 1.00 42.43 C ATOM 216 NE ARG A 13 4.315 13.726 -11.789 1.00 23.33 N ATOM 217 CZ ARG A 13 4.361 13.320 -13.039 1.00 32.34 C ATOM 218 NH1 ARG A 13 4.624 14.141 -14.016 1.00 52.52 N ATOM 219 NH2 ARG A 13 4.162 12.074 -13.298 1.00 21.30 N ATOM 0 H ARG A 13 9.173 14.141 -9.806 1.00 73.54 H new ATOM 0 HA ARG A 13 7.455 16.284 -8.747 1.00 1.14 H new ATOM 0 HB2 ARG A 13 7.143 15.353 -11.048 1.00 71.21 H new ATOM 0 HB3 ARG A 13 6.787 13.786 -10.347 1.00 71.21 H new ATOM 0 HG2 ARG A 13 4.774 14.641 -9.261 1.00 4.40 H new ATOM 0 HG3 ARG A 13 5.179 16.293 -9.683 1.00 4.40 H new ATOM 0 HD2 ARG A 13 3.444 15.543 -11.191 1.00 42.43 H new ATOM 0 HD3 ARG A 13 4.925 15.711 -12.113 1.00 42.43 H new ATOM 0 HE ARG A 13 4.181 13.013 -11.072 1.00 23.33 H new ATOM 0 HH11 ARG A 13 4.801 15.126 -13.821 1.00 52.52 H new ATOM 0 HH12 ARG A 13 4.653 13.798 -14.976 1.00 52.52 H new ATOM 0 HH21 ARG A 13 3.972 11.419 -12.539 1.00 21.30 H new ATOM 0 HH22 ARG A 13 4.194 11.742 -14.262 1.00 21.30 H new ATOM 233 N THR A 14 6.647 15.148 -6.659 1.00 3.43 N ATOM 234 CA THR A 14 6.338 14.573 -5.330 1.00 22.34 C ATOM 235 C THR A 14 5.160 13.561 -5.396 1.00 62.20 C ATOM 236 O THR A 14 3.986 13.938 -5.500 1.00 10.42 O ATOM 237 CB THR A 14 6.051 15.707 -4.280 1.00 35.11 C ATOM 238 OG1 THR A 14 4.905 16.489 -4.672 1.00 42.04 O ATOM 239 CG2 THR A 14 7.266 16.646 -4.123 1.00 31.21 C ATOM 0 H THR A 14 6.451 16.147 -6.726 1.00 3.43 H new ATOM 0 HA THR A 14 7.219 14.021 -5.003 1.00 22.34 H new ATOM 0 HB THR A 14 5.852 15.218 -3.326 1.00 35.11 H new ATOM 0 HG1 THR A 14 4.237 15.905 -5.088 1.00 42.04 H new ATOM 0 HG21 THR A 14 7.036 17.419 -3.390 1.00 31.21 H new ATOM 0 HG22 THR A 14 8.129 16.071 -3.786 1.00 31.21 H new ATOM 0 HG23 THR A 14 7.493 17.111 -5.082 1.00 31.21 H new ATOM 247 N THR A 15 5.514 12.262 -5.378 1.00 4.21 N ATOM 248 CA THR A 15 4.555 11.143 -5.451 1.00 23.24 C ATOM 249 C THR A 15 3.797 10.978 -4.115 1.00 13.12 C ATOM 250 O THR A 15 4.424 10.781 -3.065 1.00 54.35 O ATOM 251 CB THR A 15 5.294 9.802 -5.811 1.00 2.22 C ATOM 252 OG1 THR A 15 6.314 9.498 -4.830 1.00 55.31 O ATOM 253 CG2 THR A 15 5.947 9.867 -7.206 1.00 1.55 C ATOM 0 H THR A 15 6.485 11.956 -5.312 1.00 4.21 H new ATOM 0 HA THR A 15 3.835 11.373 -6.236 1.00 23.24 H new ATOM 0 HB THR A 15 4.538 9.016 -5.813 1.00 2.22 H new ATOM 0 HG1 THR A 15 6.006 9.775 -3.942 1.00 55.31 H new ATOM 0 HG21 THR A 15 6.447 8.922 -7.418 1.00 1.55 H new ATOM 0 HG22 THR A 15 5.180 10.048 -7.959 1.00 1.55 H new ATOM 0 HG23 THR A 15 6.676 10.677 -7.229 1.00 1.55 H new ATOM 261 N PHE A 16 2.443 11.079 -4.174 1.00 73.13 N ATOM 262 CA PHE A 16 1.545 10.993 -2.986 1.00 44.55 C ATOM 263 C PHE A 16 1.854 12.124 -1.957 1.00 22.23 C ATOM 264 O PHE A 16 2.500 13.125 -2.301 1.00 23.32 O ATOM 265 CB PHE A 16 1.635 9.577 -2.325 1.00 21.34 C ATOM 266 CG PHE A 16 1.353 8.414 -3.284 1.00 10.43 C ATOM 267 CD1 PHE A 16 0.056 8.133 -3.709 1.00 44.41 C ATOM 268 CD2 PHE A 16 2.386 7.605 -3.763 1.00 74.34 C ATOM 269 CE1 PHE A 16 -0.197 7.081 -4.575 1.00 12.01 C ATOM 270 CE2 PHE A 16 2.131 6.553 -4.626 1.00 33.52 C ATOM 271 CZ PHE A 16 0.840 6.292 -5.031 1.00 5.32 C ATOM 0 H PHE A 16 1.939 11.223 -5.049 1.00 73.13 H new ATOM 0 HA PHE A 16 0.520 11.139 -3.327 1.00 44.55 H new ATOM 0 HB2 PHE A 16 2.631 9.450 -1.901 1.00 21.34 H new ATOM 0 HB3 PHE A 16 0.928 9.530 -1.497 1.00 21.34 H new ATOM 0 HD1 PHE A 16 -0.763 8.743 -3.359 1.00 44.41 H new ATOM 0 HD2 PHE A 16 3.402 7.804 -3.455 1.00 74.34 H new ATOM 0 HE1 PHE A 16 -1.209 6.878 -4.894 1.00 12.01 H new ATOM 0 HE2 PHE A 16 2.944 5.937 -4.982 1.00 33.52 H new ATOM 0 HZ PHE A 16 0.640 5.471 -5.704 1.00 5.32 H new ATOM 281 N THR A 17 1.337 12.001 -0.720 1.00 74.11 N ATOM 282 CA THR A 17 1.790 12.846 0.427 1.00 73.11 C ATOM 283 C THR A 17 2.574 11.993 1.450 1.00 24.40 C ATOM 284 O THR A 17 2.579 10.754 1.373 1.00 12.02 O ATOM 285 CB THR A 17 0.607 13.604 1.148 1.00 30.54 C ATOM 286 OG1 THR A 17 1.128 14.485 2.167 1.00 41.13 O ATOM 287 CG2 THR A 17 -0.404 12.649 1.799 1.00 75.12 C ATOM 0 H THR A 17 0.607 11.330 -0.479 1.00 74.11 H new ATOM 0 HA THR A 17 2.443 13.610 0.006 1.00 73.11 H new ATOM 0 HB THR A 17 0.088 14.170 0.374 1.00 30.54 H new ATOM 0 HG1 THR A 17 0.387 14.951 2.607 1.00 41.13 H new ATOM 0 HG21 THR A 17 -1.194 13.227 2.279 1.00 75.12 H new ATOM 0 HG22 THR A 17 -0.839 12.004 1.036 1.00 75.12 H new ATOM 0 HG23 THR A 17 0.102 12.037 2.545 1.00 75.12 H new ATOM 295 N SER A 18 3.227 12.677 2.408 1.00 73.12 N ATOM 296 CA SER A 18 4.078 12.040 3.441 1.00 43.23 C ATOM 297 C SER A 18 3.291 11.003 4.283 1.00 55.14 C ATOM 298 O SER A 18 3.808 9.928 4.594 1.00 63.33 O ATOM 299 CB SER A 18 4.685 13.117 4.372 1.00 63.02 C ATOM 300 OG SER A 18 5.609 12.554 5.293 1.00 34.31 O ATOM 0 H SER A 18 3.181 13.693 2.491 1.00 73.12 H new ATOM 0 HA SER A 18 4.877 11.511 2.922 1.00 43.23 H new ATOM 0 HB2 SER A 18 5.186 13.877 3.772 1.00 63.02 H new ATOM 0 HB3 SER A 18 3.886 13.618 4.918 1.00 63.02 H new ATOM 0 HG SER A 18 5.974 13.262 5.864 1.00 34.31 H new ATOM 306 N TYR A 19 2.035 11.351 4.637 1.00 5.41 N ATOM 307 CA TYR A 19 1.135 10.464 5.411 1.00 52.35 C ATOM 308 C TYR A 19 0.787 9.177 4.621 1.00 31.44 C ATOM 309 O TYR A 19 0.842 8.080 5.178 1.00 41.22 O ATOM 310 CB TYR A 19 -0.163 11.212 5.809 1.00 62.32 C ATOM 311 CG TYR A 19 -1.165 10.359 6.613 1.00 51.53 C ATOM 312 CD1 TYR A 19 -0.958 10.088 7.968 1.00 51.34 C ATOM 313 CD2 TYR A 19 -2.303 9.806 6.008 1.00 24.24 C ATOM 314 CE1 TYR A 19 -1.845 9.310 8.689 1.00 11.11 C ATOM 315 CE2 TYR A 19 -3.187 9.025 6.727 1.00 34.30 C ATOM 316 CZ TYR A 19 -2.955 8.779 8.066 1.00 12.13 C ATOM 317 OH TYR A 19 -3.837 7.995 8.784 1.00 54.33 O ATOM 0 H TYR A 19 1.617 12.250 4.397 1.00 5.41 H new ATOM 0 HA TYR A 19 1.666 10.171 6.317 1.00 52.35 H new ATOM 0 HB2 TYR A 19 0.103 12.090 6.398 1.00 62.32 H new ATOM 0 HB3 TYR A 19 -0.653 11.571 4.904 1.00 62.32 H new ATOM 0 HD1 TYR A 19 -0.088 10.494 8.462 1.00 51.34 H new ATOM 0 HD2 TYR A 19 -2.492 9.994 4.961 1.00 24.24 H new ATOM 0 HE1 TYR A 19 -1.669 9.119 9.737 1.00 11.11 H new ATOM 0 HE2 TYR A 19 -4.058 8.608 6.243 1.00 34.30 H new ATOM 0 HH TYR A 19 -3.562 7.056 8.726 1.00 54.33 H new ATOM 327 N GLN A 20 0.403 9.337 3.333 1.00 73.54 N ATOM 328 CA GLN A 20 0.038 8.193 2.455 1.00 53.24 C ATOM 329 C GLN A 20 1.189 7.172 2.349 1.00 3.11 C ATOM 330 O GLN A 20 0.978 5.988 2.582 1.00 52.23 O ATOM 331 CB GLN A 20 -0.397 8.687 1.047 1.00 3.21 C ATOM 332 CG GLN A 20 -1.756 9.419 1.034 1.00 0.35 C ATOM 333 CD GLN A 20 -2.121 10.036 -0.323 1.00 21.52 C ATOM 334 OE1 GLN A 20 -1.259 10.429 -1.097 1.00 13.43 O ATOM 335 NE2 GLN A 20 -3.403 10.151 -0.607 1.00 14.33 N ATOM 0 H GLN A 20 0.337 10.246 2.876 1.00 73.54 H new ATOM 0 HA GLN A 20 -0.811 7.686 2.914 1.00 53.24 H new ATOM 0 HB2 GLN A 20 0.369 9.356 0.655 1.00 3.21 H new ATOM 0 HB3 GLN A 20 -0.449 7.832 0.373 1.00 3.21 H new ATOM 0 HG2 GLN A 20 -2.538 8.717 1.324 1.00 0.35 H new ATOM 0 HG3 GLN A 20 -1.740 10.207 1.787 1.00 0.35 H new ATOM 0 HE21 GLN A 20 -4.104 9.816 0.054 1.00 14.33 H new ATOM 0 HE22 GLN A 20 -3.694 10.575 -1.488 1.00 14.33 H new ATOM 344 N LEU A 21 2.408 7.659 2.037 1.00 64.11 N ATOM 345 CA LEU A 21 3.637 6.818 1.969 1.00 2.45 C ATOM 346 C LEU A 21 3.951 6.139 3.324 1.00 64.44 C ATOM 347 O LEU A 21 4.430 5.001 3.362 1.00 5.15 O ATOM 348 CB LEU A 21 4.849 7.679 1.514 1.00 10.11 C ATOM 349 CG LEU A 21 4.764 8.274 0.074 1.00 22.44 C ATOM 350 CD1 LEU A 21 5.998 9.143 -0.241 1.00 44.42 C ATOM 351 CD2 LEU A 21 4.570 7.159 -0.976 1.00 2.34 C ATOM 0 H LEU A 21 2.575 8.642 1.824 1.00 64.11 H new ATOM 0 HA LEU A 21 3.454 6.029 1.239 1.00 2.45 H new ATOM 0 HB2 LEU A 21 4.970 8.502 2.219 1.00 10.11 H new ATOM 0 HB3 LEU A 21 5.749 7.068 1.580 1.00 10.11 H new ATOM 0 HG LEU A 21 3.889 8.922 0.028 1.00 22.44 H new ATOM 0 HD11 LEU A 21 5.912 9.545 -1.251 1.00 44.42 H new ATOM 0 HD12 LEU A 21 6.056 9.965 0.473 1.00 44.42 H new ATOM 0 HD13 LEU A 21 6.900 8.535 -0.168 1.00 44.42 H new ATOM 0 HD21 LEU A 21 4.514 7.602 -1.971 1.00 2.34 H new ATOM 0 HD22 LEU A 21 5.412 6.468 -0.933 1.00 2.34 H new ATOM 0 HD23 LEU A 21 3.647 6.619 -0.767 1.00 2.34 H new ATOM 363 N GLU A 22 3.686 6.866 4.422 1.00 54.04 N ATOM 364 CA GLU A 22 3.892 6.375 5.806 1.00 71.54 C ATOM 365 C GLU A 22 2.974 5.154 6.106 1.00 41.31 C ATOM 366 O GLU A 22 3.407 4.183 6.723 1.00 4.31 O ATOM 367 CB GLU A 22 3.650 7.554 6.822 1.00 71.21 C ATOM 368 CG GLU A 22 4.758 7.764 7.881 1.00 32.32 C ATOM 369 CD GLU A 22 4.726 6.747 9.039 1.00 50.42 C ATOM 370 OE1 GLU A 22 5.256 5.628 8.888 1.00 3.32 O ATOM 371 OE2 GLU A 22 4.161 7.064 10.108 1.00 14.53 O ATOM 0 H GLU A 22 3.320 7.817 4.380 1.00 54.04 H new ATOM 0 HA GLU A 22 4.920 6.031 5.917 1.00 71.54 H new ATOM 0 HB2 GLU A 22 3.533 8.478 6.256 1.00 71.21 H new ATOM 0 HB3 GLU A 22 2.707 7.376 7.339 1.00 71.21 H new ATOM 0 HG2 GLU A 22 5.730 7.708 7.390 1.00 32.32 H new ATOM 0 HG3 GLU A 22 4.666 8.769 8.292 1.00 32.32 H new ATOM 378 N GLU A 23 1.714 5.220 5.638 1.00 32.25 N ATOM 379 CA GLU A 23 0.708 4.138 5.814 1.00 43.12 C ATOM 380 C GLU A 23 0.995 2.931 4.883 1.00 51.45 C ATOM 381 O GLU A 23 0.921 1.774 5.317 1.00 53.04 O ATOM 382 CB GLU A 23 -0.714 4.682 5.523 1.00 13.24 C ATOM 383 CG GLU A 23 -1.149 5.896 6.371 1.00 72.41 C ATOM 384 CD GLU A 23 -1.365 5.582 7.860 1.00 61.52 C ATOM 385 OE1 GLU A 23 -0.406 5.666 8.648 1.00 71.20 O ATOM 386 OE2 GLU A 23 -2.504 5.268 8.250 1.00 64.41 O ATOM 0 H GLU A 23 1.356 6.025 5.124 1.00 32.25 H new ATOM 0 HA GLU A 23 0.772 3.796 6.847 1.00 43.12 H new ATOM 0 HB2 GLU A 23 -0.770 4.958 4.470 1.00 13.24 H new ATOM 0 HB3 GLU A 23 -1.431 3.876 5.680 1.00 13.24 H new ATOM 0 HG2 GLU A 23 -0.393 6.676 6.282 1.00 72.41 H new ATOM 0 HG3 GLU A 23 -2.074 6.300 5.959 1.00 72.41 H new ATOM 393 N LEU A 24 1.289 3.230 3.594 1.00 62.30 N ATOM 394 CA LEU A 24 1.591 2.207 2.550 1.00 24.14 C ATOM 395 C LEU A 24 2.749 1.286 2.994 1.00 32.41 C ATOM 396 O LEU A 24 2.676 0.061 2.863 1.00 53.11 O ATOM 397 CB LEU A 24 1.948 2.901 1.192 1.00 40.41 C ATOM 398 CG LEU A 24 0.804 3.709 0.479 1.00 45.01 C ATOM 399 CD1 LEU A 24 1.352 4.561 -0.687 1.00 11.05 C ATOM 400 CD2 LEU A 24 -0.333 2.783 -0.002 1.00 62.12 C ATOM 0 H LEU A 24 1.325 4.187 3.244 1.00 62.30 H new ATOM 0 HA LEU A 24 0.700 1.595 2.412 1.00 24.14 H new ATOM 0 HB2 LEU A 24 2.783 3.580 1.368 1.00 40.41 H new ATOM 0 HB3 LEU A 24 2.301 2.134 0.503 1.00 40.41 H new ATOM 0 HG LEU A 24 0.385 4.390 1.220 1.00 45.01 H new ATOM 0 HD11 LEU A 24 0.533 5.106 -1.156 1.00 11.05 H new ATOM 0 HD12 LEU A 24 2.087 5.270 -0.306 1.00 11.05 H new ATOM 0 HD13 LEU A 24 1.823 3.910 -1.423 1.00 11.05 H new ATOM 0 HD21 LEU A 24 -1.105 3.378 -0.490 1.00 62.12 H new ATOM 0 HD22 LEU A 24 0.065 2.055 -0.709 1.00 62.12 H new ATOM 0 HD23 LEU A 24 -0.763 2.261 0.853 1.00 62.12 H new ATOM 412 N GLU A 25 3.809 1.899 3.549 1.00 11.33 N ATOM 413 CA GLU A 25 4.992 1.189 4.008 1.00 33.40 C ATOM 414 C GLU A 25 4.715 0.316 5.268 1.00 42.15 C ATOM 415 O GLU A 25 5.308 -0.748 5.400 1.00 51.13 O ATOM 416 CB GLU A 25 6.120 2.214 4.252 1.00 63.41 C ATOM 417 CG GLU A 25 7.462 1.585 4.621 1.00 11.41 C ATOM 418 CD GLU A 25 8.619 2.600 4.714 1.00 21.53 C ATOM 419 OE1 GLU A 25 8.631 3.416 5.662 1.00 65.21 O ATOM 420 OE2 GLU A 25 9.518 2.587 3.842 1.00 62.30 O ATOM 0 H GLU A 25 3.859 2.908 3.688 1.00 11.33 H new ATOM 0 HA GLU A 25 5.302 0.486 3.235 1.00 33.40 H new ATOM 0 HB2 GLU A 25 6.248 2.818 3.354 1.00 63.41 H new ATOM 0 HB3 GLU A 25 5.816 2.891 5.051 1.00 63.41 H new ATOM 0 HG2 GLU A 25 7.362 1.073 5.578 1.00 11.41 H new ATOM 0 HG3 GLU A 25 7.714 0.827 3.879 1.00 11.41 H new ATOM 427 N LYS A 26 3.807 0.766 6.176 1.00 12.12 N ATOM 428 CA LYS A 26 3.391 -0.032 7.380 1.00 61.33 C ATOM 429 C LYS A 26 2.866 -1.430 6.979 1.00 13.34 C ATOM 430 O LYS A 26 3.278 -2.452 7.548 1.00 24.54 O ATOM 431 CB LYS A 26 2.289 0.693 8.206 1.00 13.41 C ATOM 432 CG LYS A 26 2.722 1.992 8.909 1.00 54.14 C ATOM 433 CD LYS A 26 1.579 2.597 9.762 1.00 22.04 C ATOM 434 CE LYS A 26 1.976 3.923 10.428 1.00 41.54 C ATOM 435 NZ LYS A 26 2.246 4.988 9.428 1.00 51.33 N ATOM 0 H LYS A 26 3.346 1.673 6.104 1.00 12.12 H new ATOM 0 HA LYS A 26 4.285 -0.139 7.994 1.00 61.33 H new ATOM 0 HB2 LYS A 26 1.456 0.922 7.542 1.00 13.41 H new ATOM 0 HB3 LYS A 26 1.914 0.002 8.961 1.00 13.41 H new ATOM 0 HG2 LYS A 26 3.583 1.790 9.547 1.00 54.14 H new ATOM 0 HG3 LYS A 26 3.042 2.719 8.163 1.00 54.14 H new ATOM 0 HD2 LYS A 26 0.706 2.759 9.130 1.00 22.04 H new ATOM 0 HD3 LYS A 26 1.287 1.882 10.531 1.00 22.04 H new ATOM 0 HE2 LYS A 26 1.178 4.247 11.096 1.00 41.54 H new ATOM 0 HE3 LYS A 26 2.863 3.769 11.042 1.00 41.54 H new ATOM 0 HZ1 LYS A 26 2.656 5.816 9.905 1.00 51.33 H new ATOM 0 HZ2 LYS A 26 2.915 4.633 8.715 1.00 51.33 H new ATOM 0 HZ3 LYS A 26 1.357 5.261 8.963 1.00 51.33 H new ATOM 449 N VAL A 27 1.946 -1.446 5.997 1.00 54.14 N ATOM 450 CA VAL A 27 1.367 -2.693 5.446 1.00 74.40 C ATOM 451 C VAL A 27 2.451 -3.536 4.732 1.00 2.32 C ATOM 452 O VAL A 27 2.480 -4.751 4.885 1.00 53.33 O ATOM 453 CB VAL A 27 0.172 -2.373 4.470 1.00 4.53 C ATOM 454 CG1 VAL A 27 -0.429 -3.661 3.831 1.00 54.12 C ATOM 455 CG2 VAL A 27 -0.919 -1.547 5.205 1.00 51.30 C ATOM 0 H VAL A 27 1.581 -0.599 5.562 1.00 54.14 H new ATOM 0 HA VAL A 27 0.976 -3.280 6.277 1.00 74.40 H new ATOM 0 HB VAL A 27 0.568 -1.775 3.650 1.00 4.53 H new ATOM 0 HG11 VAL A 27 -1.249 -3.389 3.167 1.00 54.12 H new ATOM 0 HG12 VAL A 27 0.343 -4.179 3.262 1.00 54.12 H new ATOM 0 HG13 VAL A 27 -0.802 -4.317 4.617 1.00 54.12 H new ATOM 0 HG21 VAL A 27 -1.738 -1.333 4.518 1.00 51.30 H new ATOM 0 HG22 VAL A 27 -1.297 -2.117 6.054 1.00 51.30 H new ATOM 0 HG23 VAL A 27 -0.489 -0.610 5.559 1.00 51.30 H new ATOM 465 N PHE A 28 3.361 -2.853 4.004 1.00 13.41 N ATOM 466 CA PHE A 28 4.494 -3.493 3.282 1.00 1.12 C ATOM 467 C PHE A 28 5.477 -4.212 4.255 1.00 41.42 C ATOM 468 O PHE A 28 6.098 -5.220 3.893 1.00 3.21 O ATOM 469 CB PHE A 28 5.235 -2.414 2.439 1.00 70.23 C ATOM 470 CG PHE A 28 6.288 -2.951 1.467 1.00 71.42 C ATOM 471 CD1 PHE A 28 5.908 -3.527 0.254 1.00 22.41 C ATOM 472 CD2 PHE A 28 7.652 -2.880 1.760 1.00 71.23 C ATOM 473 CE1 PHE A 28 6.849 -4.015 -0.629 1.00 54.44 C ATOM 474 CE2 PHE A 28 8.595 -3.370 0.872 1.00 1.41 C ATOM 475 CZ PHE A 28 8.193 -3.939 -0.322 1.00 75.12 C ATOM 0 H PHE A 28 3.335 -1.839 3.897 1.00 13.41 H new ATOM 0 HA PHE A 28 4.093 -4.262 2.622 1.00 1.12 H new ATOM 0 HB2 PHE A 28 4.495 -1.849 1.871 1.00 70.23 H new ATOM 0 HB3 PHE A 28 5.717 -1.713 3.120 1.00 70.23 H new ATOM 0 HD1 PHE A 28 4.860 -3.592 0.002 1.00 22.41 H new ATOM 0 HD2 PHE A 28 7.975 -2.437 2.691 1.00 71.23 H new ATOM 0 HE1 PHE A 28 6.534 -4.457 -1.562 1.00 54.44 H new ATOM 0 HE2 PHE A 28 9.646 -3.308 1.113 1.00 1.41 H new ATOM 0 HZ PHE A 28 8.929 -4.323 -1.013 1.00 75.12 H new ATOM 485 N GLN A 29 5.608 -3.678 5.491 1.00 62.32 N ATOM 486 CA GLN A 29 6.464 -4.277 6.547 1.00 71.41 C ATOM 487 C GLN A 29 5.865 -5.595 7.079 1.00 32.50 C ATOM 488 O GLN A 29 6.564 -6.607 7.187 1.00 72.24 O ATOM 489 CB GLN A 29 6.664 -3.283 7.728 1.00 34.53 C ATOM 490 CG GLN A 29 7.397 -1.975 7.364 1.00 35.03 C ATOM 491 CD GLN A 29 8.814 -2.178 6.826 1.00 63.51 C ATOM 492 OE1 GLN A 29 9.520 -3.110 7.206 1.00 34.23 O ATOM 493 NE2 GLN A 29 9.245 -1.302 5.939 1.00 45.11 N ATOM 0 H GLN A 29 5.129 -2.827 5.785 1.00 62.32 H new ATOM 0 HA GLN A 29 7.431 -4.494 6.093 1.00 71.41 H new ATOM 0 HB2 GLN A 29 5.687 -3.031 8.140 1.00 34.53 H new ATOM 0 HB3 GLN A 29 7.223 -3.787 8.517 1.00 34.53 H new ATOM 0 HG2 GLN A 29 6.811 -1.439 6.618 1.00 35.03 H new ATOM 0 HG3 GLN A 29 7.444 -1.340 8.249 1.00 35.03 H new ATOM 0 HE21 GLN A 29 8.639 -0.538 5.641 1.00 45.11 H new ATOM 0 HE22 GLN A 29 10.184 -1.389 5.551 1.00 45.11 H new ATOM 502 N LYS A 30 4.564 -5.565 7.420 1.00 43.30 N ATOM 503 CA LYS A 30 3.851 -6.746 7.974 1.00 54.40 C ATOM 504 C LYS A 30 3.628 -7.837 6.898 1.00 13.54 C ATOM 505 O LYS A 30 3.716 -9.039 7.180 1.00 3.31 O ATOM 506 CB LYS A 30 2.492 -6.317 8.589 1.00 64.42 C ATOM 507 CG LYS A 30 2.604 -5.265 9.720 1.00 10.22 C ATOM 508 CD LYS A 30 1.249 -4.972 10.417 1.00 3.12 C ATOM 509 CE LYS A 30 0.676 -6.211 11.142 1.00 12.41 C ATOM 510 NZ LYS A 30 -0.606 -5.924 11.827 1.00 50.13 N ATOM 0 H LYS A 30 3.977 -4.736 7.324 1.00 43.30 H new ATOM 0 HA LYS A 30 4.480 -7.172 8.756 1.00 54.40 H new ATOM 0 HB2 LYS A 30 1.860 -5.915 7.797 1.00 64.42 H new ATOM 0 HB3 LYS A 30 1.989 -7.201 8.981 1.00 64.42 H new ATOM 0 HG2 LYS A 30 3.320 -5.615 10.464 1.00 10.22 H new ATOM 0 HG3 LYS A 30 3.001 -4.338 9.307 1.00 10.22 H new ATOM 0 HD2 LYS A 30 1.381 -4.163 11.136 1.00 3.12 H new ATOM 0 HD3 LYS A 30 0.530 -4.624 9.675 1.00 3.12 H new ATOM 0 HE2 LYS A 30 0.527 -7.014 10.420 1.00 12.41 H new ATOM 0 HE3 LYS A 30 1.402 -6.569 11.872 1.00 12.41 H new ATOM 0 HZ1 LYS A 30 -0.949 -6.786 12.298 1.00 50.13 H new ATOM 0 HZ2 LYS A 30 -0.461 -5.177 12.536 1.00 50.13 H new ATOM 0 HZ3 LYS A 30 -1.309 -5.608 11.129 1.00 50.13 H new ATOM 524 N THR A 31 3.343 -7.386 5.661 1.00 41.12 N ATOM 525 CA THR A 31 3.063 -8.266 4.507 1.00 1.43 C ATOM 526 C THR A 31 3.372 -7.536 3.174 1.00 22.23 C ATOM 527 O THR A 31 2.711 -6.556 2.810 1.00 24.30 O ATOM 528 CB THR A 31 1.581 -8.805 4.531 1.00 33.11 C ATOM 529 OG1 THR A 31 1.306 -9.582 3.354 1.00 44.34 O ATOM 530 CG2 THR A 31 0.524 -7.685 4.665 1.00 61.44 C ATOM 0 H THR A 31 3.300 -6.393 5.432 1.00 41.12 H new ATOM 0 HA THR A 31 3.721 -9.131 4.583 1.00 1.43 H new ATOM 0 HB THR A 31 1.504 -9.430 5.421 1.00 33.11 H new ATOM 0 HG1 THR A 31 0.810 -9.035 2.709 1.00 44.34 H new ATOM 0 HG21 THR A 31 -0.473 -8.125 4.675 1.00 61.44 H new ATOM 0 HG22 THR A 31 0.689 -7.138 5.594 1.00 61.44 H new ATOM 0 HG23 THR A 31 0.610 -7.001 3.821 1.00 61.44 H new ATOM 538 N HIS A 32 4.414 -8.007 2.460 1.00 71.11 N ATOM 539 CA HIS A 32 4.840 -7.420 1.158 1.00 31.30 C ATOM 540 C HIS A 32 3.762 -7.608 0.058 1.00 21.42 C ATOM 541 O HIS A 32 3.674 -6.814 -0.886 1.00 22.04 O ATOM 542 CB HIS A 32 6.188 -8.043 0.711 1.00 2.34 C ATOM 543 CG HIS A 32 7.301 -7.863 1.714 1.00 13.15 C ATOM 544 ND1 HIS A 32 7.582 -8.780 2.701 1.00 14.14 N ATOM 545 CD2 HIS A 32 8.203 -6.864 1.878 1.00 12.03 C ATOM 546 CE1 HIS A 32 8.596 -8.354 3.426 1.00 20.51 C ATOM 547 NE2 HIS A 32 8.990 -7.196 2.950 1.00 1.44 N ATOM 0 H HIS A 32 4.984 -8.798 2.760 1.00 71.11 H new ATOM 0 HA HIS A 32 4.970 -6.348 1.303 1.00 31.30 H new ATOM 0 HB2 HIS A 32 6.043 -9.108 0.529 1.00 2.34 H new ATOM 0 HB3 HIS A 32 6.489 -7.596 -0.236 1.00 2.34 H new ATOM 0 HD2 HIS A 32 8.286 -5.972 1.275 1.00 12.03 H new ATOM 0 HE1 HIS A 32 9.030 -8.870 4.270 1.00 20.51 H new ATOM 0 HE2 HIS A 32 9.758 -6.634 3.318 1.00 1.44 H new ATOM 556 N TYR A 33 2.954 -8.675 0.210 1.00 61.32 N ATOM 557 CA TYR A 33 1.820 -8.993 -0.681 1.00 62.40 C ATOM 558 C TYR A 33 0.493 -8.530 -0.021 1.00 63.11 C ATOM 559 O TYR A 33 -0.021 -9.213 0.874 1.00 0.12 O ATOM 560 CB TYR A 33 1.772 -10.521 -0.947 1.00 72.20 C ATOM 561 CG TYR A 33 3.029 -11.098 -1.619 1.00 33.45 C ATOM 562 CD1 TYR A 33 4.121 -11.531 -0.861 1.00 52.35 C ATOM 563 CD2 TYR A 33 3.116 -11.215 -3.010 1.00 51.10 C ATOM 564 CE1 TYR A 33 5.250 -12.053 -1.464 1.00 52.05 C ATOM 565 CE2 TYR A 33 4.247 -11.737 -3.615 1.00 61.54 C ATOM 566 CZ TYR A 33 5.311 -12.154 -2.836 1.00 11.33 C ATOM 567 OH TYR A 33 6.440 -12.680 -3.435 1.00 41.23 O ATOM 0 H TYR A 33 3.072 -9.350 0.966 1.00 61.32 H new ATOM 0 HA TYR A 33 1.950 -8.472 -1.629 1.00 62.40 H new ATOM 0 HB2 TYR A 33 1.615 -11.036 0.001 1.00 72.20 H new ATOM 0 HB3 TYR A 33 0.908 -10.739 -1.575 1.00 72.20 H new ATOM 0 HD1 TYR A 33 4.082 -11.456 0.216 1.00 52.35 H new ATOM 0 HD2 TYR A 33 2.287 -10.893 -3.623 1.00 51.10 H new ATOM 0 HE1 TYR A 33 6.083 -12.381 -0.860 1.00 52.05 H new ATOM 0 HE2 TYR A 33 4.298 -11.818 -4.691 1.00 61.54 H new ATOM 0 HH TYR A 33 6.323 -12.683 -4.408 1.00 41.23 H new ATOM 577 N PRO A 34 -0.081 -7.352 -0.417 1.00 34.54 N ATOM 578 CA PRO A 34 -1.330 -6.835 0.192 1.00 63.33 C ATOM 579 C PRO A 34 -2.607 -7.534 -0.370 1.00 65.03 C ATOM 580 O PRO A 34 -2.891 -7.481 -1.575 1.00 13.45 O ATOM 581 CB PRO A 34 -1.277 -5.334 -0.169 1.00 11.02 C ATOM 582 CG PRO A 34 -0.601 -5.308 -1.513 1.00 11.11 C ATOM 583 CD PRO A 34 0.436 -6.424 -1.465 1.00 51.45 C ATOM 0 HA PRO A 34 -1.392 -7.022 1.264 1.00 63.33 H new ATOM 0 HB2 PRO A 34 -2.275 -4.899 -0.216 1.00 11.02 H new ATOM 0 HB3 PRO A 34 -0.715 -4.765 0.572 1.00 11.02 H new ATOM 0 HG2 PRO A 34 -1.318 -5.472 -2.317 1.00 11.11 H new ATOM 0 HG3 PRO A 34 -0.131 -4.342 -1.698 1.00 11.11 H new ATOM 0 HD2 PRO A 34 0.530 -6.923 -2.429 1.00 51.45 H new ATOM 0 HD3 PRO A 34 1.423 -6.041 -1.207 1.00 51.45 H new ATOM 591 N ASP A 35 -3.360 -8.197 0.526 1.00 25.13 N ATOM 592 CA ASP A 35 -4.667 -8.827 0.211 1.00 54.45 C ATOM 593 C ASP A 35 -5.745 -7.758 -0.107 1.00 63.20 C ATOM 594 O ASP A 35 -5.511 -6.568 0.113 1.00 23.43 O ATOM 595 CB ASP A 35 -5.104 -9.691 1.412 1.00 12.43 C ATOM 596 CG ASP A 35 -4.033 -10.713 1.822 1.00 63.24 C ATOM 597 OD1 ASP A 35 -3.159 -10.368 2.644 1.00 32.13 O ATOM 598 OD2 ASP A 35 -4.055 -11.854 1.312 1.00 24.53 O ATOM 0 H ASP A 35 -3.081 -8.315 1.500 1.00 25.13 H new ATOM 0 HA ASP A 35 -4.556 -9.451 -0.676 1.00 54.45 H new ATOM 0 HB2 ASP A 35 -5.327 -9.043 2.260 1.00 12.43 H new ATOM 0 HB3 ASP A 35 -6.026 -10.216 1.161 1.00 12.43 H new ATOM 603 N VAL A 36 -6.933 -8.181 -0.596 1.00 54.32 N ATOM 604 CA VAL A 36 -8.021 -7.227 -0.955 1.00 61.33 C ATOM 605 C VAL A 36 -8.505 -6.414 0.268 1.00 34.12 C ATOM 606 O VAL A 36 -8.658 -5.199 0.180 1.00 62.54 O ATOM 607 CB VAL A 36 -9.249 -7.922 -1.673 1.00 31.12 C ATOM 608 CG1 VAL A 36 -9.985 -8.942 -0.762 1.00 3.32 C ATOM 609 CG2 VAL A 36 -10.232 -6.866 -2.263 1.00 11.13 C ATOM 0 H VAL A 36 -7.166 -9.162 -0.752 1.00 54.32 H new ATOM 0 HA VAL A 36 -7.575 -6.540 -1.674 1.00 61.33 H new ATOM 0 HB VAL A 36 -8.837 -8.498 -2.502 1.00 31.12 H new ATOM 0 HG11 VAL A 36 -10.817 -9.385 -1.310 1.00 3.32 H new ATOM 0 HG12 VAL A 36 -9.291 -9.726 -0.459 1.00 3.32 H new ATOM 0 HG13 VAL A 36 -10.364 -8.432 0.123 1.00 3.32 H new ATOM 0 HG21 VAL A 36 -11.064 -7.375 -2.749 1.00 11.13 H new ATOM 0 HG22 VAL A 36 -10.612 -6.234 -1.460 1.00 11.13 H new ATOM 0 HG23 VAL A 36 -9.708 -6.249 -2.993 1.00 11.13 H new ATOM 619 N TYR A 37 -8.674 -7.092 1.420 1.00 50.14 N ATOM 620 CA TYR A 37 -9.117 -6.449 2.677 1.00 74.50 C ATOM 621 C TYR A 37 -7.993 -5.546 3.242 1.00 44.43 C ATOM 622 O TYR A 37 -8.264 -4.474 3.786 1.00 44.43 O ATOM 623 CB TYR A 37 -9.537 -7.531 3.711 1.00 5.13 C ATOM 624 CG TYR A 37 -10.310 -6.987 4.922 1.00 41.21 C ATOM 625 CD1 TYR A 37 -11.668 -6.668 4.811 1.00 12.13 C ATOM 626 CD2 TYR A 37 -9.695 -6.780 6.164 1.00 62.12 C ATOM 627 CE1 TYR A 37 -12.378 -6.167 5.886 1.00 22.15 C ATOM 628 CE2 TYR A 37 -10.405 -6.278 7.242 1.00 4.11 C ATOM 629 CZ TYR A 37 -11.743 -5.975 7.098 1.00 40.31 C ATOM 630 OH TYR A 37 -12.452 -5.473 8.167 1.00 41.23 O ATOM 0 H TYR A 37 -8.509 -8.095 1.508 1.00 50.14 H new ATOM 0 HA TYR A 37 -9.983 -5.821 2.470 1.00 74.50 H new ATOM 0 HB2 TYR A 37 -10.152 -8.277 3.208 1.00 5.13 H new ATOM 0 HB3 TYR A 37 -8.643 -8.043 4.066 1.00 5.13 H new ATOM 0 HD1 TYR A 37 -12.171 -6.816 3.867 1.00 12.13 H new ATOM 0 HD2 TYR A 37 -8.648 -7.016 6.283 1.00 62.12 H new ATOM 0 HE1 TYR A 37 -13.425 -5.926 5.779 1.00 22.15 H new ATOM 0 HE2 TYR A 37 -9.913 -6.124 8.191 1.00 4.11 H new ATOM 0 HH TYR A 37 -11.861 -5.399 8.945 1.00 41.23 H new ATOM 640 N ALA A 38 -6.733 -6.000 3.078 1.00 2.24 N ATOM 641 CA ALA A 38 -5.529 -5.221 3.459 1.00 32.50 C ATOM 642 C ALA A 38 -5.432 -3.892 2.660 1.00 1.43 C ATOM 643 O ALA A 38 -5.109 -2.846 3.229 1.00 53.13 O ATOM 644 CB ALA A 38 -4.257 -6.064 3.257 1.00 13.32 C ATOM 0 H ALA A 38 -6.518 -6.914 2.679 1.00 2.24 H new ATOM 0 HA ALA A 38 -5.620 -4.967 4.515 1.00 32.50 H new ATOM 0 HB1 ALA A 38 -3.383 -5.478 3.541 1.00 13.32 H new ATOM 0 HB2 ALA A 38 -4.311 -6.959 3.877 1.00 13.32 H new ATOM 0 HB3 ALA A 38 -4.175 -6.353 2.209 1.00 13.32 H new ATOM 650 N ARG A 39 -5.743 -3.949 1.343 1.00 14.51 N ATOM 651 CA ARG A 39 -5.729 -2.763 0.448 1.00 10.12 C ATOM 652 C ARG A 39 -6.948 -1.861 0.696 1.00 72.35 C ATOM 653 O ARG A 39 -6.856 -0.656 0.524 1.00 53.43 O ATOM 654 CB ARG A 39 -5.714 -3.185 -1.045 1.00 75.21 C ATOM 655 CG ARG A 39 -4.462 -3.969 -1.475 1.00 40.03 C ATOM 656 CD ARG A 39 -4.438 -4.266 -2.982 1.00 62.25 C ATOM 657 NE ARG A 39 -5.681 -4.918 -3.436 1.00 74.03 N ATOM 658 CZ ARG A 39 -5.821 -6.189 -3.740 1.00 33.11 C ATOM 659 NH1 ARG A 39 -4.853 -7.041 -3.583 1.00 35.14 N ATOM 660 NH2 ARG A 39 -6.970 -6.611 -4.157 1.00 63.01 N ATOM 0 H ARG A 39 -6.010 -4.813 0.871 1.00 14.51 H new ATOM 0 HA ARG A 39 -4.819 -2.208 0.676 1.00 10.12 H new ATOM 0 HB2 ARG A 39 -6.595 -3.794 -1.246 1.00 75.21 H new ATOM 0 HB3 ARG A 39 -5.797 -2.291 -1.663 1.00 75.21 H new ATOM 0 HG2 ARG A 39 -3.572 -3.400 -1.207 1.00 40.03 H new ATOM 0 HG3 ARG A 39 -4.419 -4.908 -0.923 1.00 40.03 H new ATOM 0 HD2 ARG A 39 -4.294 -3.336 -3.533 1.00 62.25 H new ATOM 0 HD3 ARG A 39 -3.587 -4.907 -3.212 1.00 62.25 H new ATOM 0 HE ARG A 39 -6.508 -4.328 -3.522 1.00 74.03 H new ATOM 0 HH11 ARG A 39 -3.954 -6.730 -3.215 1.00 35.14 H new ATOM 0 HH12 ARG A 39 -4.992 -8.021 -3.828 1.00 35.14 H new ATOM 0 HH21 ARG A 39 -7.751 -5.961 -4.246 1.00 63.01 H new ATOM 0 HH22 ARG A 39 -7.096 -7.594 -4.397 1.00 63.01 H new ATOM 674 N GLU A 40 -8.090 -2.470 1.064 1.00 35.24 N ATOM 675 CA GLU A 40 -9.331 -1.729 1.388 1.00 75.43 C ATOM 676 C GLU A 40 -9.148 -0.826 2.626 1.00 62.32 C ATOM 677 O GLU A 40 -9.414 0.377 2.562 1.00 74.34 O ATOM 678 CB GLU A 40 -10.514 -2.715 1.601 1.00 15.13 C ATOM 679 CG GLU A 40 -11.163 -3.228 0.298 1.00 42.23 C ATOM 680 CD GLU A 40 -11.887 -2.121 -0.489 1.00 25.41 C ATOM 681 OE1 GLU A 40 -12.899 -1.591 0.023 1.00 20.01 O ATOM 682 OE2 GLU A 40 -11.450 -1.760 -1.600 1.00 24.15 O ATOM 0 H GLU A 40 -8.183 -3.482 1.146 1.00 35.24 H new ATOM 0 HA GLU A 40 -9.561 -1.083 0.541 1.00 75.43 H new ATOM 0 HB2 GLU A 40 -10.159 -3.570 2.176 1.00 15.13 H new ATOM 0 HB3 GLU A 40 -11.278 -2.222 2.202 1.00 15.13 H new ATOM 0 HG2 GLU A 40 -10.394 -3.672 -0.334 1.00 42.23 H new ATOM 0 HG3 GLU A 40 -11.873 -4.019 0.539 1.00 42.23 H new ATOM 689 N GLN A 41 -8.687 -1.425 3.743 1.00 51.32 N ATOM 690 CA GLN A 41 -8.421 -0.694 5.007 1.00 2.54 C ATOM 691 C GLN A 41 -7.319 0.373 4.817 1.00 11.20 C ATOM 692 O GLN A 41 -7.401 1.467 5.373 1.00 3.42 O ATOM 693 CB GLN A 41 -8.018 -1.691 6.125 1.00 52.21 C ATOM 694 CG GLN A 41 -9.054 -2.801 6.407 1.00 11.41 C ATOM 695 CD GLN A 41 -10.428 -2.278 6.838 1.00 10.02 C ATOM 696 OE1 GLN A 41 -10.691 -2.077 8.019 1.00 65.34 O ATOM 697 NE2 GLN A 41 -11.314 -2.063 5.882 1.00 23.43 N ATOM 0 H GLN A 41 -8.488 -2.424 3.798 1.00 51.32 H new ATOM 0 HA GLN A 41 -9.337 -0.181 5.300 1.00 2.54 H new ATOM 0 HB2 GLN A 41 -7.071 -2.158 5.852 1.00 52.21 H new ATOM 0 HB3 GLN A 41 -7.845 -1.133 7.045 1.00 52.21 H new ATOM 0 HG2 GLN A 41 -9.173 -3.408 5.510 1.00 11.41 H new ATOM 0 HG3 GLN A 41 -8.666 -3.456 7.186 1.00 11.41 H new ATOM 0 HE21 GLN A 41 -11.067 -2.239 4.908 1.00 23.43 H new ATOM 0 HE22 GLN A 41 -12.246 -1.721 6.118 1.00 23.43 H new ATOM 706 N LEU A 42 -6.298 0.021 4.016 1.00 11.31 N ATOM 707 CA LEU A 42 -5.186 0.932 3.655 1.00 33.44 C ATOM 708 C LEU A 42 -5.672 2.104 2.763 1.00 60.30 C ATOM 709 O LEU A 42 -5.203 3.232 2.901 1.00 72.34 O ATOM 710 CB LEU A 42 -4.077 0.122 2.939 1.00 63.12 C ATOM 711 CG LEU A 42 -2.811 0.901 2.470 1.00 31.21 C ATOM 712 CD1 LEU A 42 -2.160 1.681 3.632 1.00 42.22 C ATOM 713 CD2 LEU A 42 -1.810 -0.059 1.791 1.00 25.42 C ATOM 0 H LEU A 42 -6.216 -0.905 3.597 1.00 11.31 H new ATOM 0 HA LEU A 42 -4.786 1.372 4.569 1.00 33.44 H new ATOM 0 HB2 LEU A 42 -3.754 -0.674 3.610 1.00 63.12 H new ATOM 0 HB3 LEU A 42 -4.520 -0.358 2.066 1.00 63.12 H new ATOM 0 HG LEU A 42 -3.121 1.641 1.732 1.00 31.21 H new ATOM 0 HD11 LEU A 42 -1.281 2.211 3.267 1.00 42.22 H new ATOM 0 HD12 LEU A 42 -2.875 2.398 4.034 1.00 42.22 H new ATOM 0 HD13 LEU A 42 -1.864 0.985 4.417 1.00 42.22 H new ATOM 0 HD21 LEU A 42 -0.931 0.500 1.469 1.00 25.42 H new ATOM 0 HD22 LEU A 42 -1.509 -0.832 2.499 1.00 25.42 H new ATOM 0 HD23 LEU A 42 -2.282 -0.524 0.925 1.00 25.42 H new ATOM 725 N ALA A 43 -6.619 1.815 1.856 1.00 32.11 N ATOM 726 CA ALA A 43 -7.218 2.832 0.954 1.00 42.12 C ATOM 727 C ALA A 43 -8.185 3.767 1.719 1.00 34.05 C ATOM 728 O ALA A 43 -8.485 4.865 1.260 1.00 34.21 O ATOM 729 CB ALA A 43 -7.936 2.145 -0.217 1.00 74.15 C ATOM 0 H ALA A 43 -6.995 0.876 1.722 1.00 32.11 H new ATOM 0 HA ALA A 43 -6.412 3.449 0.557 1.00 42.12 H new ATOM 0 HB1 ALA A 43 -8.371 2.901 -0.871 1.00 74.15 H new ATOM 0 HB2 ALA A 43 -7.221 1.545 -0.781 1.00 74.15 H new ATOM 0 HB3 ALA A 43 -8.726 1.501 0.168 1.00 74.15 H new ATOM 735 N MET A 44 -8.690 3.301 2.883 1.00 23.04 N ATOM 736 CA MET A 44 -9.462 4.152 3.824 1.00 22.31 C ATOM 737 C MET A 44 -8.503 5.029 4.665 1.00 35.33 C ATOM 738 O MET A 44 -8.803 6.189 4.943 1.00 11.54 O ATOM 739 CB MET A 44 -10.369 3.290 4.746 1.00 53.45 C ATOM 740 CG MET A 44 -11.403 2.460 3.976 1.00 14.13 C ATOM 741 SD MET A 44 -12.401 3.473 2.859 1.00 33.40 S ATOM 742 CE MET A 44 -13.357 2.227 1.992 1.00 13.12 C ATOM 0 H MET A 44 -8.578 2.337 3.197 1.00 23.04 H new ATOM 0 HA MET A 44 -10.109 4.805 3.239 1.00 22.31 H new ATOM 0 HB2 MET A 44 -9.743 2.621 5.337 1.00 53.45 H new ATOM 0 HB3 MET A 44 -10.888 3.943 5.448 1.00 53.45 H new ATOM 0 HG2 MET A 44 -10.891 1.687 3.403 1.00 14.13 H new ATOM 0 HG3 MET A 44 -12.057 1.951 4.684 1.00 14.13 H new ATOM 0 HE1 MET A 44 -14.016 2.711 1.271 1.00 13.12 H new ATOM 0 HE2 MET A 44 -12.682 1.549 1.469 1.00 13.12 H new ATOM 0 HE3 MET A 44 -13.954 1.663 2.708 1.00 13.12 H new ATOM 752 N ARG A 45 -7.344 4.443 5.058 1.00 52.12 N ATOM 753 CA ARG A 45 -6.246 5.165 5.763 1.00 75.31 C ATOM 754 C ARG A 45 -5.733 6.359 4.931 1.00 41.02 C ATOM 755 O ARG A 45 -5.620 7.476 5.428 1.00 34.03 O ATOM 756 CB ARG A 45 -5.051 4.194 6.062 1.00 44.44 C ATOM 757 CG ARG A 45 -5.279 3.182 7.209 1.00 61.44 C ATOM 758 CD ARG A 45 -5.456 3.873 8.574 1.00 62.03 C ATOM 759 NE ARG A 45 -5.410 2.923 9.707 1.00 51.12 N ATOM 760 CZ ARG A 45 -4.460 2.880 10.624 1.00 14.31 C ATOM 761 NH1 ARG A 45 -3.403 3.632 10.544 1.00 35.22 N ATOM 762 NH2 ARG A 45 -4.559 2.051 11.612 1.00 30.35 N ATOM 0 H ARG A 45 -7.141 3.457 4.897 1.00 52.12 H new ATOM 0 HA ARG A 45 -6.655 5.541 6.701 1.00 75.31 H new ATOM 0 HB2 ARG A 45 -4.822 3.639 5.152 1.00 44.44 H new ATOM 0 HB3 ARG A 45 -4.172 4.792 6.300 1.00 44.44 H new ATOM 0 HG2 ARG A 45 -6.163 2.583 6.991 1.00 61.44 H new ATOM 0 HG3 ARG A 45 -4.433 2.496 7.259 1.00 61.44 H new ATOM 0 HD2 ARG A 45 -4.674 4.622 8.701 1.00 62.03 H new ATOM 0 HD3 ARG A 45 -6.409 4.402 8.588 1.00 62.03 H new ATOM 0 HE ARG A 45 -6.171 2.249 9.786 1.00 51.12 H new ATOM 0 HH11 ARG A 45 -3.293 4.275 9.760 1.00 35.22 H new ATOM 0 HH12 ARG A 45 -2.684 3.580 11.266 1.00 35.22 H new ATOM 0 HH21 ARG A 45 -5.368 1.434 11.681 1.00 30.35 H new ATOM 0 HH22 ARG A 45 -3.828 2.014 12.322 1.00 30.35 H new ATOM 776 N THR A 46 -5.441 6.087 3.655 1.00 42.20 N ATOM 777 CA THR A 46 -4.746 7.030 2.747 1.00 14.42 C ATOM 778 C THR A 46 -5.710 7.848 1.859 1.00 32.12 C ATOM 779 O THR A 46 -5.299 8.864 1.295 1.00 33.33 O ATOM 780 CB THR A 46 -3.770 6.243 1.815 1.00 72.03 C ATOM 781 OG1 THR A 46 -4.502 5.286 1.025 1.00 63.03 O ATOM 782 CG2 THR A 46 -2.679 5.515 2.613 1.00 23.10 C ATOM 0 H THR A 46 -5.679 5.200 3.211 1.00 42.20 H new ATOM 0 HA THR A 46 -4.209 7.730 3.387 1.00 14.42 H new ATOM 0 HB THR A 46 -3.286 6.971 1.164 1.00 72.03 H new ATOM 0 HG1 THR A 46 -4.769 4.531 1.590 1.00 63.03 H new ATOM 0 HG21 THR A 46 -2.022 4.980 1.927 1.00 23.10 H new ATOM 0 HG22 THR A 46 -2.097 6.241 3.181 1.00 23.10 H new ATOM 0 HG23 THR A 46 -3.142 4.806 3.299 1.00 23.10 H new ATOM 790 N ASP A 47 -6.976 7.379 1.740 1.00 44.51 N ATOM 791 CA ASP A 47 -7.988 7.919 0.779 1.00 35.14 C ATOM 792 C ASP A 47 -7.561 7.700 -0.709 1.00 55.44 C ATOM 793 O ASP A 47 -8.029 8.401 -1.618 1.00 23.12 O ATOM 794 CB ASP A 47 -8.330 9.409 1.089 1.00 65.51 C ATOM 795 CG ASP A 47 -9.099 9.577 2.417 1.00 63.02 C ATOM 796 OD1 ASP A 47 -8.466 9.549 3.492 1.00 1.21 O ATOM 797 OD2 ASP A 47 -10.342 9.714 2.388 1.00 33.23 O ATOM 0 H ASP A 47 -7.333 6.611 2.308 1.00 44.51 H new ATOM 0 HA ASP A 47 -8.906 7.348 0.918 1.00 35.14 H new ATOM 0 HB2 ASP A 47 -7.408 9.988 1.132 1.00 65.51 H new ATOM 0 HB3 ASP A 47 -8.926 9.818 0.274 1.00 65.51 H new ATOM 802 N LEU A 48 -6.697 6.687 -0.941 1.00 21.21 N ATOM 803 CA LEU A 48 -6.278 6.261 -2.297 1.00 5.13 C ATOM 804 C LEU A 48 -7.220 5.175 -2.865 1.00 54.54 C ATOM 805 O LEU A 48 -8.105 4.681 -2.175 1.00 2.03 O ATOM 806 CB LEU A 48 -4.819 5.724 -2.264 1.00 3.20 C ATOM 807 CG LEU A 48 -3.712 6.778 -1.969 1.00 33.33 C ATOM 808 CD1 LEU A 48 -2.331 6.104 -1.776 1.00 2.30 C ATOM 809 CD2 LEU A 48 -3.670 7.854 -3.078 1.00 24.31 C ATOM 0 H LEU A 48 -6.270 6.141 -0.193 1.00 21.21 H new ATOM 0 HA LEU A 48 -6.331 7.133 -2.949 1.00 5.13 H new ATOM 0 HB2 LEU A 48 -4.758 4.941 -1.509 1.00 3.20 H new ATOM 0 HB3 LEU A 48 -4.602 5.258 -3.225 1.00 3.20 H new ATOM 0 HG LEU A 48 -3.961 7.276 -1.032 1.00 33.33 H new ATOM 0 HD11 LEU A 48 -1.579 6.866 -1.572 1.00 2.30 H new ATOM 0 HD12 LEU A 48 -2.380 5.408 -0.938 1.00 2.30 H new ATOM 0 HD13 LEU A 48 -2.061 5.562 -2.682 1.00 2.30 H new ATOM 0 HD21 LEU A 48 -2.889 8.580 -2.851 1.00 24.31 H new ATOM 0 HD22 LEU A 48 -3.458 7.380 -4.037 1.00 24.31 H new ATOM 0 HD23 LEU A 48 -4.633 8.361 -3.129 1.00 24.31 H new ATOM 821 N THR A 49 -7.007 4.828 -4.142 1.00 5.14 N ATOM 822 CA THR A 49 -7.713 3.719 -4.832 1.00 63.43 C ATOM 823 C THR A 49 -6.792 2.473 -4.882 1.00 73.12 C ATOM 824 O THR A 49 -5.563 2.622 -4.837 1.00 31.25 O ATOM 825 CB THR A 49 -8.104 4.152 -6.295 1.00 1.23 C ATOM 826 OG1 THR A 49 -8.726 5.453 -6.281 1.00 73.00 O ATOM 827 CG2 THR A 49 -9.055 3.145 -6.978 1.00 65.34 C ATOM 0 H THR A 49 -6.334 5.309 -4.739 1.00 5.14 H new ATOM 0 HA THR A 49 -8.623 3.477 -4.282 1.00 63.43 H new ATOM 0 HB THR A 49 -7.178 4.181 -6.870 1.00 1.23 H new ATOM 0 HG1 THR A 49 -8.963 5.712 -7.196 1.00 73.00 H new ATOM 0 HG21 THR A 49 -9.292 3.493 -7.984 1.00 65.34 H new ATOM 0 HG22 THR A 49 -8.572 2.170 -7.036 1.00 65.34 H new ATOM 0 HG23 THR A 49 -9.974 3.061 -6.397 1.00 65.34 H new ATOM 835 N GLU A 50 -7.379 1.257 -5.008 1.00 72.31 N ATOM 836 CA GLU A 50 -6.599 -0.002 -5.159 1.00 2.55 C ATOM 837 C GLU A 50 -5.621 0.040 -6.369 1.00 33.31 C ATOM 838 O GLU A 50 -4.656 -0.714 -6.394 1.00 23.20 O ATOM 839 CB GLU A 50 -7.535 -1.230 -5.300 1.00 55.53 C ATOM 840 CG GLU A 50 -8.363 -1.600 -4.050 1.00 14.44 C ATOM 841 CD GLU A 50 -9.094 -2.952 -4.218 1.00 2.05 C ATOM 842 OE1 GLU A 50 -10.156 -2.986 -4.875 1.00 73.22 O ATOM 843 OE2 GLU A 50 -8.572 -3.993 -3.750 1.00 51.11 O ATOM 0 H GLU A 50 -8.390 1.119 -5.008 1.00 72.31 H new ATOM 0 HA GLU A 50 -6.007 -0.098 -4.249 1.00 2.55 H new ATOM 0 HB2 GLU A 50 -8.223 -1.044 -6.125 1.00 55.53 H new ATOM 0 HB3 GLU A 50 -6.930 -2.093 -5.578 1.00 55.53 H new ATOM 0 HG2 GLU A 50 -7.706 -1.649 -3.182 1.00 14.44 H new ATOM 0 HG3 GLU A 50 -9.093 -0.815 -3.854 1.00 14.44 H new ATOM 850 N ALA A 51 -5.905 0.897 -7.373 1.00 23.44 N ATOM 851 CA ALA A 51 -4.984 1.161 -8.507 1.00 43.50 C ATOM 852 C ALA A 51 -3.635 1.733 -8.009 1.00 53.01 C ATOM 853 O ALA A 51 -2.572 1.202 -8.328 1.00 31.25 O ATOM 854 CB ALA A 51 -5.647 2.133 -9.497 1.00 13.33 C ATOM 0 H ALA A 51 -6.776 1.426 -7.423 1.00 23.44 H new ATOM 0 HA ALA A 51 -4.778 0.218 -9.013 1.00 43.50 H new ATOM 0 HB1 ALA A 51 -4.968 2.325 -10.328 1.00 13.33 H new ATOM 0 HB2 ALA A 51 -6.570 1.693 -9.876 1.00 13.33 H new ATOM 0 HB3 ALA A 51 -5.873 3.071 -8.990 1.00 13.33 H new ATOM 860 N ARG A 52 -3.709 2.807 -7.198 1.00 75.43 N ATOM 861 CA ARG A 52 -2.509 3.492 -6.641 1.00 13.02 C ATOM 862 C ARG A 52 -1.779 2.612 -5.597 1.00 51.32 C ATOM 863 O ARG A 52 -0.549 2.650 -5.499 1.00 63.13 O ATOM 864 CB ARG A 52 -2.902 4.879 -6.033 1.00 24.24 C ATOM 865 CG ARG A 52 -2.993 6.045 -7.056 1.00 12.41 C ATOM 866 CD ARG A 52 -4.085 5.851 -8.130 1.00 33.51 C ATOM 867 NE ARG A 52 -3.986 6.858 -9.208 1.00 34.41 N ATOM 868 CZ ARG A 52 -4.883 7.781 -9.490 1.00 54.44 C ATOM 869 NH1 ARG A 52 -5.962 7.926 -8.786 1.00 45.55 N ATOM 870 NH2 ARG A 52 -4.677 8.580 -10.484 1.00 44.53 N ATOM 0 H ARG A 52 -4.592 3.227 -6.908 1.00 75.43 H new ATOM 0 HA ARG A 52 -1.812 3.661 -7.462 1.00 13.02 H new ATOM 0 HB2 ARG A 52 -3.865 4.779 -5.533 1.00 24.24 H new ATOM 0 HB3 ARG A 52 -2.172 5.143 -5.268 1.00 24.24 H new ATOM 0 HG2 ARG A 52 -3.187 6.973 -6.518 1.00 12.41 H new ATOM 0 HG3 ARG A 52 -2.028 6.158 -7.550 1.00 12.41 H new ATOM 0 HD2 ARG A 52 -3.999 4.852 -8.558 1.00 33.51 H new ATOM 0 HD3 ARG A 52 -5.068 5.915 -7.663 1.00 33.51 H new ATOM 0 HE ARG A 52 -3.146 6.836 -9.787 1.00 34.41 H new ATOM 0 HH11 ARG A 52 -6.136 7.316 -7.988 1.00 45.55 H new ATOM 0 HH12 ARG A 52 -6.637 8.651 -9.031 1.00 45.55 H new ATOM 0 HH21 ARG A 52 -3.827 8.492 -11.041 1.00 44.53 H new ATOM 0 HH22 ARG A 52 -5.364 9.298 -10.712 1.00 44.53 H new ATOM 884 N VAL A 53 -2.555 1.828 -4.828 1.00 4.33 N ATOM 885 CA VAL A 53 -2.007 0.862 -3.847 1.00 45.25 C ATOM 886 C VAL A 53 -1.262 -0.289 -4.578 1.00 3.12 C ATOM 887 O VAL A 53 -0.176 -0.705 -4.161 1.00 20.53 O ATOM 888 CB VAL A 53 -3.144 0.290 -2.913 1.00 30.03 C ATOM 889 CG1 VAL A 53 -2.579 -0.720 -1.880 1.00 33.44 C ATOM 890 CG2 VAL A 53 -3.916 1.439 -2.197 1.00 21.33 C ATOM 0 H VAL A 53 -3.574 1.842 -4.865 1.00 4.33 H new ATOM 0 HA VAL A 53 -1.293 1.390 -3.215 1.00 45.25 H new ATOM 0 HB VAL A 53 -3.848 -0.246 -3.550 1.00 30.03 H new ATOM 0 HG11 VAL A 53 -3.390 -1.093 -1.254 1.00 33.44 H new ATOM 0 HG12 VAL A 53 -2.112 -1.554 -2.404 1.00 33.44 H new ATOM 0 HG13 VAL A 53 -1.837 -0.224 -1.254 1.00 33.44 H new ATOM 0 HG21 VAL A 53 -4.693 1.014 -1.561 1.00 21.33 H new ATOM 0 HG22 VAL A 53 -3.223 2.018 -1.586 1.00 21.33 H new ATOM 0 HG23 VAL A 53 -4.373 2.090 -2.942 1.00 21.33 H new ATOM 900 N GLN A 54 -1.845 -0.772 -5.697 1.00 14.24 N ATOM 901 CA GLN A 54 -1.231 -1.851 -6.517 1.00 32.21 C ATOM 902 C GLN A 54 0.111 -1.384 -7.122 1.00 64.54 C ATOM 903 O GLN A 54 1.132 -2.034 -6.913 1.00 31.10 O ATOM 904 CB GLN A 54 -2.185 -2.333 -7.652 1.00 44.42 C ATOM 905 CG GLN A 54 -1.607 -3.476 -8.527 1.00 23.41 C ATOM 906 CD GLN A 54 -2.556 -3.955 -9.626 1.00 30.44 C ATOM 907 OE1 GLN A 54 -2.553 -3.445 -10.742 1.00 50.04 O ATOM 908 NE2 GLN A 54 -3.364 -4.949 -9.325 1.00 31.42 N ATOM 0 H GLN A 54 -2.738 -0.435 -6.056 1.00 14.24 H new ATOM 0 HA GLN A 54 -1.048 -2.694 -5.850 1.00 32.21 H new ATOM 0 HB2 GLN A 54 -3.121 -2.670 -7.206 1.00 44.42 H new ATOM 0 HB3 GLN A 54 -2.425 -1.485 -8.294 1.00 44.42 H new ATOM 0 HG2 GLN A 54 -0.678 -3.136 -8.985 1.00 23.41 H new ATOM 0 HG3 GLN A 54 -1.355 -4.320 -7.885 1.00 23.41 H new ATOM 0 HE21 GLN A 54 -3.346 -5.355 -8.390 1.00 31.42 H new ATOM 0 HE22 GLN A 54 -4.008 -5.313 -10.027 1.00 31.42 H new ATOM 917 N VAL A 55 0.088 -0.242 -7.844 1.00 35.40 N ATOM 918 CA VAL A 55 1.286 0.328 -8.524 1.00 20.52 C ATOM 919 C VAL A 55 2.449 0.590 -7.534 1.00 2.15 C ATOM 920 O VAL A 55 3.615 0.318 -7.860 1.00 53.52 O ATOM 921 CB VAL A 55 0.923 1.646 -9.312 1.00 4.34 C ATOM 922 CG1 VAL A 55 2.177 2.342 -9.921 1.00 1.21 C ATOM 923 CG2 VAL A 55 -0.121 1.344 -10.416 1.00 43.21 C ATOM 0 H VAL A 55 -0.757 0.314 -7.975 1.00 35.40 H new ATOM 0 HA VAL A 55 1.626 -0.420 -9.240 1.00 20.52 H new ATOM 0 HB VAL A 55 0.493 2.342 -8.592 1.00 4.34 H new ATOM 0 HG11 VAL A 55 1.871 3.243 -10.452 1.00 1.21 H new ATOM 0 HG12 VAL A 55 2.869 2.609 -9.122 1.00 1.21 H new ATOM 0 HG13 VAL A 55 2.670 1.661 -10.615 1.00 1.21 H new ATOM 0 HG21 VAL A 55 -0.361 2.263 -10.951 1.00 43.21 H new ATOM 0 HG22 VAL A 55 0.289 0.614 -11.114 1.00 43.21 H new ATOM 0 HG23 VAL A 55 -1.026 0.942 -9.961 1.00 43.21 H new ATOM 933 N TRP A 56 2.126 1.096 -6.319 1.00 22.32 N ATOM 934 CA TRP A 56 3.145 1.354 -5.277 1.00 20.54 C ATOM 935 C TRP A 56 3.829 0.032 -4.845 1.00 13.14 C ATOM 936 O TRP A 56 5.040 -0.093 -4.954 1.00 34.12 O ATOM 937 CB TRP A 56 2.544 2.075 -4.036 1.00 22.30 C ATOM 938 CG TRP A 56 3.599 2.620 -3.074 1.00 30.12 C ATOM 939 CD1 TRP A 56 4.201 3.851 -3.135 1.00 31.41 C ATOM 940 CD2 TRP A 56 4.181 1.957 -1.929 1.00 14.40 C ATOM 941 NE1 TRP A 56 5.097 3.993 -2.108 1.00 21.25 N ATOM 942 CE2 TRP A 56 5.106 2.853 -1.355 1.00 4.31 C ATOM 943 CE3 TRP A 56 4.009 0.704 -1.333 1.00 72.33 C ATOM 944 CZ2 TRP A 56 5.854 2.534 -0.222 1.00 30.21 C ATOM 945 CZ3 TRP A 56 4.748 0.386 -0.208 1.00 52.12 C ATOM 946 CH2 TRP A 56 5.661 1.298 0.340 1.00 11.21 C ATOM 0 H TRP A 56 1.174 1.332 -6.039 1.00 22.32 H new ATOM 0 HA TRP A 56 3.890 2.018 -5.715 1.00 20.54 H new ATOM 0 HB2 TRP A 56 1.913 2.897 -4.374 1.00 22.30 H new ATOM 0 HB3 TRP A 56 1.900 1.379 -3.499 1.00 22.30 H new ATOM 0 HD1 TRP A 56 3.998 4.601 -3.885 1.00 31.41 H new ATOM 0 HE1 TRP A 56 5.668 4.820 -1.933 1.00 21.25 H new ATOM 0 HE3 TRP A 56 3.308 -0.006 -1.746 1.00 72.33 H new ATOM 0 HZ2 TRP A 56 6.560 3.235 0.198 1.00 30.21 H new ATOM 0 HZ3 TRP A 56 4.620 -0.581 0.256 1.00 52.12 H new ATOM 0 HH2 TRP A 56 6.222 1.022 1.220 1.00 11.21 H new ATOM 957 N PHE A 57 3.024 -0.952 -4.383 1.00 61.22 N ATOM 958 CA PHE A 57 3.528 -2.261 -3.876 1.00 33.12 C ATOM 959 C PHE A 57 4.236 -3.112 -4.968 1.00 64.13 C ATOM 960 O PHE A 57 5.199 -3.821 -4.664 1.00 30.22 O ATOM 961 CB PHE A 57 2.367 -3.074 -3.230 1.00 23.55 C ATOM 962 CG PHE A 57 1.996 -2.647 -1.809 1.00 52.34 C ATOM 963 CD1 PHE A 57 1.236 -1.506 -1.567 1.00 72.13 C ATOM 964 CD2 PHE A 57 2.407 -3.401 -0.712 1.00 43.33 C ATOM 965 CE1 PHE A 57 0.901 -1.135 -0.283 1.00 72.22 C ATOM 966 CE2 PHE A 57 2.069 -3.029 0.571 1.00 44.13 C ATOM 967 CZ PHE A 57 1.317 -1.896 0.783 1.00 11.15 C ATOM 0 H PHE A 57 2.008 -0.867 -4.349 1.00 61.22 H new ATOM 0 HA PHE A 57 4.282 -2.031 -3.123 1.00 33.12 H new ATOM 0 HB2 PHE A 57 1.484 -2.985 -3.863 1.00 23.55 H new ATOM 0 HB3 PHE A 57 2.644 -4.128 -3.217 1.00 23.55 H new ATOM 0 HD1 PHE A 57 0.904 -0.902 -2.399 1.00 72.13 H new ATOM 0 HD2 PHE A 57 2.999 -4.290 -0.869 1.00 43.33 H new ATOM 0 HE1 PHE A 57 0.311 -0.246 -0.114 1.00 72.22 H new ATOM 0 HE2 PHE A 57 2.394 -3.626 1.410 1.00 44.13 H new ATOM 0 HZ PHE A 57 1.053 -1.604 1.789 1.00 11.15 H new ATOM 977 N GLN A 58 3.747 -3.053 -6.222 1.00 43.21 N ATOM 978 CA GLN A 58 4.358 -3.784 -7.368 1.00 51.44 C ATOM 979 C GLN A 58 5.760 -3.229 -7.691 1.00 34.51 C ATOM 980 O GLN A 58 6.735 -3.984 -7.793 1.00 14.04 O ATOM 981 CB GLN A 58 3.451 -3.694 -8.637 1.00 24.53 C ATOM 982 CG GLN A 58 2.155 -4.527 -8.585 1.00 23.10 C ATOM 983 CD GLN A 58 2.410 -6.036 -8.520 1.00 1.14 C ATOM 984 OE1 GLN A 58 2.549 -6.701 -9.542 1.00 74.15 O ATOM 985 NE2 GLN A 58 2.453 -6.587 -7.328 1.00 11.20 N ATOM 0 H GLN A 58 2.925 -2.505 -6.476 1.00 43.21 H new ATOM 0 HA GLN A 58 4.452 -4.830 -7.077 1.00 51.44 H new ATOM 0 HB2 GLN A 58 3.185 -2.649 -8.799 1.00 24.53 H new ATOM 0 HB3 GLN A 58 4.033 -4.013 -9.502 1.00 24.53 H new ATOM 0 HG2 GLN A 58 1.572 -4.226 -7.715 1.00 23.10 H new ATOM 0 HG3 GLN A 58 1.552 -4.304 -9.465 1.00 23.10 H new ATOM 0 HE21 GLN A 58 2.334 -6.010 -6.495 1.00 11.20 H new ATOM 0 HE22 GLN A 58 2.605 -7.591 -7.236 1.00 11.20 H new ATOM 994 N ASN A 59 5.834 -1.897 -7.836 1.00 42.30 N ATOM 995 CA ASN A 59 7.090 -1.189 -8.163 1.00 65.43 C ATOM 996 C ASN A 59 8.082 -1.276 -6.970 1.00 32.25 C ATOM 997 O ASN A 59 9.284 -1.419 -7.163 1.00 20.12 O ATOM 998 CB ASN A 59 6.776 0.292 -8.532 1.00 51.21 C ATOM 999 CG ASN A 59 7.857 0.979 -9.383 1.00 31.10 C ATOM 1000 OD1 ASN A 59 9.032 0.638 -9.336 1.00 4.04 O ATOM 1001 ND2 ASN A 59 7.455 1.955 -10.178 1.00 21.32 N ATOM 0 H ASN A 59 5.030 -1.278 -7.731 1.00 42.30 H new ATOM 0 HA ASN A 59 7.562 -1.664 -9.023 1.00 65.43 H new ATOM 0 HB2 ASN A 59 5.830 0.326 -9.072 1.00 51.21 H new ATOM 0 HB3 ASN A 59 6.639 0.861 -7.613 1.00 51.21 H new ATOM 0 HD21 ASN A 59 8.129 2.441 -10.769 1.00 21.32 H new ATOM 0 HD22 ASN A 59 6.471 2.222 -10.200 1.00 21.32 H new ATOM 1008 N ARG A 60 7.533 -1.232 -5.737 1.00 44.31 N ATOM 1009 CA ARG A 60 8.322 -1.302 -4.481 1.00 40.41 C ATOM 1010 C ARG A 60 8.964 -2.700 -4.310 1.00 14.23 C ATOM 1011 O ARG A 60 10.086 -2.807 -3.834 1.00 53.32 O ATOM 1012 CB ARG A 60 7.421 -0.974 -3.255 1.00 65.15 C ATOM 1013 CG ARG A 60 8.176 -0.687 -1.938 1.00 54.51 C ATOM 1014 CD ARG A 60 9.001 0.607 -1.995 1.00 74.10 C ATOM 1015 NE ARG A 60 9.677 0.887 -0.717 1.00 71.43 N ATOM 1016 CZ ARG A 60 9.970 2.081 -0.247 1.00 5.44 C ATOM 1017 NH1 ARG A 60 9.633 3.170 -0.880 1.00 62.31 N ATOM 1018 NH2 ARG A 60 10.594 2.176 0.874 1.00 2.23 N ATOM 0 H ARG A 60 6.529 -1.147 -5.581 1.00 44.31 H new ATOM 0 HA ARG A 60 9.120 -0.562 -4.541 1.00 40.41 H new ATOM 0 HB2 ARG A 60 6.806 -0.107 -3.498 1.00 65.15 H new ATOM 0 HB3 ARG A 60 6.742 -1.810 -3.090 1.00 65.15 H new ATOM 0 HG2 ARG A 60 7.458 -0.619 -1.120 1.00 54.51 H new ATOM 0 HG3 ARG A 60 8.837 -1.524 -1.713 1.00 54.51 H new ATOM 0 HD2 ARG A 60 9.744 0.529 -2.789 1.00 74.10 H new ATOM 0 HD3 ARG A 60 8.349 1.442 -2.251 1.00 74.10 H new ATOM 0 HE ARG A 60 9.942 0.085 -0.145 1.00 71.43 H new ATOM 0 HH11 ARG A 60 9.128 3.110 -1.764 1.00 62.31 H new ATOM 0 HH12 ARG A 60 9.874 4.081 -0.491 1.00 62.31 H new ATOM 0 HH21 ARG A 60 10.855 1.333 1.386 1.00 2.23 H new ATOM 0 HH22 ARG A 60 10.828 3.094 1.251 1.00 2.23 H new ATOM 1032 N ARG A 61 8.222 -3.764 -4.699 1.00 64.31 N ATOM 1033 CA ARG A 61 8.735 -5.163 -4.707 1.00 22.12 C ATOM 1034 C ARG A 61 9.743 -5.404 -5.862 1.00 1.12 C ATOM 1035 O ARG A 61 10.642 -6.247 -5.739 1.00 74.31 O ATOM 1036 CB ARG A 61 7.551 -6.185 -4.756 1.00 21.14 C ATOM 1037 CG ARG A 61 6.941 -6.512 -3.368 1.00 30.42 C ATOM 1038 CD ARG A 61 5.665 -7.373 -3.446 1.00 51.53 C ATOM 1039 NE ARG A 61 4.475 -6.586 -3.825 1.00 13.02 N ATOM 1040 CZ ARG A 61 3.332 -7.091 -4.235 1.00 12.01 C ATOM 1041 NH1 ARG A 61 3.225 -8.342 -4.553 1.00 13.53 N ATOM 1042 NH2 ARG A 61 2.312 -6.313 -4.386 1.00 41.24 N ATOM 0 H ARG A 61 7.256 -3.682 -5.015 1.00 64.31 H new ATOM 0 HA ARG A 61 9.280 -5.321 -3.776 1.00 22.12 H new ATOM 0 HB2 ARG A 61 6.768 -5.787 -5.401 1.00 21.14 H new ATOM 0 HB3 ARG A 61 7.902 -7.110 -5.214 1.00 21.14 H new ATOM 0 HG2 ARG A 61 7.685 -7.033 -2.766 1.00 30.42 H new ATOM 0 HG3 ARG A 61 6.710 -5.580 -2.852 1.00 30.42 H new ATOM 0 HD2 ARG A 61 5.814 -8.173 -4.171 1.00 51.53 H new ATOM 0 HD3 ARG A 61 5.491 -7.847 -2.480 1.00 51.53 H new ATOM 0 HE ARG A 61 4.545 -5.570 -3.764 1.00 13.02 H new ATOM 0 HH11 ARG A 61 4.037 -8.956 -4.488 1.00 13.53 H new ATOM 0 HH12 ARG A 61 2.329 -8.713 -4.869 1.00 13.53 H new ATOM 0 HH21 ARG A 61 2.397 -5.316 -4.188 1.00 41.24 H new ATOM 0 HH22 ARG A 61 1.421 -6.696 -4.704 1.00 41.24 H new ATOM 1056 N ALA A 62 9.588 -4.655 -6.969 1.00 23.31 N ATOM 1057 CA ALA A 62 10.569 -4.654 -8.084 1.00 34.43 C ATOM 1058 C ALA A 62 11.905 -3.988 -7.654 1.00 1.01 C ATOM 1059 O ALA A 62 12.976 -4.323 -8.166 1.00 53.12 O ATOM 1060 CB ALA A 62 9.968 -3.949 -9.307 1.00 64.01 C ATOM 0 H ALA A 62 8.790 -4.038 -7.121 1.00 23.31 H new ATOM 0 HA ALA A 62 10.793 -5.687 -8.352 1.00 34.43 H new ATOM 0 HB1 ALA A 62 10.693 -3.952 -10.121 1.00 64.01 H new ATOM 0 HB2 ALA A 62 9.066 -4.473 -9.622 1.00 64.01 H new ATOM 0 HB3 ALA A 62 9.718 -2.920 -9.048 1.00 64.01 H new ATOM 1066 N LYS A 63 11.815 -3.020 -6.728 1.00 62.22 N ATOM 1067 CA LYS A 63 12.987 -2.376 -6.091 1.00 31.04 C ATOM 1068 C LYS A 63 13.514 -3.207 -4.888 1.00 21.44 C ATOM 1069 O LYS A 63 14.713 -3.180 -4.585 1.00 24.30 O ATOM 1070 CB LYS A 63 12.602 -0.954 -5.608 1.00 0.35 C ATOM 1071 CG LYS A 63 12.053 -0.015 -6.707 1.00 43.54 C ATOM 1072 CD LYS A 63 11.543 1.323 -6.127 1.00 22.13 C ATOM 1073 CE LYS A 63 10.906 2.227 -7.192 1.00 62.41 C ATOM 1074 NZ LYS A 63 11.839 2.517 -8.308 1.00 21.24 N ATOM 0 H LYS A 63 10.923 -2.656 -6.394 1.00 62.22 H new ATOM 0 HA LYS A 63 13.782 -2.317 -6.835 1.00 31.04 H new ATOM 0 HB2 LYS A 63 11.853 -1.045 -4.822 1.00 0.35 H new ATOM 0 HB3 LYS A 63 13.480 -0.489 -5.160 1.00 0.35 H new ATOM 0 HG2 LYS A 63 12.836 0.183 -7.439 1.00 43.54 H new ATOM 0 HG3 LYS A 63 11.241 -0.513 -7.236 1.00 43.54 H new ATOM 0 HD2 LYS A 63 10.812 1.120 -5.345 1.00 22.13 H new ATOM 0 HD3 LYS A 63 12.373 1.851 -5.658 1.00 22.13 H new ATOM 0 HE2 LYS A 63 10.009 1.747 -7.585 1.00 62.41 H new ATOM 0 HE3 LYS A 63 10.591 3.163 -6.731 1.00 62.41 H new ATOM 0 HZ1 LYS A 63 11.413 3.223 -8.942 1.00 21.24 H new ATOM 0 HZ2 LYS A 63 12.732 2.889 -7.926 1.00 21.24 H new ATOM 0 HZ3 LYS A 63 12.027 1.643 -8.839 1.00 21.24 H new ATOM 1088 N TRP A 64 12.595 -3.931 -4.202 1.00 53.21 N ATOM 1089 CA TRP A 64 12.890 -4.656 -2.938 1.00 21.50 C ATOM 1090 C TRP A 64 13.888 -5.809 -3.172 1.00 73.54 C ATOM 1091 O TRP A 64 14.848 -5.964 -2.414 1.00 51.32 O ATOM 1092 CB TRP A 64 11.568 -5.170 -2.303 1.00 0.41 C ATOM 1093 CG TRP A 64 11.720 -5.796 -0.934 1.00 3.34 C ATOM 1094 CD1 TRP A 64 11.889 -5.149 0.261 1.00 44.05 C ATOM 1095 CD2 TRP A 64 11.706 -7.194 -0.627 1.00 74.04 C ATOM 1096 NE1 TRP A 64 11.981 -6.061 1.279 1.00 44.04 N ATOM 1097 CE2 TRP A 64 11.878 -7.322 0.759 1.00 53.02 C ATOM 1098 CE3 TRP A 64 11.578 -8.342 -1.404 1.00 74.30 C ATOM 1099 CZ2 TRP A 64 11.907 -8.559 1.395 1.00 33.34 C ATOM 1100 CZ3 TRP A 64 11.607 -9.574 -0.779 1.00 73.04 C ATOM 1101 CH2 TRP A 64 11.777 -9.675 0.612 1.00 51.15 C ATOM 0 H TRP A 64 11.627 -4.029 -4.509 1.00 53.21 H new ATOM 0 HA TRP A 64 13.362 -3.963 -2.242 1.00 21.50 H new ATOM 0 HB2 TRP A 64 10.869 -4.337 -2.230 1.00 0.41 H new ATOM 0 HB3 TRP A 64 11.121 -5.903 -2.974 1.00 0.41 H new ATOM 0 HD1 TRP A 64 11.942 -4.077 0.383 1.00 44.05 H new ATOM 0 HE1 TRP A 64 12.106 -5.836 2.266 1.00 44.04 H new ATOM 0 HE3 TRP A 64 11.458 -8.271 -2.475 1.00 74.30 H new ATOM 0 HZ2 TRP A 64 12.027 -8.636 2.465 1.00 33.34 H new ATOM 0 HZ3 TRP A 64 11.497 -10.472 -1.368 1.00 73.04 H new ATOM 0 HH2 TRP A 64 11.806 -10.651 1.073 1.00 51.15 H new ATOM 1112 N ARG A 65 13.657 -6.615 -4.224 1.00 74.32 N ATOM 1113 CA ARG A 65 14.633 -7.646 -4.651 1.00 72.14 C ATOM 1114 C ARG A 65 15.746 -6.984 -5.513 1.00 24.51 C ATOM 1115 O ARG A 65 15.576 -5.857 -6.001 1.00 43.02 O ATOM 1116 CB ARG A 65 13.934 -8.785 -5.439 1.00 41.04 C ATOM 1117 CG ARG A 65 12.672 -9.364 -4.757 1.00 71.45 C ATOM 1118 CD ARG A 65 12.041 -10.511 -5.568 1.00 61.33 C ATOM 1119 NE ARG A 65 11.758 -10.131 -6.971 1.00 11.13 N ATOM 1120 CZ ARG A 65 11.253 -10.924 -7.889 1.00 3.21 C ATOM 1121 NH1 ARG A 65 10.844 -12.124 -7.596 1.00 50.31 N ATOM 1122 NH2 ARG A 65 11.130 -10.496 -9.099 1.00 0.21 N ATOM 0 H ARG A 65 12.811 -6.577 -4.793 1.00 74.32 H new ATOM 0 HA ARG A 65 15.084 -8.090 -3.763 1.00 72.14 H new ATOM 0 HB2 ARG A 65 13.658 -8.410 -6.424 1.00 41.04 H new ATOM 0 HB3 ARG A 65 14.649 -9.593 -5.594 1.00 41.04 H new ATOM 0 HG2 ARG A 65 12.933 -9.726 -3.763 1.00 71.45 H new ATOM 0 HG3 ARG A 65 11.937 -8.570 -4.624 1.00 71.45 H new ATOM 0 HD2 ARG A 65 12.712 -11.370 -5.557 1.00 61.33 H new ATOM 0 HD3 ARG A 65 11.114 -10.824 -5.087 1.00 61.33 H new ATOM 0 HE ARG A 65 11.973 -9.173 -7.248 1.00 11.13 H new ATOM 0 HH11 ARG A 65 10.912 -12.466 -6.638 1.00 50.31 H new ATOM 0 HH12 ARG A 65 10.455 -12.722 -8.325 1.00 50.31 H new ATOM 0 HH21 ARG A 65 11.424 -9.549 -9.337 1.00 0.21 H new ATOM 0 HH22 ARG A 65 10.739 -11.105 -9.818 1.00 0.21 H new ATOM 1136 N LYS A 66 16.864 -7.693 -5.715 1.00 34.15 N ATOM 1137 CA LYS A 66 18.081 -7.116 -6.340 1.00 65.14 C ATOM 1138 C LYS A 66 17.957 -6.972 -7.883 1.00 72.21 C ATOM 1139 O LYS A 66 18.424 -7.819 -8.654 1.00 4.25 O ATOM 1140 CB LYS A 66 19.326 -7.950 -5.932 1.00 53.53 C ATOM 1141 CG LYS A 66 19.561 -7.980 -4.407 1.00 63.52 C ATOM 1142 CD LYS A 66 20.806 -8.790 -3.985 1.00 64.55 C ATOM 1143 CE LYS A 66 21.017 -8.760 -2.460 1.00 1.41 C ATOM 1144 NZ LYS A 66 22.215 -9.516 -2.029 1.00 13.10 N ATOM 0 H LYS A 66 16.960 -8.675 -5.456 1.00 34.15 H new ATOM 0 HA LYS A 66 18.200 -6.100 -5.963 1.00 65.14 H new ATOM 0 HB2 LYS A 66 19.207 -8.971 -6.295 1.00 53.53 H new ATOM 0 HB3 LYS A 66 20.208 -7.538 -6.422 1.00 53.53 H new ATOM 0 HG2 LYS A 66 19.664 -6.957 -4.044 1.00 63.52 H new ATOM 0 HG3 LYS A 66 18.682 -8.403 -3.921 1.00 63.52 H new ATOM 0 HD2 LYS A 66 20.698 -9.823 -4.317 1.00 64.55 H new ATOM 0 HD3 LYS A 66 21.688 -8.386 -4.482 1.00 64.55 H new ATOM 0 HE2 LYS A 66 21.109 -7.725 -2.131 1.00 1.41 H new ATOM 0 HE3 LYS A 66 20.136 -9.173 -1.968 1.00 1.41 H new ATOM 0 HZ1 LYS A 66 22.307 -9.461 -0.994 1.00 13.10 H new ATOM 0 HZ2 LYS A 66 22.119 -10.511 -2.316 1.00 13.10 H new ATOM 0 HZ3 LYS A 66 23.062 -9.108 -2.474 1.00 13.10 H new ATOM 1158 N ARG A 67 17.267 -5.893 -8.302 1.00 3.41 N ATOM 1159 CA ARG A 67 17.164 -5.455 -9.713 1.00 44.53 C ATOM 1160 C ARG A 67 18.108 -4.253 -9.949 1.00 23.11 C ATOM 1161 O ARG A 67 18.037 -3.248 -9.229 1.00 64.02 O ATOM 1162 CB ARG A 67 15.683 -5.080 -10.062 1.00 34.42 C ATOM 1163 CG ARG A 67 15.493 -4.290 -11.390 1.00 21.04 C ATOM 1164 CD ARG A 67 14.010 -4.052 -11.752 1.00 61.25 C ATOM 1165 NE ARG A 67 13.364 -5.274 -12.263 1.00 42.44 N ATOM 1166 CZ ARG A 67 12.142 -5.349 -12.747 1.00 64.24 C ATOM 1167 NH1 ARG A 67 11.345 -4.324 -12.734 1.00 44.40 N ATOM 1168 NH2 ARG A 67 11.730 -6.462 -13.256 1.00 1.21 N ATOM 0 H ARG A 67 16.755 -5.288 -7.659 1.00 3.41 H new ATOM 0 HA ARG A 67 17.465 -6.273 -10.368 1.00 44.53 H new ATOM 0 HB2 ARG A 67 15.096 -5.997 -10.117 1.00 34.42 H new ATOM 0 HB3 ARG A 67 15.273 -4.488 -9.244 1.00 34.42 H new ATOM 0 HG2 ARG A 67 15.999 -3.328 -11.308 1.00 21.04 H new ATOM 0 HG3 ARG A 67 15.975 -4.835 -12.201 1.00 21.04 H new ATOM 0 HD2 ARG A 67 13.474 -3.700 -10.871 1.00 61.25 H new ATOM 0 HD3 ARG A 67 13.942 -3.265 -12.503 1.00 61.25 H new ATOM 0 HE ARG A 67 13.910 -6.135 -12.240 1.00 42.44 H new ATOM 0 HH11 ARG A 67 11.662 -3.437 -12.343 1.00 44.40 H new ATOM 0 HH12 ARG A 67 10.402 -4.406 -13.115 1.00 44.40 H new ATOM 0 HH21 ARG A 67 12.349 -7.272 -13.280 1.00 1.21 H new ATOM 0 HH22 ARG A 67 10.785 -6.531 -13.634 1.00 1.21 H new ATOM 1182 N GLU A 68 18.999 -4.371 -10.950 1.00 14.14 N ATOM 1183 CA GLU A 68 19.961 -3.304 -11.308 1.00 62.52 C ATOM 1184 C GLU A 68 19.367 -2.352 -12.379 1.00 50.21 C ATOM 1185 O GLU A 68 19.249 -1.141 -12.150 1.00 71.12 O ATOM 1186 CB GLU A 68 21.287 -3.939 -11.818 1.00 34.43 C ATOM 1187 CG GLU A 68 22.388 -2.929 -12.202 1.00 11.43 C ATOM 1188 CD GLU A 68 23.659 -3.606 -12.740 1.00 73.35 C ATOM 1189 OE1 GLU A 68 24.520 -4.020 -11.932 1.00 51.41 O ATOM 1190 OE2 GLU A 68 23.799 -3.737 -13.975 1.00 1.43 O ATOM 0 H GLU A 68 19.075 -5.204 -11.534 1.00 14.14 H new ATOM 0 HA GLU A 68 20.168 -2.712 -10.416 1.00 62.52 H new ATOM 0 HB2 GLU A 68 21.676 -4.601 -11.045 1.00 34.43 H new ATOM 0 HB3 GLU A 68 21.065 -4.559 -12.686 1.00 34.43 H new ATOM 0 HG2 GLU A 68 21.999 -2.245 -12.957 1.00 11.43 H new ATOM 0 HG3 GLU A 68 22.644 -2.329 -11.329 1.00 11.43 H new ATOM 1197 N ARG A 69 18.980 -2.917 -13.542 1.00 73.04 N ATOM 1198 CA ARG A 69 18.539 -2.130 -14.721 1.00 44.14 C ATOM 1199 C ARG A 69 17.469 -2.888 -15.555 1.00 24.41 C ATOM 1200 O ARG A 69 16.539 -2.269 -16.099 1.00 42.04 O ATOM 1201 CB ARG A 69 19.772 -1.791 -15.601 1.00 30.31 C ATOM 1202 CG ARG A 69 19.478 -0.871 -16.811 1.00 74.33 C ATOM 1203 CD ARG A 69 20.744 -0.523 -17.616 1.00 13.31 C ATOM 1204 NE ARG A 69 21.362 -1.712 -18.252 1.00 65.41 N ATOM 1205 CZ ARG A 69 22.623 -2.079 -18.155 1.00 44.44 C ATOM 1206 NH1 ARG A 69 23.449 -1.476 -17.355 1.00 43.31 N ATOM 1207 NH2 ARG A 69 23.054 -3.087 -18.842 1.00 22.14 N ATOM 0 H ARG A 69 18.963 -3.926 -13.693 1.00 73.04 H new ATOM 0 HA ARG A 69 18.075 -1.210 -14.365 1.00 44.14 H new ATOM 0 HB2 ARG A 69 20.526 -1.314 -14.975 1.00 30.31 H new ATOM 0 HB3 ARG A 69 20.205 -2.722 -15.968 1.00 30.31 H new ATOM 0 HG2 ARG A 69 18.758 -1.360 -17.467 1.00 74.33 H new ATOM 0 HG3 ARG A 69 19.013 0.049 -16.458 1.00 74.33 H new ATOM 0 HD2 ARG A 69 20.491 0.206 -18.386 1.00 13.31 H new ATOM 0 HD3 ARG A 69 21.471 -0.050 -16.956 1.00 13.31 H new ATOM 0 HE ARG A 69 20.752 -2.302 -18.818 1.00 65.41 H new ATOM 0 HH11 ARG A 69 23.126 -0.697 -16.781 1.00 43.31 H new ATOM 0 HH12 ARG A 69 24.421 -1.782 -17.300 1.00 43.31 H new ATOM 0 HH21 ARG A 69 22.418 -3.595 -19.456 1.00 22.14 H new ATOM 0 HH22 ARG A 69 24.030 -3.374 -18.769 1.00 22.14 H new ATOM 1221 N PHE A 70 17.628 -4.224 -15.660 1.00 44.41 N ATOM 1222 CA PHE A 70 16.718 -5.101 -16.437 1.00 54.41 C ATOM 1223 C PHE A 70 15.266 -5.041 -15.896 1.00 23.12 C ATOM 1224 O PHE A 70 15.026 -5.283 -14.711 1.00 61.00 O ATOM 1225 CB PHE A 70 17.253 -6.556 -16.422 1.00 35.55 C ATOM 1226 CG PHE A 70 16.388 -7.566 -17.181 1.00 2.02 C ATOM 1227 CD1 PHE A 70 16.273 -7.506 -18.572 1.00 22.40 C ATOM 1228 CD2 PHE A 70 15.676 -8.561 -16.503 1.00 62.42 C ATOM 1229 CE1 PHE A 70 15.486 -8.414 -19.260 1.00 60.24 C ATOM 1230 CE2 PHE A 70 14.890 -9.466 -17.193 1.00 63.31 C ATOM 1231 CZ PHE A 70 14.792 -9.390 -18.570 1.00 15.34 C ATOM 0 H PHE A 70 18.391 -4.729 -15.209 1.00 44.41 H new ATOM 0 HA PHE A 70 16.692 -4.741 -17.466 1.00 54.41 H new ATOM 0 HB2 PHE A 70 18.256 -6.564 -16.849 1.00 35.55 H new ATOM 0 HB3 PHE A 70 17.345 -6.884 -15.387 1.00 35.55 H new ATOM 0 HD1 PHE A 70 16.805 -6.741 -19.118 1.00 22.40 H new ATOM 0 HD2 PHE A 70 15.741 -8.623 -15.427 1.00 62.42 H new ATOM 0 HE1 PHE A 70 15.414 -8.360 -20.336 1.00 60.24 H new ATOM 0 HE2 PHE A 70 14.352 -10.233 -16.656 1.00 63.31 H new ATOM 0 HZ PHE A 70 14.173 -10.094 -19.107 1.00 15.34 H new ATOM 1241 N GLY A 71 14.314 -4.749 -16.799 1.00 24.14 N ATOM 1242 CA GLY A 71 12.908 -4.497 -16.439 1.00 34.53 C ATOM 1243 C GLY A 71 12.412 -3.128 -16.917 1.00 43.24 C ATOM 1244 O GLY A 71 11.381 -2.633 -16.443 1.00 70.43 O ATOM 0 H GLY A 71 14.498 -4.681 -17.800 1.00 24.14 H new ATOM 0 HA2 GLY A 71 12.281 -5.277 -16.871 1.00 34.53 H new ATOM 0 HA3 GLY A 71 12.797 -4.562 -15.357 1.00 34.53 H new ATOM 1248 N GLN A 72 13.156 -2.515 -17.858 1.00 75.12 N ATOM 1249 CA GLN A 72 12.817 -1.195 -18.430 1.00 4.51 C ATOM 1250 C GLN A 72 11.794 -1.312 -19.586 1.00 21.02 C ATOM 1251 O GLN A 72 11.906 -2.185 -20.454 1.00 63.34 O ATOM 1252 CB GLN A 72 14.105 -0.448 -18.911 1.00 2.21 C ATOM 1253 CG GLN A 72 13.874 0.885 -19.683 1.00 64.44 C ATOM 1254 CD GLN A 72 13.181 2.012 -18.880 1.00 11.34 C ATOM 1255 OE1 GLN A 72 12.401 1.784 -17.957 1.00 42.11 O ATOM 1256 NE2 GLN A 72 13.441 3.245 -19.248 1.00 52.53 N ATOM 0 H GLN A 72 14.009 -2.920 -18.244 1.00 75.12 H new ATOM 0 HA GLN A 72 12.351 -0.611 -17.637 1.00 4.51 H new ATOM 0 HB2 GLN A 72 14.725 -0.237 -18.040 1.00 2.21 H new ATOM 0 HB3 GLN A 72 14.674 -1.122 -19.552 1.00 2.21 H new ATOM 0 HG2 GLN A 72 14.838 1.253 -20.033 1.00 64.44 H new ATOM 0 HG3 GLN A 72 13.274 0.672 -20.568 1.00 64.44 H new ATOM 0 HE21 GLN A 72 14.090 3.422 -20.015 1.00 52.53 H new ATOM 0 HE22 GLN A 72 12.994 4.026 -18.767 1.00 52.53 H new ATOM 1265 N MET A 73 10.809 -0.394 -19.579 1.00 45.22 N ATOM 1266 CA MET A 73 9.773 -0.286 -20.621 1.00 45.05 C ATOM 1267 C MET A 73 9.186 1.155 -20.622 1.00 34.01 C ATOM 1268 O MET A 73 8.650 1.625 -19.610 1.00 50.11 O ATOM 1269 CB MET A 73 8.668 -1.369 -20.404 1.00 61.45 C ATOM 1270 CG MET A 73 7.990 -1.353 -19.023 1.00 22.21 C ATOM 1271 SD MET A 73 6.695 -2.604 -18.859 1.00 3.00 S ATOM 1272 CE MET A 73 6.035 -2.243 -17.228 1.00 1.11 C ATOM 0 H MET A 73 10.710 0.302 -18.840 1.00 45.22 H new ATOM 0 HA MET A 73 10.215 -0.471 -21.600 1.00 45.05 H new ATOM 0 HB2 MET A 73 7.901 -1.239 -21.168 1.00 61.45 H new ATOM 0 HB3 MET A 73 9.111 -2.352 -20.561 1.00 61.45 H new ATOM 0 HG2 MET A 73 8.744 -1.515 -18.252 1.00 22.21 H new ATOM 0 HG3 MET A 73 7.560 -0.367 -18.847 1.00 22.21 H new ATOM 0 HE1 MET A 73 5.229 -2.940 -16.999 1.00 1.11 H new ATOM 0 HE2 MET A 73 6.826 -2.346 -16.485 1.00 1.11 H new ATOM 0 HE3 MET A 73 5.650 -1.224 -17.209 1.00 1.11 H new ATOM 1282 N GLN A 74 9.339 1.874 -21.753 1.00 60.35 N ATOM 1283 CA GLN A 74 8.836 3.267 -21.892 1.00 71.22 C ATOM 1284 C GLN A 74 7.360 3.283 -22.361 1.00 42.22 C ATOM 1285 O GLN A 74 6.468 3.747 -21.640 1.00 60.33 O ATOM 1286 CB GLN A 74 9.732 4.078 -22.877 1.00 4.42 C ATOM 1287 CG GLN A 74 9.249 5.527 -23.126 1.00 53.53 C ATOM 1288 CD GLN A 74 10.127 6.313 -24.099 1.00 52.14 C ATOM 1289 OE1 GLN A 74 9.909 6.303 -25.305 1.00 50.44 O ATOM 1290 NE2 GLN A 74 11.122 6.999 -23.582 1.00 43.05 N ATOM 0 H GLN A 74 9.806 1.518 -22.587 1.00 60.35 H new ATOM 0 HA GLN A 74 8.883 3.740 -20.911 1.00 71.22 H new ATOM 0 HB2 GLN A 74 10.749 4.108 -22.485 1.00 4.42 H new ATOM 0 HB3 GLN A 74 9.773 3.552 -23.831 1.00 4.42 H new ATOM 0 HG2 GLN A 74 8.230 5.499 -23.513 1.00 53.53 H new ATOM 0 HG3 GLN A 74 9.214 6.057 -22.174 1.00 53.53 H new ATOM 0 HE21 GLN A 74 11.279 6.989 -22.574 1.00 43.05 H new ATOM 0 HE22 GLN A 74 11.737 7.542 -24.189 1.00 43.05 H new ATOM 1299 N GLN A 75 7.124 2.770 -23.584 1.00 61.41 N ATOM 1300 CA GLN A 75 5.792 2.770 -24.235 1.00 12.13 C ATOM 1301 C GLN A 75 4.988 1.479 -23.879 1.00 42.34 C ATOM 1302 O GLN A 75 4.058 1.554 -23.049 1.00 37.43 O ATOM 1303 CB GLN A 75 5.958 2.922 -25.779 1.00 52.21 C ATOM 1304 CG GLN A 75 4.635 3.103 -26.572 1.00 54.32 C ATOM 1305 CD GLN A 75 3.859 4.374 -26.201 1.00 33.34 C ATOM 1306 OE1 GLN A 75 4.439 5.400 -25.843 1.00 60.04 O ATOM 1307 NE2 GLN A 75 2.544 4.333 -26.312 1.00 12.43 N ATOM 1308 OXT GLN A 75 5.304 0.392 -24.416 1.00 37.43 O ATOM 0 H GLN A 75 7.853 2.341 -24.154 1.00 61.41 H new ATOM 0 HA GLN A 75 5.221 3.619 -23.859 1.00 12.13 H new ATOM 0 HB2 GLN A 75 6.601 3.779 -25.976 1.00 52.21 H new ATOM 0 HB3 GLN A 75 6.474 2.041 -26.161 1.00 52.21 H new ATOM 0 HG2 GLN A 75 4.861 3.125 -27.638 1.00 54.32 H new ATOM 0 HG3 GLN A 75 3.997 2.236 -26.399 1.00 54.32 H new ATOM 0 HE21 GLN A 75 2.084 3.473 -26.610 1.00 12.43 H new ATOM 0 HE22 GLN A 75 1.988 5.161 -26.100 1.00 12.43 H new TER 1317 GLN A 75