USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 879 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 MET CE :methyl 179:sc= -1.76 (180deg=-1.35) USER MOD Set 1.2: A 122 TYR OH : rot -96:sc= -0.184 USER MOD Single : A 13 SER OG : rot 180:sc= -0.0578 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -170:sc= -0.636 USER MOD Single : A 30 CYS SG : rot 40:sc= -0.0492 USER MOD Single : A 31 THR OG1 : rot 122:sc= 1.77 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.769 X(o=-0.77,f=-0.7) USER MOD Single : A 37 ASN : amide:sc= -0.37 K(o=-0.37,f=-0.91) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.665 USER MOD Single : A 53 SER OG : rot 170:sc= -0.0316 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -7.26! C(o=-7.3!,f=-5.4!) USER MOD Single : A 70 LYS NZ :NH3+ -126:sc= -0.267 (180deg=-0.991) USER MOD Single : A 71 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.016) USER MOD Single : A 73 HIS : no HE2:sc= -0.531 K(o=-0.53,f=-1.7) USER MOD Single : A 81 MET CE :methyl 146:sc= -6! (180deg=-9.26!) USER MOD Single : A 82 THR OG1 : rot 110:sc= -0.654 USER MOD Single : A 84 HIS : no HD1:sc= -4.6 K(o=-4.6,f=-3.5) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -142:sc= -3.45! USER MOD Single : A 95 GLN : amide:sc=-0.00939 X(o=-0.0094,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.0838 K(o=-0.084,f=-2!) USER MOD Single : A 101 TYR OH : rot 50:sc= -2.49! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 78:sc= 2.02 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 35 N ARG A 3 3.895 -3.908 -2.195 1.00 32.43 N ATOM 36 CA ARG A 3 5.352 -3.910 -2.222 1.00 25.02 C ATOM 37 C ARG A 3 5.905 -5.232 -1.697 1.00 35.05 C ATOM 38 O ARG A 3 7.041 -5.602 -1.989 1.00 74.34 O ATOM 39 CB ARG A 3 5.901 -2.749 -1.389 1.00 74.54 C ATOM 40 CG ARG A 3 5.304 -2.666 0.006 1.00 25.23 C ATOM 41 CD ARG A 3 6.130 -3.453 1.012 1.00 12.14 C ATOM 42 NE ARG A 3 7.502 -2.961 1.098 1.00 24.40 N ATOM 43 CZ ARG A 3 8.335 -3.275 2.084 1.00 23.51 C ATOM 44 NH1 ARG A 3 7.937 -4.076 3.063 1.00 62.42 N ATOM 45 NH2 ARG A 3 9.570 -2.788 2.092 1.00 35.41 N ATOM 0 HA ARG A 3 5.670 -3.788 -3.257 1.00 25.02 H new ATOM 0 HB2 ARG A 3 6.983 -2.852 -1.307 1.00 74.54 H new ATOM 0 HB3 ARG A 3 5.709 -1.813 -1.914 1.00 74.54 H new ATOM 0 HG2 ARG A 3 5.247 -1.623 0.317 1.00 25.23 H new ATOM 0 HG3 ARG A 3 4.284 -3.051 -0.010 1.00 25.23 H new ATOM 0 HD2 ARG A 3 5.661 -3.391 1.994 1.00 12.14 H new ATOM 0 HD3 ARG A 3 6.139 -4.506 0.729 1.00 12.14 H new ATOM 0 HE ARG A 3 7.839 -2.342 0.361 1.00 24.40 H new ATOM 0 HH11 ARG A 3 6.989 -4.453 3.060 1.00 62.42 H new ATOM 0 HH12 ARG A 3 8.579 -4.315 3.819 1.00 62.42 H new ATOM 0 HH21 ARG A 3 9.880 -2.172 1.341 1.00 35.41 H new ATOM 0 HH22 ARG A 3 10.209 -3.030 2.850 1.00 35.41 H new ATOM 59 N GLY A 4 5.092 -5.940 -0.918 1.00 15.53 N ATOM 60 CA GLY A 4 5.516 -7.212 -0.363 1.00 42.35 C ATOM 61 C GLY A 4 4.347 -8.114 -0.021 1.00 24.01 C ATOM 62 O GLY A 4 3.746 -7.983 1.045 1.00 33.35 O ATOM 0 H GLY A 4 4.147 -5.655 -0.662 1.00 15.53 H new ATOM 0 HA2 GLY A 4 6.165 -7.718 -1.078 1.00 42.35 H new ATOM 0 HA3 GLY A 4 6.108 -7.034 0.535 1.00 42.35 H new ATOM 66 N ILE A 5 4.024 -9.030 -0.927 1.00 21.50 N ATOM 67 CA ILE A 5 2.919 -9.957 -0.715 1.00 21.10 C ATOM 68 C ILE A 5 3.346 -11.131 0.159 1.00 23.23 C ATOM 69 O ILE A 5 4.462 -11.638 0.036 1.00 54.22 O ATOM 70 CB ILE A 5 2.374 -10.498 -2.050 1.00 15.50 C ATOM 71 CG1 ILE A 5 1.719 -9.371 -2.852 1.00 0.20 C ATOM 72 CG2 ILE A 5 1.381 -11.623 -1.800 1.00 13.23 C ATOM 73 CD1 ILE A 5 1.506 -9.712 -4.310 1.00 42.22 C ATOM 0 H ILE A 5 4.511 -9.150 -1.815 1.00 21.50 H new ATOM 0 HA ILE A 5 2.131 -9.398 -0.210 1.00 21.10 H new ATOM 0 HB ILE A 5 3.206 -10.896 -2.631 1.00 15.50 H new ATOM 0 HG12 ILE A 5 0.758 -9.126 -2.400 1.00 0.20 H new ATOM 0 HG13 ILE A 5 2.341 -8.478 -2.783 1.00 0.20 H new ATOM 0 HG21 ILE A 5 1.005 -11.995 -2.753 1.00 13.23 H new ATOM 0 HG22 ILE A 5 1.876 -12.433 -1.264 1.00 13.23 H new ATOM 0 HG23 ILE A 5 0.550 -11.248 -1.203 1.00 13.23 H new ATOM 0 HD11 ILE A 5 1.038 -8.868 -4.817 1.00 42.22 H new ATOM 0 HD12 ILE A 5 2.467 -9.928 -4.777 1.00 42.22 H new ATOM 0 HD13 ILE A 5 0.859 -10.586 -4.389 1.00 42.22 H new ATOM 85 N VAL A 6 2.451 -11.561 1.043 1.00 53.05 N ATOM 86 CA VAL A 6 2.733 -12.678 1.936 1.00 2.11 C ATOM 87 C VAL A 6 1.651 -13.748 1.838 1.00 43.43 C ATOM 88 O VAL A 6 0.466 -13.464 2.011 1.00 2.31 O ATOM 89 CB VAL A 6 2.847 -12.211 3.399 1.00 34.25 C ATOM 90 CG1 VAL A 6 3.369 -13.336 4.280 1.00 63.01 C ATOM 91 CG2 VAL A 6 3.741 -10.985 3.499 1.00 25.14 C ATOM 0 H VAL A 6 1.524 -11.152 1.160 1.00 53.05 H new ATOM 0 HA VAL A 6 3.687 -13.101 1.622 1.00 2.11 H new ATOM 0 HB VAL A 6 1.853 -11.937 3.753 1.00 34.25 H new ATOM 0 HG11 VAL A 6 3.443 -12.987 5.310 1.00 63.01 H new ATOM 0 HG12 VAL A 6 2.685 -14.183 4.232 1.00 63.01 H new ATOM 0 HG13 VAL A 6 4.354 -13.645 3.930 1.00 63.01 H new ATOM 0 HG21 VAL A 6 3.810 -10.669 4.540 1.00 25.14 H new ATOM 0 HG22 VAL A 6 4.736 -11.229 3.127 1.00 25.14 H new ATOM 0 HG23 VAL A 6 3.319 -10.177 2.902 1.00 25.14 H new ATOM 101 N TRP A 7 2.067 -14.978 1.559 1.00 43.41 N ATOM 102 CA TRP A 7 1.133 -16.091 1.438 1.00 61.11 C ATOM 103 C TRP A 7 1.311 -17.078 2.586 1.00 32.04 C ATOM 104 O TRP A 7 2.367 -17.127 3.218 1.00 74.54 O ATOM 105 CB TRP A 7 1.330 -16.806 0.100 1.00 41.31 C ATOM 106 CG TRP A 7 0.911 -15.983 -1.080 1.00 50.44 C ATOM 107 CD1 TRP A 7 0.345 -14.740 -1.054 1.00 3.13 C ATOM 108 CD2 TRP A 7 1.023 -16.345 -2.461 1.00 32.10 C ATOM 109 NE1 TRP A 7 0.099 -14.308 -2.335 1.00 13.04 N ATOM 110 CE2 TRP A 7 0.506 -15.274 -3.216 1.00 61.01 C ATOM 111 CE3 TRP A 7 1.511 -17.469 -3.133 1.00 11.01 C ATOM 112 CZ2 TRP A 7 0.464 -15.297 -4.608 1.00 13.15 C ATOM 113 CZ3 TRP A 7 1.468 -17.490 -4.514 1.00 32.21 C ATOM 114 CH2 TRP A 7 0.948 -16.410 -5.239 1.00 42.13 C ATOM 0 H TRP A 7 3.045 -15.230 1.412 1.00 43.41 H new ATOM 0 HA TRP A 7 0.121 -15.689 1.482 1.00 61.11 H new ATOM 0 HB2 TRP A 7 2.381 -17.076 -0.009 1.00 41.31 H new ATOM 0 HB3 TRP A 7 0.761 -17.736 0.106 1.00 41.31 H new ATOM 0 HD1 TRP A 7 0.123 -14.179 -0.158 1.00 3.13 H new ATOM 0 HE1 TRP A 7 -0.319 -13.413 -2.589 1.00 13.04 H new ATOM 0 HE3 TRP A 7 1.914 -18.306 -2.583 1.00 11.01 H new ATOM 0 HZ2 TRP A 7 0.064 -14.466 -5.169 1.00 13.15 H new ATOM 0 HZ3 TRP A 7 1.842 -18.354 -5.044 1.00 32.21 H new ATOM 0 HH2 TRP A 7 0.929 -16.457 -6.318 1.00 42.13 H new ATOM 125 N VAL A 8 0.272 -17.863 2.853 1.00 54.03 N ATOM 126 CA VAL A 8 0.314 -18.850 3.925 1.00 0.00 C ATOM 127 C VAL A 8 -0.307 -20.170 3.482 1.00 42.02 C ATOM 128 O VAL A 8 -1.254 -20.190 2.695 1.00 22.14 O ATOM 129 CB VAL A 8 -0.421 -18.346 5.181 1.00 1.13 C ATOM 130 CG1 VAL A 8 -0.521 -19.451 6.221 1.00 24.34 C ATOM 131 CG2 VAL A 8 0.282 -17.125 5.755 1.00 53.41 C ATOM 0 H VAL A 8 -0.610 -17.834 2.341 1.00 54.03 H new ATOM 0 HA VAL A 8 1.365 -19.009 4.167 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.432 -18.055 4.897 1.00 1.13 H new ATOM 0 HG11 VAL A 8 -1.043 -19.076 7.101 1.00 24.34 H new ATOM 0 HG12 VAL A 8 -1.072 -20.294 5.804 1.00 24.34 H new ATOM 0 HG13 VAL A 8 0.480 -19.776 6.504 1.00 24.34 H new ATOM 0 HG21 VAL A 8 -0.251 -16.782 6.642 1.00 53.41 H new ATOM 0 HG22 VAL A 8 1.305 -17.387 6.025 1.00 53.41 H new ATOM 0 HG23 VAL A 8 0.296 -16.330 5.010 1.00 53.41 H new ATOM 141 N VAL A 9 0.233 -21.272 3.992 1.00 32.43 N ATOM 142 CA VAL A 9 -0.269 -22.598 3.651 1.00 61.04 C ATOM 143 C VAL A 9 -0.367 -23.484 4.887 1.00 20.04 C ATOM 144 O VAL A 9 0.354 -24.474 5.013 1.00 73.31 O ATOM 145 CB VAL A 9 0.632 -23.288 2.609 1.00 54.34 C ATOM 146 CG1 VAL A 9 2.039 -23.470 3.156 1.00 41.31 C ATOM 147 CG2 VAL A 9 0.036 -24.624 2.191 1.00 0.23 C ATOM 0 H VAL A 9 1.018 -21.273 4.643 1.00 32.43 H new ATOM 0 HA VAL A 9 -1.264 -22.460 3.227 1.00 61.04 H new ATOM 0 HB VAL A 9 0.691 -22.651 1.727 1.00 54.34 H new ATOM 0 HG11 VAL A 9 2.661 -23.959 2.406 1.00 41.31 H new ATOM 0 HG12 VAL A 9 2.463 -22.496 3.400 1.00 41.31 H new ATOM 0 HG13 VAL A 9 2.003 -24.086 4.055 1.00 41.31 H new ATOM 0 HG21 VAL A 9 0.685 -25.098 1.455 1.00 0.23 H new ATOM 0 HG22 VAL A 9 -0.055 -25.271 3.064 1.00 0.23 H new ATOM 0 HG23 VAL A 9 -0.950 -24.462 1.755 1.00 0.23 H new ATOM 157 N ASP A 10 -1.263 -23.122 5.798 1.00 14.32 N ATOM 158 CA ASP A 10 -1.458 -23.885 7.026 1.00 43.33 C ATOM 159 C ASP A 10 -2.746 -24.699 6.961 1.00 21.22 C ATOM 160 O ASP A 10 -3.490 -24.626 5.983 1.00 10.12 O ATOM 161 CB ASP A 10 -1.492 -22.948 8.234 1.00 51.50 C ATOM 162 CG ASP A 10 -2.609 -21.927 8.143 1.00 14.23 C ATOM 163 OD1 ASP A 10 -2.683 -21.218 7.118 1.00 74.32 O ATOM 164 OD2 ASP A 10 -3.409 -21.836 9.098 1.00 15.12 O ATOM 0 H ASP A 10 -1.866 -22.304 5.710 1.00 14.32 H new ATOM 0 HA ASP A 10 -0.620 -24.573 7.134 1.00 43.33 H new ATOM 0 HB2 ASP A 10 -1.615 -23.536 9.143 1.00 51.50 H new ATOM 0 HB3 ASP A 10 -0.536 -22.430 8.316 1.00 51.50 H new ATOM 169 N ASP A 11 -3.002 -25.475 8.008 1.00 20.44 N ATOM 170 CA ASP A 11 -4.200 -26.304 8.071 1.00 73.10 C ATOM 171 C ASP A 11 -5.032 -25.964 9.304 1.00 71.52 C ATOM 172 O ASP A 11 -5.758 -26.810 9.827 1.00 13.21 O ATOM 173 CB ASP A 11 -3.821 -27.786 8.089 1.00 52.24 C ATOM 174 CG ASP A 11 -4.680 -28.614 7.154 1.00 74.31 C ATOM 175 OD1 ASP A 11 -5.816 -28.187 6.856 1.00 63.31 O ATOM 176 OD2 ASP A 11 -4.217 -29.689 6.720 1.00 72.54 O ATOM 0 H ASP A 11 -2.396 -25.547 8.825 1.00 20.44 H new ATOM 0 HA ASP A 11 -4.799 -26.101 7.183 1.00 73.10 H new ATOM 0 HB2 ASP A 11 -2.774 -27.894 7.807 1.00 52.24 H new ATOM 0 HB3 ASP A 11 -3.919 -28.171 9.104 1.00 52.24 H new ATOM 181 N ASP A 12 -4.920 -24.723 9.763 1.00 50.00 N ATOM 182 CA ASP A 12 -5.662 -24.271 10.935 1.00 63.25 C ATOM 183 C ASP A 12 -6.325 -22.923 10.671 1.00 1.12 C ATOM 184 O ASP A 12 -5.825 -22.117 9.886 1.00 34.11 O ATOM 185 CB ASP A 12 -4.732 -24.169 12.145 1.00 51.43 C ATOM 186 CG ASP A 12 -4.838 -25.372 13.060 1.00 32.51 C ATOM 187 OD1 ASP A 12 -5.208 -26.460 12.570 1.00 60.21 O ATOM 188 OD2 ASP A 12 -4.551 -25.227 14.266 1.00 23.24 O ATOM 0 H ASP A 12 -4.323 -24.011 9.342 1.00 50.00 H new ATOM 0 HA ASP A 12 -6.441 -25.003 11.147 1.00 63.25 H new ATOM 0 HB2 ASP A 12 -3.703 -24.068 11.801 1.00 51.43 H new ATOM 0 HB3 ASP A 12 -4.970 -23.266 12.708 1.00 51.43 H new ATOM 193 N SER A 13 -7.453 -22.685 11.332 1.00 74.10 N ATOM 194 CA SER A 13 -8.188 -21.436 11.166 1.00 70.54 C ATOM 195 C SER A 13 -7.511 -20.302 11.929 1.00 35.24 C ATOM 196 O SER A 13 -7.300 -19.216 11.391 1.00 42.14 O ATOM 197 CB SER A 13 -9.631 -21.601 11.647 1.00 61.02 C ATOM 198 OG SER A 13 -9.878 -20.811 12.797 1.00 31.32 O ATOM 0 H SER A 13 -7.878 -23.340 11.988 1.00 74.10 H new ATOM 0 HA SER A 13 -8.193 -21.184 10.106 1.00 70.54 H new ATOM 0 HB2 SER A 13 -10.318 -21.315 10.851 1.00 61.02 H new ATOM 0 HB3 SER A 13 -9.825 -22.649 11.874 1.00 61.02 H new ATOM 0 HG SER A 13 -10.807 -20.932 13.084 1.00 31.32 H new ATOM 204 N SER A 14 -7.175 -20.563 13.188 1.00 24.44 N ATOM 205 CA SER A 14 -6.525 -19.564 14.029 1.00 34.30 C ATOM 206 C SER A 14 -5.091 -19.317 13.570 1.00 33.55 C ATOM 207 O SER A 14 -4.503 -18.278 13.870 1.00 62.11 O ATOM 208 CB SER A 14 -6.535 -20.013 15.491 1.00 30.45 C ATOM 209 OG SER A 14 -5.279 -20.550 15.869 1.00 42.05 O ATOM 0 H SER A 14 -7.342 -21.458 13.648 1.00 24.44 H new ATOM 0 HA SER A 14 -7.082 -18.631 13.939 1.00 34.30 H new ATOM 0 HB2 SER A 14 -6.780 -19.167 16.133 1.00 30.45 H new ATOM 0 HB3 SER A 14 -7.313 -20.761 15.639 1.00 30.45 H new ATOM 0 HG SER A 14 -5.311 -20.828 16.808 1.00 42.05 H new ATOM 215 N ILE A 15 -4.536 -20.280 12.843 1.00 63.33 N ATOM 216 CA ILE A 15 -3.172 -20.168 12.342 1.00 45.34 C ATOM 217 C ILE A 15 -3.118 -19.311 11.081 1.00 62.51 C ATOM 218 O ILE A 15 -2.181 -18.537 10.884 1.00 73.13 O ATOM 219 CB ILE A 15 -2.568 -21.551 12.035 1.00 75.30 C ATOM 220 CG1 ILE A 15 -2.418 -22.363 13.323 1.00 31.11 C ATOM 221 CG2 ILE A 15 -1.225 -21.401 11.338 1.00 42.45 C ATOM 222 CD1 ILE A 15 -1.527 -21.704 14.352 1.00 23.02 C ATOM 0 H ILE A 15 -5.010 -21.147 12.588 1.00 63.33 H new ATOM 0 HA ILE A 15 -2.586 -19.692 13.128 1.00 45.34 H new ATOM 0 HB ILE A 15 -3.243 -22.085 11.367 1.00 75.30 H new ATOM 0 HG12 ILE A 15 -3.404 -22.524 13.758 1.00 31.11 H new ATOM 0 HG13 ILE A 15 -2.013 -23.345 13.079 1.00 31.11 H new ATOM 0 HG21 ILE A 15 -0.812 -22.388 11.128 1.00 42.45 H new ATOM 0 HG22 ILE A 15 -1.359 -20.857 10.403 1.00 42.45 H new ATOM 0 HG23 ILE A 15 -0.540 -20.850 11.983 1.00 42.45 H new ATOM 0 HD11 ILE A 15 -1.466 -22.335 15.239 1.00 23.02 H new ATOM 0 HD12 ILE A 15 -0.529 -21.567 13.935 1.00 23.02 H new ATOM 0 HD13 ILE A 15 -1.942 -20.734 14.625 1.00 23.02 H new ATOM 234 N ARG A 16 -4.130 -19.455 10.231 1.00 25.02 N ATOM 235 CA ARG A 16 -4.198 -18.694 8.989 1.00 31.34 C ATOM 236 C ARG A 16 -4.734 -17.288 9.242 1.00 30.12 C ATOM 237 O ARG A 16 -4.248 -16.315 8.666 1.00 60.24 O ATOM 238 CB ARG A 16 -5.086 -19.415 7.973 1.00 10.13 C ATOM 239 CG ARG A 16 -6.539 -19.528 8.406 1.00 24.51 C ATOM 240 CD ARG A 16 -7.352 -20.350 7.418 1.00 42.32 C ATOM 241 NE ARG A 16 -8.425 -19.568 6.810 1.00 73.43 N ATOM 242 CZ ARG A 16 -9.355 -20.089 6.017 1.00 33.41 C ATOM 243 NH1 ARG A 16 -9.343 -21.386 5.739 1.00 54.43 N ATOM 244 NH2 ARG A 16 -10.300 -19.313 5.502 1.00 71.45 N ATOM 0 H ARG A 16 -4.913 -20.091 10.380 1.00 25.02 H new ATOM 0 HA ARG A 16 -3.189 -18.612 8.586 1.00 31.34 H new ATOM 0 HB2 ARG A 16 -5.039 -18.885 7.022 1.00 10.13 H new ATOM 0 HB3 ARG A 16 -4.688 -20.415 7.801 1.00 10.13 H new ATOM 0 HG2 ARG A 16 -6.591 -19.988 9.393 1.00 24.51 H new ATOM 0 HG3 ARG A 16 -6.972 -18.532 8.495 1.00 24.51 H new ATOM 0 HD2 ARG A 16 -6.695 -20.733 6.637 1.00 42.32 H new ATOM 0 HD3 ARG A 16 -7.777 -21.214 7.928 1.00 42.32 H new ATOM 0 HE ARG A 16 -8.463 -18.567 7.005 1.00 73.43 H new ATOM 0 HH11 ARG A 16 -8.619 -21.986 6.134 1.00 54.43 H new ATOM 0 HH12 ARG A 16 -10.058 -21.784 5.130 1.00 54.43 H new ATOM 0 HH21 ARG A 16 -10.313 -18.316 5.715 1.00 71.45 H new ATOM 0 HH22 ARG A 16 -11.014 -19.714 4.893 1.00 71.45 H new ATOM 258 N TRP A 17 -5.737 -17.190 10.107 1.00 55.15 N ATOM 259 CA TRP A 17 -6.340 -15.903 10.435 1.00 2.30 C ATOM 260 C TRP A 17 -5.287 -14.923 10.942 1.00 54.22 C ATOM 261 O TRP A 17 -5.132 -13.828 10.400 1.00 35.14 O ATOM 262 CB TRP A 17 -7.435 -16.083 11.487 1.00 55.21 C ATOM 263 CG TRP A 17 -7.818 -14.805 12.171 1.00 61.20 C ATOM 264 CD1 TRP A 17 -8.613 -13.814 11.671 1.00 42.24 C ATOM 265 CD2 TRP A 17 -7.420 -14.381 13.479 1.00 21.23 C ATOM 266 NE1 TRP A 17 -8.733 -12.799 12.589 1.00 0.02 N ATOM 267 CE2 TRP A 17 -8.011 -13.123 13.707 1.00 34.34 C ATOM 268 CE3 TRP A 17 -6.624 -14.943 14.481 1.00 45.50 C ATOM 269 CZ2 TRP A 17 -7.829 -12.420 14.895 1.00 40.31 C ATOM 270 CZ3 TRP A 17 -6.443 -14.243 15.659 1.00 52.21 C ATOM 271 CH2 TRP A 17 -7.044 -12.993 15.858 1.00 12.24 C ATOM 0 H TRP A 17 -6.150 -17.986 10.594 1.00 55.15 H new ATOM 0 HA TRP A 17 -6.783 -15.495 9.527 1.00 2.30 H new ATOM 0 HB2 TRP A 17 -8.318 -16.511 11.012 1.00 55.21 H new ATOM 0 HB3 TRP A 17 -7.096 -16.800 12.235 1.00 55.21 H new ATOM 0 HD1 TRP A 17 -9.079 -13.826 10.697 1.00 42.24 H new ATOM 0 HE1 TRP A 17 -9.272 -11.943 12.459 1.00 0.02 H new ATOM 0 HE3 TRP A 17 -6.159 -15.907 14.337 1.00 45.50 H new ATOM 0 HZ2 TRP A 17 -8.291 -11.456 15.051 1.00 40.31 H new ATOM 0 HZ3 TRP A 17 -5.828 -14.667 16.439 1.00 52.21 H new ATOM 0 HH2 TRP A 17 -6.884 -12.471 16.790 1.00 12.24 H new ATOM 282 N VAL A 18 -4.566 -15.323 11.984 1.00 45.30 N ATOM 283 CA VAL A 18 -3.526 -14.480 12.563 1.00 53.31 C ATOM 284 C VAL A 18 -2.584 -13.952 11.487 1.00 50.01 C ATOM 285 O VAL A 18 -2.269 -12.762 11.451 1.00 10.32 O ATOM 286 CB VAL A 18 -2.706 -15.245 13.618 1.00 2.00 C ATOM 287 CG1 VAL A 18 -3.504 -15.403 14.903 1.00 24.33 C ATOM 288 CG2 VAL A 18 -2.276 -16.600 13.077 1.00 25.35 C ATOM 0 H VAL A 18 -4.683 -16.225 12.445 1.00 45.30 H new ATOM 0 HA VAL A 18 -4.030 -13.641 13.044 1.00 53.31 H new ATOM 0 HB VAL A 18 -1.809 -14.669 13.845 1.00 2.00 H new ATOM 0 HG11 VAL A 18 -2.908 -15.946 15.637 1.00 24.33 H new ATOM 0 HG12 VAL A 18 -3.757 -14.419 15.298 1.00 24.33 H new ATOM 0 HG13 VAL A 18 -4.419 -15.958 14.697 1.00 24.33 H new ATOM 0 HG21 VAL A 18 -1.697 -17.128 13.835 1.00 25.35 H new ATOM 0 HG22 VAL A 18 -3.159 -17.186 12.821 1.00 25.35 H new ATOM 0 HG23 VAL A 18 -1.663 -16.459 12.187 1.00 25.35 H new ATOM 298 N LEU A 19 -2.137 -14.844 10.610 1.00 30.54 N ATOM 299 CA LEU A 19 -1.230 -14.469 9.531 1.00 30.22 C ATOM 300 C LEU A 19 -1.945 -13.611 8.492 1.00 33.43 C ATOM 301 O LEU A 19 -1.310 -12.878 7.736 1.00 1.41 O ATOM 302 CB LEU A 19 -0.652 -15.720 8.866 1.00 0.42 C ATOM 303 CG LEU A 19 0.525 -16.379 9.585 1.00 5.24 C ATOM 304 CD1 LEU A 19 0.717 -17.806 9.098 1.00 63.43 C ATOM 305 CD2 LEU A 19 1.797 -15.568 9.381 1.00 51.01 C ATOM 0 H LEU A 19 -2.388 -15.833 10.625 1.00 30.54 H new ATOM 0 HA LEU A 19 -0.416 -13.884 9.960 1.00 30.22 H new ATOM 0 HB2 LEU A 19 -1.450 -16.456 8.767 1.00 0.42 H new ATOM 0 HB3 LEU A 19 -0.334 -15.457 7.857 1.00 0.42 H new ATOM 0 HG LEU A 19 0.304 -16.408 10.652 1.00 5.24 H new ATOM 0 HD11 LEU A 19 1.559 -18.259 9.621 1.00 63.43 H new ATOM 0 HD12 LEU A 19 -0.186 -18.383 9.297 1.00 63.43 H new ATOM 0 HD13 LEU A 19 0.916 -17.801 8.026 1.00 63.43 H new ATOM 0 HD21 LEU A 19 2.624 -16.052 9.900 1.00 51.01 H new ATOM 0 HD22 LEU A 19 2.023 -15.507 8.316 1.00 51.01 H new ATOM 0 HD23 LEU A 19 1.656 -14.564 9.780 1.00 51.01 H new ATOM 317 N GLU A 20 -3.271 -13.708 8.463 1.00 21.44 N ATOM 318 CA GLU A 20 -4.072 -12.940 7.518 1.00 41.21 C ATOM 319 C GLU A 20 -4.288 -11.515 8.020 1.00 45.02 C ATOM 320 O GLU A 20 -3.902 -10.549 7.362 1.00 41.34 O ATOM 321 CB GLU A 20 -5.423 -13.621 7.288 1.00 65.13 C ATOM 322 CG GLU A 20 -5.792 -13.760 5.820 1.00 0.04 C ATOM 323 CD GLU A 20 -7.191 -14.309 5.621 1.00 54.44 C ATOM 324 OE1 GLU A 20 -7.641 -15.108 6.468 1.00 12.03 O ATOM 325 OE2 GLU A 20 -7.836 -13.939 4.617 1.00 34.33 O ATOM 0 H GLU A 20 -3.812 -14.311 9.083 1.00 21.44 H new ATOM 0 HA GLU A 20 -3.530 -12.896 6.573 1.00 41.21 H new ATOM 0 HB2 GLU A 20 -5.404 -14.611 7.745 1.00 65.13 H new ATOM 0 HB3 GLU A 20 -6.200 -13.050 7.797 1.00 65.13 H new ATOM 0 HG2 GLU A 20 -5.715 -12.786 5.336 1.00 0.04 H new ATOM 0 HG3 GLU A 20 -5.074 -14.417 5.329 1.00 0.04 H new ATOM 332 N ARG A 21 -4.907 -11.393 9.189 1.00 22.34 N ATOM 333 CA ARG A 21 -5.176 -10.087 9.779 1.00 23.43 C ATOM 334 C ARG A 21 -3.890 -9.278 9.916 1.00 2.45 C ATOM 335 O ARG A 21 -3.919 -8.048 9.939 1.00 43.55 O ATOM 336 CB ARG A 21 -5.838 -10.249 11.149 1.00 63.41 C ATOM 337 CG ARG A 21 -4.960 -10.955 12.170 1.00 73.12 C ATOM 338 CD ARG A 21 -5.409 -10.656 13.592 1.00 74.54 C ATOM 339 NE ARG A 21 -4.582 -9.632 14.223 1.00 30.13 N ATOM 340 CZ ARG A 21 -4.699 -9.276 15.498 1.00 40.34 C ATOM 341 NH1 ARG A 21 -5.604 -9.858 16.272 1.00 60.20 N ATOM 342 NH2 ARG A 21 -3.909 -8.335 16.000 1.00 73.11 N ATOM 0 H ARG A 21 -5.232 -12.183 9.747 1.00 22.34 H new ATOM 0 HA ARG A 21 -5.855 -9.549 9.117 1.00 23.43 H new ATOM 0 HB2 ARG A 21 -6.106 -9.264 11.532 1.00 63.41 H new ATOM 0 HB3 ARG A 21 -6.766 -10.809 11.031 1.00 63.41 H new ATOM 0 HG2 ARG A 21 -4.991 -12.031 11.996 1.00 73.12 H new ATOM 0 HG3 ARG A 21 -3.924 -10.641 12.040 1.00 73.12 H new ATOM 0 HD2 ARG A 21 -6.448 -10.327 13.582 1.00 74.54 H new ATOM 0 HD3 ARG A 21 -5.369 -11.570 14.184 1.00 74.54 H new ATOM 0 HE ARG A 21 -3.876 -9.164 13.654 1.00 30.13 H new ATOM 0 HH11 ARG A 21 -6.213 -10.581 15.889 1.00 60.20 H new ATOM 0 HH12 ARG A 21 -5.691 -9.583 17.250 1.00 60.20 H new ATOM 0 HH21 ARG A 21 -3.212 -7.885 15.407 1.00 73.11 H new ATOM 0 HH22 ARG A 21 -3.999 -8.062 16.979 1.00 73.11 H new ATOM 356 N ALA A 22 -2.763 -9.977 10.009 1.00 53.31 N ATOM 357 CA ALA A 22 -1.467 -9.323 10.142 1.00 34.05 C ATOM 358 C ALA A 22 -1.126 -8.520 8.892 1.00 51.01 C ATOM 359 O ALA A 22 -0.549 -7.435 8.977 1.00 50.05 O ATOM 360 CB ALA A 22 -0.383 -10.353 10.423 1.00 72.01 C ATOM 0 H ALA A 22 -2.722 -10.996 9.995 1.00 53.31 H new ATOM 0 HA ALA A 22 -1.521 -8.631 10.982 1.00 34.05 H new ATOM 0 HB1 ALA A 22 0.580 -9.851 10.520 1.00 72.01 H new ATOM 0 HB2 ALA A 22 -0.613 -10.879 11.349 1.00 72.01 H new ATOM 0 HB3 ALA A 22 -0.338 -11.068 9.601 1.00 72.01 H new ATOM 366 N LEU A 23 -1.485 -9.059 7.732 1.00 30.21 N ATOM 367 CA LEU A 23 -1.216 -8.393 6.463 1.00 50.43 C ATOM 368 C LEU A 23 -2.307 -7.377 6.139 1.00 10.11 C ATOM 369 O LEU A 23 -2.025 -6.284 5.649 1.00 14.45 O ATOM 370 CB LEU A 23 -1.111 -9.422 5.336 1.00 51.21 C ATOM 371 CG LEU A 23 -0.276 -10.666 5.639 1.00 22.21 C ATOM 372 CD1 LEU A 23 -0.552 -11.757 4.616 1.00 33.01 C ATOM 373 CD2 LEU A 23 1.206 -10.320 5.665 1.00 31.55 C ATOM 0 H LEU A 23 -1.963 -9.956 7.644 1.00 30.21 H new ATOM 0 HA LEU A 23 -0.267 -7.864 6.553 1.00 50.43 H new ATOM 0 HB2 LEU A 23 -2.118 -9.741 5.068 1.00 51.21 H new ATOM 0 HB3 LEU A 23 -0.689 -8.930 4.460 1.00 51.21 H new ATOM 0 HG LEU A 23 -0.559 -11.039 6.623 1.00 22.21 H new ATOM 0 HD11 LEU A 23 0.051 -12.635 4.848 1.00 33.01 H new ATOM 0 HD12 LEU A 23 -1.608 -12.025 4.646 1.00 33.01 H new ATOM 0 HD13 LEU A 23 -0.297 -11.395 3.620 1.00 33.01 H new ATOM 0 HD21 LEU A 23 1.785 -11.217 5.882 1.00 31.55 H new ATOM 0 HD22 LEU A 23 1.504 -9.922 4.695 1.00 31.55 H new ATOM 0 HD23 LEU A 23 1.392 -9.573 6.437 1.00 31.55 H new ATOM 385 N ALA A 24 -3.553 -7.745 6.418 1.00 30.50 N ATOM 386 CA ALA A 24 -4.686 -6.865 6.161 1.00 62.13 C ATOM 387 C ALA A 24 -4.451 -5.480 6.755 1.00 70.42 C ATOM 388 O ALA A 24 -4.663 -4.466 6.092 1.00 2.21 O ATOM 389 CB ALA A 24 -5.964 -7.472 6.721 1.00 42.04 C ATOM 0 H ALA A 24 -3.803 -8.647 6.822 1.00 30.50 H new ATOM 0 HA ALA A 24 -4.792 -6.756 5.082 1.00 62.13 H new ATOM 0 HB1 ALA A 24 -6.802 -6.804 6.522 1.00 42.04 H new ATOM 0 HB2 ALA A 24 -6.148 -8.436 6.246 1.00 42.04 H new ATOM 0 HB3 ALA A 24 -5.859 -7.612 7.797 1.00 42.04 H new ATOM 395 N GLY A 25 -4.013 -5.446 8.010 1.00 65.33 N ATOM 396 CA GLY A 25 -3.757 -4.181 8.672 1.00 13.41 C ATOM 397 C GLY A 25 -2.360 -3.657 8.403 1.00 14.13 C ATOM 398 O GLY A 25 -1.989 -2.587 8.883 1.00 5.44 O ATOM 0 H GLY A 25 -3.831 -6.272 8.580 1.00 65.33 H new ATOM 0 HA2 GLY A 25 -4.488 -3.445 8.337 1.00 13.41 H new ATOM 0 HA3 GLY A 25 -3.895 -4.302 9.746 1.00 13.41 H new ATOM 402 N ALA A 26 -1.584 -4.414 7.635 1.00 51.22 N ATOM 403 CA ALA A 26 -0.221 -4.020 7.303 1.00 44.31 C ATOM 404 C ALA A 26 -0.158 -3.362 5.929 1.00 55.53 C ATOM 405 O ALA A 26 0.798 -2.656 5.610 1.00 33.02 O ATOM 406 CB ALA A 26 0.705 -5.226 7.355 1.00 60.13 C ATOM 0 H ALA A 26 -1.876 -5.304 7.231 1.00 51.22 H new ATOM 0 HA ALA A 26 0.109 -3.290 8.042 1.00 44.31 H new ATOM 0 HB1 ALA A 26 1.720 -4.917 7.105 1.00 60.13 H new ATOM 0 HB2 ALA A 26 0.692 -5.651 8.358 1.00 60.13 H new ATOM 0 HB3 ALA A 26 0.367 -5.975 6.639 1.00 60.13 H new ATOM 412 N GLY A 27 -1.185 -3.598 5.117 1.00 10.13 N ATOM 413 CA GLY A 27 -1.226 -3.021 3.786 1.00 35.32 C ATOM 414 C GLY A 27 -0.582 -3.916 2.746 1.00 33.42 C ATOM 415 O GLY A 27 -0.006 -3.433 1.771 1.00 55.34 O ATOM 0 H GLY A 27 -1.989 -4.178 5.358 1.00 10.13 H new ATOM 0 HA2 GLY A 27 -2.263 -2.833 3.507 1.00 35.32 H new ATOM 0 HA3 GLY A 27 -0.718 -2.057 3.796 1.00 35.32 H new ATOM 419 N LEU A 28 -0.677 -5.225 2.954 1.00 21.01 N ATOM 420 CA LEU A 28 -0.097 -6.191 2.027 1.00 10.13 C ATOM 421 C LEU A 28 -1.077 -7.323 1.737 1.00 23.44 C ATOM 422 O LEU A 28 -1.839 -7.739 2.611 1.00 51.02 O ATOM 423 CB LEU A 28 1.203 -6.759 2.599 1.00 33.44 C ATOM 424 CG LEU A 28 1.827 -5.976 3.754 1.00 2.42 C ATOM 425 CD1 LEU A 28 2.926 -6.790 4.419 1.00 2.33 C ATOM 426 CD2 LEU A 28 2.372 -4.643 3.261 1.00 22.02 C ATOM 0 H LEU A 28 -1.150 -5.642 3.756 1.00 21.01 H new ATOM 0 HA LEU A 28 0.120 -5.675 1.092 1.00 10.13 H new ATOM 0 HB2 LEU A 28 1.013 -7.777 2.938 1.00 33.44 H new ATOM 0 HB3 LEU A 28 1.934 -6.823 1.793 1.00 33.44 H new ATOM 0 HG LEU A 28 1.052 -5.778 4.494 1.00 2.42 H new ATOM 0 HD11 LEU A 28 3.358 -6.216 5.239 1.00 2.33 H new ATOM 0 HD12 LEU A 28 2.507 -7.718 4.807 1.00 2.33 H new ATOM 0 HD13 LEU A 28 3.702 -7.020 3.688 1.00 2.33 H new ATOM 0 HD21 LEU A 28 2.813 -4.099 4.096 1.00 22.02 H new ATOM 0 HD22 LEU A 28 3.133 -4.820 2.501 1.00 22.02 H new ATOM 0 HD23 LEU A 28 1.561 -4.055 2.832 1.00 22.02 H new ATOM 438 N THR A 29 -1.050 -7.821 0.505 1.00 30.40 N ATOM 439 CA THR A 29 -1.934 -8.907 0.100 1.00 54.42 C ATOM 440 C THR A 29 -1.895 -10.053 1.104 1.00 4.54 C ATOM 441 O THR A 29 -0.908 -10.229 1.820 1.00 62.42 O ATOM 442 CB THR A 29 -1.559 -9.447 -1.293 1.00 52.20 C ATOM 443 OG1 THR A 29 -1.380 -8.360 -2.208 1.00 73.01 O ATOM 444 CG2 THR A 29 -2.635 -10.386 -1.817 1.00 52.22 C ATOM 0 H THR A 29 -0.425 -7.489 -0.230 1.00 30.40 H new ATOM 0 HA THR A 29 -2.943 -8.495 0.063 1.00 54.42 H new ATOM 0 HB THR A 29 -0.626 -10.003 -1.204 1.00 52.20 H new ATOM 0 HG1 THR A 29 -1.298 -8.710 -3.120 1.00 73.01 H new ATOM 0 HG21 THR A 29 -2.348 -10.755 -2.802 1.00 52.22 H new ATOM 0 HG22 THR A 29 -2.748 -11.227 -1.133 1.00 52.22 H new ATOM 0 HG23 THR A 29 -3.581 -9.850 -1.892 1.00 52.22 H new ATOM 452 N CYS A 30 -2.972 -10.828 1.153 1.00 62.23 N ATOM 453 CA CYS A 30 -3.060 -11.958 2.071 1.00 63.33 C ATOM 454 C CYS A 30 -3.714 -13.159 1.394 1.00 11.44 C ATOM 455 O CYS A 30 -4.889 -13.115 1.029 1.00 73.33 O ATOM 456 CB CYS A 30 -3.851 -11.567 3.320 1.00 70.24 C ATOM 457 SG CYS A 30 -5.429 -10.757 2.970 1.00 52.11 S ATOM 0 H CYS A 30 -3.797 -10.695 0.568 1.00 62.23 H new ATOM 0 HA CYS A 30 -2.048 -12.236 2.364 1.00 63.33 H new ATOM 0 HB2 CYS A 30 -4.038 -12.462 3.914 1.00 70.24 H new ATOM 0 HB3 CYS A 30 -3.240 -10.901 3.930 1.00 70.24 H new ATOM 0 HG CYS A 30 -5.995 -11.331 1.950 1.00 52.11 H new ATOM 463 N THR A 31 -2.945 -14.230 1.229 1.00 20.42 N ATOM 464 CA THR A 31 -3.448 -15.442 0.594 1.00 13.33 C ATOM 465 C THR A 31 -3.225 -16.661 1.481 1.00 23.13 C ATOM 466 O THR A 31 -2.088 -17.076 1.710 1.00 61.11 O ATOM 467 CB THR A 31 -2.774 -15.683 -0.770 1.00 14.23 C ATOM 468 OG1 THR A 31 -2.683 -14.452 -1.495 1.00 42.43 O ATOM 469 CG2 THR A 31 -3.555 -16.702 -1.586 1.00 43.23 C ATOM 0 H THR A 31 -1.971 -14.283 1.526 1.00 20.42 H new ATOM 0 HA THR A 31 -4.518 -15.298 0.442 1.00 13.33 H new ATOM 0 HB THR A 31 -1.772 -16.074 -0.592 1.00 14.23 H new ATOM 0 HG1 THR A 31 -1.745 -14.266 -1.707 1.00 42.43 H new ATOM 0 HG21 THR A 31 -3.060 -16.856 -2.545 1.00 43.23 H new ATOM 0 HG22 THR A 31 -3.598 -17.647 -1.044 1.00 43.23 H new ATOM 0 HG23 THR A 31 -4.567 -16.334 -1.755 1.00 43.23 H new ATOM 477 N THR A 32 -4.316 -17.233 1.979 1.00 35.34 N ATOM 478 CA THR A 32 -4.239 -18.405 2.842 1.00 34.41 C ATOM 479 C THR A 32 -4.631 -19.670 2.087 1.00 34.43 C ATOM 480 O THR A 32 -5.629 -19.691 1.367 1.00 75.23 O ATOM 481 CB THR A 32 -5.149 -18.255 4.076 1.00 25.25 C ATOM 482 OG1 THR A 32 -6.524 -18.277 3.678 1.00 44.14 O ATOM 483 CG2 THR A 32 -4.850 -16.959 4.814 1.00 4.22 C ATOM 0 H THR A 32 -5.264 -16.903 1.799 1.00 35.34 H new ATOM 0 HA THR A 32 -3.203 -18.487 3.171 1.00 34.41 H new ATOM 0 HB THR A 32 -4.953 -19.091 4.747 1.00 25.25 H new ATOM 0 HG1 THR A 32 -7.095 -18.183 4.469 1.00 44.14 H new ATOM 0 HG21 THR A 32 -5.505 -16.875 5.681 1.00 4.22 H new ATOM 0 HG22 THR A 32 -3.811 -16.959 5.142 1.00 4.22 H new ATOM 0 HG23 THR A 32 -5.020 -16.113 4.148 1.00 4.22 H new ATOM 491 N PHE A 33 -3.840 -20.724 2.257 1.00 33.54 N ATOM 492 CA PHE A 33 -4.105 -21.994 1.591 1.00 30.53 C ATOM 493 C PHE A 33 -4.304 -23.112 2.611 1.00 64.21 C ATOM 494 O PHE A 33 -4.428 -22.858 3.808 1.00 31.44 O ATOM 495 CB PHE A 33 -2.955 -22.349 0.647 1.00 44.22 C ATOM 496 CG PHE A 33 -2.751 -21.346 -0.452 1.00 41.34 C ATOM 497 CD1 PHE A 33 -3.598 -21.318 -1.549 1.00 1.35 C ATOM 498 CD2 PHE A 33 -1.712 -20.431 -0.390 1.00 22.21 C ATOM 499 CE1 PHE A 33 -3.413 -20.396 -2.562 1.00 15.23 C ATOM 500 CE2 PHE A 33 -1.523 -19.507 -1.400 1.00 2.33 C ATOM 501 CZ PHE A 33 -2.374 -19.490 -2.487 1.00 42.35 C ATOM 0 H PHE A 33 -3.010 -20.724 2.850 1.00 33.54 H new ATOM 0 HA PHE A 33 -5.022 -21.887 1.011 1.00 30.53 H new ATOM 0 HB2 PHE A 33 -2.035 -22.435 1.225 1.00 44.22 H new ATOM 0 HB3 PHE A 33 -3.147 -23.327 0.205 1.00 44.22 H new ATOM 0 HD1 PHE A 33 -4.412 -22.025 -1.613 1.00 1.35 H new ATOM 0 HD2 PHE A 33 -1.042 -20.440 0.457 1.00 22.21 H new ATOM 0 HE1 PHE A 33 -4.080 -20.384 -3.411 1.00 15.23 H new ATOM 0 HE2 PHE A 33 -0.710 -18.799 -1.339 1.00 2.33 H new ATOM 0 HZ PHE A 33 -2.227 -18.769 -3.278 1.00 42.35 H new ATOM 511 N GLU A 34 -4.333 -24.350 2.126 1.00 45.44 N ATOM 512 CA GLU A 34 -4.517 -25.506 2.994 1.00 15.03 C ATOM 513 C GLU A 34 -4.151 -26.797 2.268 1.00 45.35 C ATOM 514 O GLU A 34 -5.002 -27.653 2.033 1.00 52.32 O ATOM 515 CB GLU A 34 -5.965 -25.577 3.484 1.00 33.50 C ATOM 516 CG GLU A 34 -6.990 -25.528 2.363 1.00 11.23 C ATOM 517 CD GLU A 34 -8.300 -26.192 2.741 1.00 61.14 C ATOM 518 OE1 GLU A 34 -8.277 -27.119 3.577 1.00 4.44 O ATOM 519 OE2 GLU A 34 -9.349 -25.785 2.198 1.00 2.35 O ATOM 0 H GLU A 34 -4.231 -24.577 1.137 1.00 45.44 H new ATOM 0 HA GLU A 34 -3.854 -25.393 3.852 1.00 15.03 H new ATOM 0 HB2 GLU A 34 -6.103 -26.498 4.051 1.00 33.50 H new ATOM 0 HB3 GLU A 34 -6.149 -24.750 4.169 1.00 33.50 H new ATOM 0 HG2 GLU A 34 -7.178 -24.489 2.093 1.00 11.23 H new ATOM 0 HG3 GLU A 34 -6.580 -26.018 1.480 1.00 11.23 H new ATOM 526 N ASN A 35 -2.876 -26.928 1.914 1.00 51.23 N ATOM 527 CA ASN A 35 -2.396 -28.113 1.213 1.00 44.25 C ATOM 528 C ASN A 35 -0.918 -27.974 0.859 1.00 50.12 C ATOM 529 O ASN A 35 -0.106 -28.836 1.192 1.00 44.34 O ATOM 530 CB ASN A 35 -3.216 -28.347 -0.058 1.00 2.03 C ATOM 531 CG ASN A 35 -4.148 -29.537 0.067 1.00 42.31 C ATOM 532 OD1 ASN A 35 -5.348 -29.428 -0.185 1.00 61.32 O ATOM 533 ND2 ASN A 35 -3.598 -30.680 0.458 1.00 61.51 N ATOM 0 H ASN A 35 -2.158 -26.228 2.101 1.00 51.23 H new ATOM 0 HA ASN A 35 -2.514 -28.970 1.877 1.00 44.25 H new ATOM 0 HB2 ASN A 35 -3.799 -27.454 -0.280 1.00 2.03 H new ATOM 0 HB3 ASN A 35 -2.541 -28.504 -0.899 1.00 2.03 H new ATOM 0 HD21 ASN A 35 -4.175 -31.515 0.560 1.00 61.51 H new ATOM 0 HD22 ASN A 35 -2.598 -30.723 0.656 1.00 61.51 H new ATOM 540 N GLY A 36 -0.577 -26.881 0.182 1.00 71.41 N ATOM 541 CA GLY A 36 0.802 -26.649 -0.205 1.00 50.24 C ATOM 542 C GLY A 36 1.023 -26.820 -1.695 1.00 55.23 C ATOM 543 O GLY A 36 1.504 -25.908 -2.367 1.00 33.33 O ATOM 0 H GLY A 36 -1.231 -26.153 -0.105 1.00 71.41 H new ATOM 0 HA2 GLY A 36 1.094 -25.641 0.089 1.00 50.24 H new ATOM 0 HA3 GLY A 36 1.449 -27.339 0.337 1.00 50.24 H new ATOM 547 N ASN A 37 0.671 -27.992 -2.213 1.00 61.32 N ATOM 548 CA ASN A 37 0.836 -28.281 -3.633 1.00 53.33 C ATOM 549 C ASN A 37 0.061 -27.280 -4.485 1.00 10.30 C ATOM 550 O ASN A 37 0.343 -27.110 -5.670 1.00 44.45 O ATOM 551 CB ASN A 37 0.365 -29.703 -3.944 1.00 25.20 C ATOM 552 CG ASN A 37 -1.130 -29.872 -3.755 1.00 23.10 C ATOM 553 OD1 ASN A 37 -1.911 -29.667 -4.684 1.00 31.01 O ATOM 554 ND2 ASN A 37 -1.535 -30.248 -2.547 1.00 45.33 N ATOM 0 H ASN A 37 0.270 -28.757 -1.671 1.00 61.32 H new ATOM 0 HA ASN A 37 1.895 -28.195 -3.875 1.00 53.33 H new ATOM 0 HB2 ASN A 37 0.629 -29.954 -4.971 1.00 25.20 H new ATOM 0 HB3 ASN A 37 0.892 -30.406 -3.299 1.00 25.20 H new ATOM 0 HD21 ASN A 37 -2.529 -30.378 -2.360 1.00 45.33 H new ATOM 0 HD22 ASN A 37 -0.852 -30.407 -1.807 1.00 45.33 H new ATOM 561 N GLU A 38 -0.916 -26.620 -3.871 1.00 53.10 N ATOM 562 CA GLU A 38 -1.732 -25.636 -4.574 1.00 4.15 C ATOM 563 C GLU A 38 -1.087 -24.254 -4.516 1.00 65.20 C ATOM 564 O GLU A 38 -1.458 -23.351 -5.266 1.00 33.40 O ATOM 565 CB GLU A 38 -3.137 -25.581 -3.970 1.00 45.50 C ATOM 566 CG GLU A 38 -3.586 -26.894 -3.354 1.00 35.44 C ATOM 567 CD GLU A 38 -5.084 -27.108 -3.464 1.00 64.20 C ATOM 568 OE1 GLU A 38 -5.836 -26.124 -3.304 1.00 71.21 O ATOM 569 OE2 GLU A 38 -5.503 -28.258 -3.710 1.00 22.31 O ATOM 0 H GLU A 38 -1.162 -26.748 -2.889 1.00 53.10 H new ATOM 0 HA GLU A 38 -1.805 -25.941 -5.618 1.00 4.15 H new ATOM 0 HB2 GLU A 38 -3.165 -24.803 -3.207 1.00 45.50 H new ATOM 0 HB3 GLU A 38 -3.846 -25.292 -4.746 1.00 45.50 H new ATOM 0 HG2 GLU A 38 -3.068 -27.718 -3.845 1.00 35.44 H new ATOM 0 HG3 GLU A 38 -3.296 -26.916 -2.304 1.00 35.44 H new ATOM 576 N VAL A 39 -0.118 -24.097 -3.620 1.00 3.44 N ATOM 577 CA VAL A 39 0.580 -22.826 -3.463 1.00 61.03 C ATOM 578 C VAL A 39 1.784 -22.742 -4.394 1.00 64.34 C ATOM 579 O VAL A 39 2.064 -21.691 -4.973 1.00 23.34 O ATOM 580 CB VAL A 39 1.052 -22.620 -2.012 1.00 10.42 C ATOM 581 CG1 VAL A 39 1.431 -21.166 -1.775 1.00 12.41 C ATOM 582 CG2 VAL A 39 -0.025 -23.065 -1.034 1.00 4.24 C ATOM 0 H VAL A 39 0.202 -24.834 -2.992 1.00 3.44 H new ATOM 0 HA VAL A 39 -0.131 -22.041 -3.721 1.00 61.03 H new ATOM 0 HB VAL A 39 1.938 -23.233 -1.846 1.00 10.42 H new ATOM 0 HG11 VAL A 39 1.762 -21.040 -0.744 1.00 12.41 H new ATOM 0 HG12 VAL A 39 2.238 -20.885 -2.452 1.00 12.41 H new ATOM 0 HG13 VAL A 39 0.565 -20.530 -1.959 1.00 12.41 H new ATOM 0 HG21 VAL A 39 0.325 -22.913 -0.013 1.00 4.24 H new ATOM 0 HG22 VAL A 39 -0.930 -22.480 -1.198 1.00 4.24 H new ATOM 0 HG23 VAL A 39 -0.243 -24.122 -1.189 1.00 4.24 H new ATOM 592 N LEU A 40 2.494 -23.856 -4.536 1.00 21.31 N ATOM 593 CA LEU A 40 3.670 -23.910 -5.398 1.00 74.12 C ATOM 594 C LEU A 40 3.357 -23.348 -6.781 1.00 73.02 C ATOM 595 O LEU A 40 4.138 -22.579 -7.341 1.00 15.34 O ATOM 596 CB LEU A 40 4.170 -25.350 -5.522 1.00 23.32 C ATOM 597 CG LEU A 40 4.884 -25.703 -6.827 1.00 62.02 C ATOM 598 CD1 LEU A 40 6.043 -24.750 -7.076 1.00 61.31 C ATOM 599 CD2 LEU A 40 5.373 -27.144 -6.795 1.00 41.32 C ATOM 0 H LEU A 40 2.276 -24.734 -4.065 1.00 21.31 H new ATOM 0 HA LEU A 40 4.450 -23.299 -4.945 1.00 74.12 H new ATOM 0 HB2 LEU A 40 4.850 -25.550 -4.694 1.00 23.32 H new ATOM 0 HB3 LEU A 40 3.319 -26.020 -5.404 1.00 23.32 H new ATOM 0 HG LEU A 40 4.173 -25.600 -7.647 1.00 62.02 H new ATOM 0 HD11 LEU A 40 6.539 -25.017 -8.009 1.00 61.31 H new ATOM 0 HD12 LEU A 40 5.667 -23.729 -7.144 1.00 61.31 H new ATOM 0 HD13 LEU A 40 6.755 -24.820 -6.254 1.00 61.31 H new ATOM 0 HD21 LEU A 40 5.879 -27.378 -7.732 1.00 41.32 H new ATOM 0 HD22 LEU A 40 6.068 -27.274 -5.965 1.00 41.32 H new ATOM 0 HD23 LEU A 40 4.523 -27.814 -6.665 1.00 41.32 H new ATOM 611 N ALA A 41 2.208 -23.736 -7.326 1.00 64.11 N ATOM 612 CA ALA A 41 1.790 -23.268 -8.641 1.00 41.44 C ATOM 613 C ALA A 41 1.334 -21.814 -8.587 1.00 0.52 C ATOM 614 O ALA A 41 1.407 -21.092 -9.581 1.00 63.54 O ATOM 615 CB ALA A 41 0.678 -24.151 -9.187 1.00 63.35 C ATOM 0 H ALA A 41 1.551 -24.373 -6.876 1.00 64.11 H new ATOM 0 HA ALA A 41 2.649 -23.328 -9.310 1.00 41.44 H new ATOM 0 HB1 ALA A 41 0.376 -23.789 -10.170 1.00 63.35 H new ATOM 0 HB2 ALA A 41 1.037 -25.177 -9.272 1.00 63.35 H new ATOM 0 HB3 ALA A 41 -0.176 -24.120 -8.511 1.00 63.35 H new ATOM 621 N ALA A 42 0.863 -21.390 -7.419 1.00 15.51 N ATOM 622 CA ALA A 42 0.396 -20.021 -7.235 1.00 12.01 C ATOM 623 C ALA A 42 1.523 -19.021 -7.468 1.00 11.42 C ATOM 624 O ALA A 42 1.301 -17.932 -8.000 1.00 73.21 O ATOM 625 CB ALA A 42 -0.189 -19.846 -5.841 1.00 44.40 C ATOM 0 H ALA A 42 0.795 -21.975 -6.586 1.00 15.51 H new ATOM 0 HA ALA A 42 -0.384 -19.827 -7.971 1.00 12.01 H new ATOM 0 HB1 ALA A 42 -0.534 -18.819 -5.717 1.00 44.40 H new ATOM 0 HB2 ALA A 42 -1.028 -20.529 -5.710 1.00 44.40 H new ATOM 0 HB3 ALA A 42 0.576 -20.064 -5.095 1.00 44.40 H new ATOM 631 N LEU A 43 2.732 -19.395 -7.066 1.00 3.04 N ATOM 632 CA LEU A 43 3.895 -18.530 -7.230 1.00 42.30 C ATOM 633 C LEU A 43 4.099 -18.165 -8.697 1.00 3.31 C ATOM 634 O LEU A 43 4.497 -17.046 -9.019 1.00 2.53 O ATOM 635 CB LEU A 43 5.148 -19.217 -6.685 1.00 22.04 C ATOM 636 CG LEU A 43 4.950 -20.087 -5.443 1.00 73.30 C ATOM 637 CD1 LEU A 43 6.292 -20.525 -4.878 1.00 20.01 C ATOM 638 CD2 LEU A 43 4.144 -19.339 -4.391 1.00 22.33 C ATOM 0 H LEU A 43 2.933 -20.292 -6.624 1.00 3.04 H new ATOM 0 HA LEU A 43 3.717 -17.614 -6.667 1.00 42.30 H new ATOM 0 HB2 LEU A 43 5.571 -19.838 -7.475 1.00 22.04 H new ATOM 0 HB3 LEU A 43 5.887 -18.450 -6.453 1.00 22.04 H new ATOM 0 HG LEU A 43 4.393 -20.978 -5.732 1.00 73.30 H new ATOM 0 HD11 LEU A 43 6.131 -21.143 -3.995 1.00 20.01 H new ATOM 0 HD12 LEU A 43 6.833 -21.100 -5.629 1.00 20.01 H new ATOM 0 HD13 LEU A 43 6.876 -19.646 -4.604 1.00 20.01 H new ATOM 0 HD21 LEU A 43 4.013 -19.973 -3.514 1.00 22.33 H new ATOM 0 HD22 LEU A 43 4.673 -18.430 -4.105 1.00 22.33 H new ATOM 0 HD23 LEU A 43 3.168 -19.077 -4.799 1.00 22.33 H new ATOM 650 N ALA A 44 3.822 -19.116 -9.582 1.00 62.42 N ATOM 651 CA ALA A 44 3.971 -18.894 -11.015 1.00 2.30 C ATOM 652 C ALA A 44 3.000 -17.827 -11.509 1.00 1.33 C ATOM 653 O ALA A 44 3.122 -17.334 -12.630 1.00 3.41 O ATOM 654 CB ALA A 44 3.761 -20.194 -11.776 1.00 32.41 C ATOM 0 H ALA A 44 3.493 -20.048 -9.332 1.00 62.42 H new ATOM 0 HA ALA A 44 4.985 -18.539 -11.199 1.00 2.30 H new ATOM 0 HB1 ALA A 44 3.875 -20.013 -12.845 1.00 32.41 H new ATOM 0 HB2 ALA A 44 4.498 -20.929 -11.452 1.00 32.41 H new ATOM 0 HB3 ALA A 44 2.759 -20.574 -11.578 1.00 32.41 H new ATOM 660 N SER A 45 2.035 -17.475 -10.665 1.00 23.13 N ATOM 661 CA SER A 45 1.040 -16.469 -11.018 1.00 20.55 C ATOM 662 C SER A 45 1.624 -15.064 -10.904 1.00 34.42 C ATOM 663 O SER A 45 1.871 -14.398 -11.909 1.00 71.44 O ATOM 664 CB SER A 45 -0.188 -16.598 -10.115 1.00 34.42 C ATOM 665 OG SER A 45 -0.691 -17.923 -10.123 1.00 62.45 O ATOM 0 H SER A 45 1.921 -17.872 -9.732 1.00 23.13 H new ATOM 0 HA SER A 45 0.741 -16.636 -12.053 1.00 20.55 H new ATOM 0 HB2 SER A 45 0.074 -16.312 -9.097 1.00 34.42 H new ATOM 0 HB3 SER A 45 -0.964 -15.909 -10.450 1.00 34.42 H new ATOM 0 HG SER A 45 -1.474 -17.979 -9.537 1.00 62.45 H new ATOM 671 N LYS A 46 1.841 -14.619 -9.671 1.00 65.20 N ATOM 672 CA LYS A 46 2.397 -13.294 -9.423 1.00 20.25 C ATOM 673 C LYS A 46 3.672 -13.386 -8.590 1.00 61.14 C ATOM 674 O LYS A 46 4.408 -12.408 -8.452 1.00 33.24 O ATOM 675 CB LYS A 46 1.370 -12.414 -8.706 1.00 62.21 C ATOM 676 CG LYS A 46 0.890 -12.992 -7.386 1.00 53.21 C ATOM 677 CD LYS A 46 -0.483 -12.460 -7.011 1.00 54.34 C ATOM 678 CE LYS A 46 -0.417 -11.004 -6.575 1.00 71.03 C ATOM 679 NZ LYS A 46 -1.335 -10.144 -7.372 1.00 41.14 N ATOM 0 H LYS A 46 1.640 -15.157 -8.828 1.00 65.20 H new ATOM 0 HA LYS A 46 2.644 -12.845 -10.385 1.00 20.25 H new ATOM 0 HB2 LYS A 46 1.808 -11.432 -8.525 1.00 62.21 H new ATOM 0 HB3 LYS A 46 0.512 -12.264 -9.361 1.00 62.21 H new ATOM 0 HG2 LYS A 46 0.853 -14.079 -7.456 1.00 53.21 H new ATOM 0 HG3 LYS A 46 1.604 -12.747 -6.599 1.00 53.21 H new ATOM 0 HD2 LYS A 46 -1.156 -12.556 -7.863 1.00 54.34 H new ATOM 0 HD3 LYS A 46 -0.901 -13.064 -6.205 1.00 54.34 H new ATOM 0 HE2 LYS A 46 -0.675 -10.929 -5.519 1.00 71.03 H new ATOM 0 HE3 LYS A 46 0.605 -10.639 -6.680 1.00 71.03 H new ATOM 0 HZ1 LYS A 46 -1.261 -9.160 -7.044 1.00 41.14 H new ATOM 0 HZ2 LYS A 46 -1.073 -10.195 -8.377 1.00 41.14 H new ATOM 0 HZ3 LYS A 46 -2.313 -10.476 -7.252 1.00 41.14 H new ATOM 693 N THR A 47 3.930 -14.568 -8.039 1.00 33.11 N ATOM 694 CA THR A 47 5.116 -14.788 -7.221 1.00 52.31 C ATOM 695 C THR A 47 5.120 -13.873 -6.001 1.00 73.34 C ATOM 696 O THR A 47 5.348 -12.667 -6.100 1.00 72.52 O ATOM 697 CB THR A 47 6.406 -14.553 -8.029 1.00 4.14 C ATOM 698 OG1 THR A 47 6.093 -14.394 -9.417 1.00 5.22 O ATOM 699 CG2 THR A 47 7.374 -15.713 -7.851 1.00 62.14 C ATOM 0 H THR A 47 3.333 -15.388 -8.145 1.00 33.11 H new ATOM 0 HA THR A 47 5.086 -15.827 -6.892 1.00 52.31 H new ATOM 0 HB THR A 47 6.881 -13.644 -7.658 1.00 4.14 H new ATOM 0 HG1 THR A 47 6.918 -14.244 -9.923 1.00 5.22 H new ATOM 0 HG21 THR A 47 8.278 -15.525 -8.431 1.00 62.14 H new ATOM 0 HG22 THR A 47 7.633 -15.812 -6.797 1.00 62.14 H new ATOM 0 HG23 THR A 47 6.906 -16.634 -8.198 1.00 62.14 H new ATOM 707 N PRO A 48 4.862 -14.458 -4.822 1.00 10.31 N ATOM 708 CA PRO A 48 4.831 -13.713 -3.559 1.00 64.25 C ATOM 709 C PRO A 48 6.216 -13.238 -3.133 1.00 22.53 C ATOM 710 O PRO A 48 7.225 -13.631 -3.719 1.00 42.30 O ATOM 711 CB PRO A 48 4.284 -14.734 -2.559 1.00 21.12 C ATOM 712 CG PRO A 48 4.641 -16.060 -3.137 1.00 11.12 C ATOM 713 CD PRO A 48 4.581 -15.890 -4.630 1.00 22.42 C ATOM 0 HA PRO A 48 4.231 -12.806 -3.634 1.00 64.25 H new ATOM 0 HB2 PRO A 48 4.729 -14.599 -1.573 1.00 21.12 H new ATOM 0 HB3 PRO A 48 3.205 -14.632 -2.439 1.00 21.12 H new ATOM 0 HG2 PRO A 48 5.637 -16.369 -2.819 1.00 11.12 H new ATOM 0 HG3 PRO A 48 3.946 -16.831 -2.804 1.00 11.12 H new ATOM 0 HD2 PRO A 48 5.317 -16.515 -5.135 1.00 22.42 H new ATOM 0 HD3 PRO A 48 3.604 -16.164 -5.027 1.00 22.42 H new ATOM 721 N ASP A 49 6.257 -12.393 -2.109 1.00 21.11 N ATOM 722 CA ASP A 49 7.519 -11.866 -1.602 1.00 60.05 C ATOM 723 C ASP A 49 7.969 -12.631 -0.362 1.00 32.32 C ATOM 724 O ASP A 49 9.071 -12.421 0.145 1.00 61.05 O ATOM 725 CB ASP A 49 7.381 -10.378 -1.277 1.00 32.02 C ATOM 726 CG ASP A 49 8.669 -9.612 -1.509 1.00 34.53 C ATOM 727 OD1 ASP A 49 9.723 -10.061 -1.012 1.00 14.13 O ATOM 728 OD2 ASP A 49 8.622 -8.564 -2.187 1.00 24.44 O ATOM 0 H ASP A 49 5.431 -12.058 -1.613 1.00 21.11 H new ATOM 0 HA ASP A 49 8.274 -11.992 -2.378 1.00 60.05 H new ATOM 0 HB2 ASP A 49 6.590 -9.947 -1.891 1.00 32.02 H new ATOM 0 HB3 ASP A 49 7.076 -10.263 -0.237 1.00 32.02 H new ATOM 733 N VAL A 50 7.107 -13.520 0.124 1.00 4.40 N ATOM 734 CA VAL A 50 7.416 -14.316 1.305 1.00 33.45 C ATOM 735 C VAL A 50 6.294 -15.302 1.611 1.00 30.53 C ATOM 736 O VAL A 50 5.125 -15.037 1.329 1.00 72.02 O ATOM 737 CB VAL A 50 7.650 -13.424 2.539 1.00 64.13 C ATOM 738 CG1 VAL A 50 6.384 -12.660 2.894 1.00 31.32 C ATOM 739 CG2 VAL A 50 8.128 -14.259 3.717 1.00 35.42 C ATOM 0 H VAL A 50 6.190 -13.706 -0.282 1.00 4.40 H new ATOM 0 HA VAL A 50 8.331 -14.866 1.085 1.00 33.45 H new ATOM 0 HB VAL A 50 8.427 -12.698 2.299 1.00 64.13 H new ATOM 0 HG11 VAL A 50 6.569 -12.036 3.768 1.00 31.32 H new ATOM 0 HG12 VAL A 50 6.091 -12.031 2.054 1.00 31.32 H new ATOM 0 HG13 VAL A 50 5.583 -13.366 3.115 1.00 31.32 H new ATOM 0 HG21 VAL A 50 8.288 -13.613 4.580 1.00 35.42 H new ATOM 0 HG22 VAL A 50 7.376 -15.009 3.960 1.00 35.42 H new ATOM 0 HG23 VAL A 50 9.063 -14.754 3.456 1.00 35.42 H new ATOM 749 N LEU A 51 6.657 -16.441 2.191 1.00 72.42 N ATOM 750 CA LEU A 51 5.681 -17.469 2.537 1.00 54.15 C ATOM 751 C LEU A 51 5.847 -17.912 3.987 1.00 54.14 C ATOM 752 O LEU A 51 6.952 -17.896 4.529 1.00 3.02 O ATOM 753 CB LEU A 51 5.826 -18.673 1.604 1.00 53.42 C ATOM 754 CG LEU A 51 4.569 -19.081 0.835 1.00 51.05 C ATOM 755 CD1 LEU A 51 4.933 -19.585 -0.553 1.00 53.25 C ATOM 756 CD2 LEU A 51 3.794 -20.142 1.603 1.00 44.21 C ATOM 0 H LEU A 51 7.620 -16.676 2.432 1.00 72.42 H new ATOM 0 HA LEU A 51 4.685 -17.043 2.418 1.00 54.15 H new ATOM 0 HB2 LEU A 51 6.614 -18.456 0.883 1.00 53.42 H new ATOM 0 HB3 LEU A 51 6.160 -19.527 2.194 1.00 53.42 H new ATOM 0 HG LEU A 51 3.932 -18.203 0.726 1.00 51.05 H new ATOM 0 HD11 LEU A 51 4.026 -19.871 -1.086 1.00 53.25 H new ATOM 0 HD12 LEU A 51 5.444 -18.796 -1.104 1.00 53.25 H new ATOM 0 HD13 LEU A 51 5.590 -20.450 -0.465 1.00 53.25 H new ATOM 0 HD21 LEU A 51 2.903 -20.420 1.040 1.00 44.21 H new ATOM 0 HD22 LEU A 51 4.423 -21.021 1.744 1.00 44.21 H new ATOM 0 HD23 LEU A 51 3.501 -19.746 2.575 1.00 44.21 H new ATOM 768 N LEU A 52 4.742 -18.309 4.609 1.00 51.24 N ATOM 769 CA LEU A 52 4.765 -18.759 5.996 1.00 72.10 C ATOM 770 C LEU A 52 3.920 -20.016 6.174 1.00 31.44 C ATOM 771 O LEU A 52 2.734 -19.939 6.495 1.00 71.11 O ATOM 772 CB LEU A 52 4.254 -17.652 6.920 1.00 24.45 C ATOM 773 CG LEU A 52 5.151 -16.421 7.052 1.00 50.35 C ATOM 774 CD1 LEU A 52 5.040 -15.545 5.813 1.00 60.52 C ATOM 775 CD2 LEU A 52 4.790 -15.629 8.300 1.00 24.12 C ATOM 0 H LEU A 52 3.819 -18.328 4.175 1.00 51.24 H new ATOM 0 HA LEU A 52 5.796 -18.996 6.259 1.00 72.10 H new ATOM 0 HB2 LEU A 52 3.277 -17.328 6.561 1.00 24.45 H new ATOM 0 HB3 LEU A 52 4.104 -18.076 7.913 1.00 24.45 H new ATOM 0 HG LEU A 52 6.184 -16.756 7.145 1.00 50.35 H new ATOM 0 HD11 LEU A 52 5.685 -14.674 5.925 1.00 60.52 H new ATOM 0 HD12 LEU A 52 5.348 -16.114 4.936 1.00 60.52 H new ATOM 0 HD13 LEU A 52 4.007 -15.219 5.690 1.00 60.52 H new ATOM 0 HD21 LEU A 52 5.439 -14.757 8.378 1.00 24.12 H new ATOM 0 HD22 LEU A 52 3.751 -15.304 8.237 1.00 24.12 H new ATOM 0 HD23 LEU A 52 4.921 -16.258 9.181 1.00 24.12 H new ATOM 787 N SER A 53 4.539 -21.174 5.967 1.00 43.14 N ATOM 788 CA SER A 53 3.844 -22.448 6.103 1.00 71.41 C ATOM 789 C SER A 53 3.853 -22.920 7.554 1.00 51.31 C ATOM 790 O SER A 53 4.895 -22.928 8.209 1.00 63.21 O ATOM 791 CB SER A 53 4.492 -23.506 5.207 1.00 4.33 C ATOM 792 OG SER A 53 5.634 -24.070 5.829 1.00 32.21 O ATOM 0 H SER A 53 5.521 -21.256 5.704 1.00 43.14 H new ATOM 0 HA SER A 53 2.809 -22.303 5.792 1.00 71.41 H new ATOM 0 HB2 SER A 53 3.769 -24.291 4.985 1.00 4.33 H new ATOM 0 HB3 SER A 53 4.777 -23.057 4.256 1.00 4.33 H new ATOM 0 HG SER A 53 5.935 -24.849 5.316 1.00 32.21 H new ATOM 798 N ASP A 54 2.684 -23.311 8.049 1.00 1.13 N ATOM 799 CA ASP A 54 2.556 -23.785 9.422 1.00 12.05 C ATOM 800 C ASP A 54 3.076 -25.213 9.555 1.00 1.23 C ATOM 801 O ASP A 54 3.365 -25.678 10.658 1.00 65.20 O ATOM 802 CB ASP A 54 1.096 -23.717 9.874 1.00 41.22 C ATOM 803 CG ASP A 54 0.902 -24.234 11.286 1.00 72.14 C ATOM 804 OD1 ASP A 54 1.839 -24.102 12.101 1.00 41.24 O ATOM 805 OD2 ASP A 54 -0.188 -24.770 11.576 1.00 63.42 O ATOM 0 H ASP A 54 1.812 -23.309 7.520 1.00 1.13 H new ATOM 0 HA ASP A 54 3.157 -23.138 10.061 1.00 12.05 H new ATOM 0 HB2 ASP A 54 0.749 -22.685 9.817 1.00 41.22 H new ATOM 0 HB3 ASP A 54 0.479 -24.299 9.189 1.00 41.22 H new ATOM 810 N ILE A 55 3.191 -25.903 8.425 1.00 2.45 N ATOM 811 CA ILE A 55 3.676 -27.277 8.416 1.00 24.02 C ATOM 812 C ILE A 55 2.876 -28.149 9.378 1.00 41.03 C ATOM 813 O ILE A 55 3.216 -28.266 10.555 1.00 12.53 O ATOM 814 CB ILE A 55 5.168 -27.350 8.795 1.00 74.24 C ATOM 815 CG1 ILE A 55 5.994 -26.448 7.876 1.00 61.11 C ATOM 816 CG2 ILE A 55 5.663 -28.787 8.721 1.00 52.23 C ATOM 817 CD1 ILE A 55 7.474 -26.460 8.189 1.00 11.35 C ATOM 0 H ILE A 55 2.955 -25.533 7.504 1.00 2.45 H new ATOM 0 HA ILE A 55 3.549 -27.650 7.400 1.00 24.02 H new ATOM 0 HB ILE A 55 5.286 -26.998 9.820 1.00 74.24 H new ATOM 0 HG12 ILE A 55 5.847 -26.763 6.843 1.00 61.11 H new ATOM 0 HG13 ILE A 55 5.623 -25.426 7.954 1.00 61.11 H new ATOM 0 HG21 ILE A 55 6.718 -28.823 8.991 1.00 52.23 H new ATOM 0 HG22 ILE A 55 5.090 -29.405 9.412 1.00 52.23 H new ATOM 0 HG23 ILE A 55 5.535 -29.164 7.706 1.00 52.23 H new ATOM 0 HD11 ILE A 55 7.997 -25.799 7.498 1.00 11.35 H new ATOM 0 HD12 ILE A 55 7.633 -26.116 9.211 1.00 11.35 H new ATOM 0 HD13 ILE A 55 7.860 -27.474 8.083 1.00 11.35 H new ATOM 920 N GLY A 62 5.598 -30.410 5.168 1.00 20.02 N ATOM 921 CA GLY A 62 5.744 -28.966 5.151 1.00 72.34 C ATOM 922 C GLY A 62 6.906 -28.511 4.290 1.00 20.44 C ATOM 923 O GLY A 62 6.744 -27.661 3.414 1.00 21.00 O ATOM 0 HA2 GLY A 62 4.823 -28.515 4.781 1.00 72.34 H new ATOM 0 HA3 GLY A 62 5.888 -28.606 6.170 1.00 72.34 H new ATOM 927 N LEU A 63 8.082 -29.077 4.541 1.00 51.44 N ATOM 928 CA LEU A 63 9.277 -28.723 3.783 1.00 4.11 C ATOM 929 C LEU A 63 9.311 -29.455 2.445 1.00 14.32 C ATOM 930 O LEU A 63 10.057 -29.082 1.541 1.00 50.53 O ATOM 931 CB LEU A 63 10.533 -29.055 4.590 1.00 25.24 C ATOM 932 CG LEU A 63 10.678 -30.510 5.038 1.00 21.14 C ATOM 933 CD1 LEU A 63 11.178 -31.375 3.891 1.00 1.45 C ATOM 934 CD2 LEU A 63 11.616 -30.610 6.232 1.00 4.32 C ATOM 0 H LEU A 63 8.233 -29.782 5.263 1.00 51.44 H new ATOM 0 HA LEU A 63 9.249 -27.651 3.589 1.00 4.11 H new ATOM 0 HB2 LEU A 63 11.405 -28.791 3.992 1.00 25.24 H new ATOM 0 HB3 LEU A 63 10.550 -28.420 5.476 1.00 25.24 H new ATOM 0 HG LEU A 63 9.697 -30.876 5.341 1.00 21.14 H new ATOM 0 HD11 LEU A 63 11.275 -32.407 4.229 1.00 1.45 H new ATOM 0 HD12 LEU A 63 10.469 -31.329 3.065 1.00 1.45 H new ATOM 0 HD13 LEU A 63 12.149 -31.010 3.557 1.00 1.45 H new ATOM 0 HD21 LEU A 63 11.707 -31.653 6.537 1.00 4.32 H new ATOM 0 HD22 LEU A 63 12.598 -30.225 5.956 1.00 4.32 H new ATOM 0 HD23 LEU A 63 11.216 -30.024 7.059 1.00 4.32 H new ATOM 946 N ALA A 64 8.495 -30.497 2.326 1.00 21.45 N ATOM 947 CA ALA A 64 8.428 -31.279 1.098 1.00 40.21 C ATOM 948 C ALA A 64 8.405 -30.373 -0.128 1.00 43.34 C ATOM 949 O ALA A 64 9.249 -30.493 -1.017 1.00 45.45 O ATOM 950 CB ALA A 64 7.203 -32.181 1.112 1.00 21.15 C ATOM 0 H ALA A 64 7.871 -30.819 3.066 1.00 21.45 H new ATOM 0 HA ALA A 64 9.322 -31.900 1.043 1.00 40.21 H new ATOM 0 HB1 ALA A 64 7.166 -32.759 0.189 1.00 21.15 H new ATOM 0 HB2 ALA A 64 7.261 -32.860 1.963 1.00 21.15 H new ATOM 0 HB3 ALA A 64 6.303 -31.571 1.195 1.00 21.15 H new ATOM 956 N LEU A 65 7.435 -29.467 -0.171 1.00 14.21 N ATOM 957 CA LEU A 65 7.302 -28.540 -1.290 1.00 15.15 C ATOM 958 C LEU A 65 8.182 -27.311 -1.086 1.00 65.45 C ATOM 959 O LEU A 65 8.582 -26.655 -2.049 1.00 11.40 O ATOM 960 CB LEU A 65 5.842 -28.113 -1.453 1.00 74.30 C ATOM 961 CG LEU A 65 5.393 -26.919 -0.610 1.00 50.14 C ATOM 962 CD1 LEU A 65 4.006 -26.459 -1.032 1.00 20.10 C ATOM 963 CD2 LEU A 65 5.413 -27.273 0.870 1.00 54.25 C ATOM 0 H LEU A 65 6.729 -29.354 0.556 1.00 14.21 H new ATOM 0 HA LEU A 65 7.628 -29.052 -2.195 1.00 15.15 H new ATOM 0 HB2 LEU A 65 5.669 -27.876 -2.503 1.00 74.30 H new ATOM 0 HB3 LEU A 65 5.206 -28.964 -1.209 1.00 74.30 H new ATOM 0 HG LEU A 65 6.091 -26.099 -0.776 1.00 50.14 H new ATOM 0 HD11 LEU A 65 3.703 -25.609 -0.421 1.00 20.10 H new ATOM 0 HD12 LEU A 65 4.024 -26.164 -2.081 1.00 20.10 H new ATOM 0 HD13 LEU A 65 3.295 -27.274 -0.897 1.00 20.10 H new ATOM 0 HD21 LEU A 65 5.091 -26.411 1.455 1.00 54.25 H new ATOM 0 HD22 LEU A 65 4.738 -28.109 1.053 1.00 54.25 H new ATOM 0 HD23 LEU A 65 6.425 -27.553 1.164 1.00 54.25 H new ATOM 975 N LEU A 66 8.484 -27.007 0.171 1.00 32.30 N ATOM 976 CA LEU A 66 9.320 -25.859 0.501 1.00 2.51 C ATOM 977 C LEU A 66 10.752 -26.072 0.021 1.00 3.15 C ATOM 978 O LEU A 66 11.500 -25.115 -0.180 1.00 64.02 O ATOM 979 CB LEU A 66 9.307 -25.610 2.010 1.00 23.24 C ATOM 980 CG LEU A 66 9.015 -24.176 2.452 1.00 5.32 C ATOM 981 CD1 LEU A 66 8.077 -24.166 3.649 1.00 71.32 C ATOM 982 CD2 LEU A 66 10.309 -23.445 2.781 1.00 23.31 C ATOM 0 H LEU A 66 8.162 -27.540 0.979 1.00 32.30 H new ATOM 0 HA LEU A 66 8.912 -24.986 -0.008 1.00 2.51 H new ATOM 0 HB2 LEU A 66 8.562 -26.266 2.460 1.00 23.24 H new ATOM 0 HB3 LEU A 66 10.276 -25.903 2.415 1.00 23.24 H new ATOM 0 HG LEU A 66 8.526 -23.656 1.629 1.00 5.32 H new ATOM 0 HD11 LEU A 66 7.881 -23.137 3.949 1.00 71.32 H new ATOM 0 HD12 LEU A 66 7.138 -24.651 3.380 1.00 71.32 H new ATOM 0 HD13 LEU A 66 8.538 -24.704 4.477 1.00 71.32 H new ATOM 0 HD21 LEU A 66 10.082 -22.426 3.094 1.00 23.31 H new ATOM 0 HD22 LEU A 66 10.826 -23.965 3.587 1.00 23.31 H new ATOM 0 HD23 LEU A 66 10.947 -23.420 1.898 1.00 23.31 H new ATOM 994 N LYS A 67 11.128 -27.333 -0.162 1.00 33.35 N ATOM 995 CA LYS A 67 12.469 -27.674 -0.621 1.00 52.02 C ATOM 996 C LYS A 67 12.711 -27.145 -2.031 1.00 65.11 C ATOM 997 O LYS A 67 13.851 -26.889 -2.419 1.00 52.52 O ATOM 998 CB LYS A 67 12.670 -29.191 -0.592 1.00 41.23 C ATOM 999 CG LYS A 67 12.978 -29.737 0.791 1.00 30.30 C ATOM 1000 CD LYS A 67 14.351 -29.299 1.271 1.00 45.02 C ATOM 1001 CE LYS A 67 15.456 -29.865 0.391 1.00 11.41 C ATOM 1002 NZ LYS A 67 16.734 -30.022 1.138 1.00 23.34 N ATOM 0 H LYS A 67 10.522 -28.137 0.001 1.00 33.35 H new ATOM 0 HA LYS A 67 13.187 -27.206 0.052 1.00 52.02 H new ATOM 0 HB2 LYS A 67 11.771 -29.676 -0.973 1.00 41.23 H new ATOM 0 HB3 LYS A 67 13.484 -29.454 -1.267 1.00 41.23 H new ATOM 0 HG2 LYS A 67 12.219 -29.395 1.495 1.00 30.30 H new ATOM 0 HG3 LYS A 67 12.928 -30.826 0.773 1.00 30.30 H new ATOM 0 HD2 LYS A 67 14.407 -28.210 1.272 1.00 45.02 H new ATOM 0 HD3 LYS A 67 14.500 -29.627 2.300 1.00 45.02 H new ATOM 0 HE2 LYS A 67 15.146 -30.832 -0.005 1.00 11.41 H new ATOM 0 HE3 LYS A 67 15.613 -29.206 -0.463 1.00 11.41 H new ATOM 0 HZ1 LYS A 67 17.461 -30.410 0.504 1.00 23.34 H new ATOM 0 HZ2 LYS A 67 17.044 -29.095 1.494 1.00 23.34 H new ATOM 0 HZ3 LYS A 67 16.591 -30.670 1.938 1.00 23.34 H new ATOM 1016 N GLN A 68 11.633 -26.983 -2.791 1.00 64.44 N ATOM 1017 CA GLN A 68 11.731 -26.484 -4.158 1.00 33.11 C ATOM 1018 C GLN A 68 11.716 -24.959 -4.183 1.00 33.24 C ATOM 1019 O GLN A 68 12.237 -24.339 -5.110 1.00 10.12 O ATOM 1020 CB GLN A 68 10.581 -27.031 -5.006 1.00 64.02 C ATOM 1021 CG GLN A 68 9.298 -26.226 -4.883 1.00 52.24 C ATOM 1022 CD GLN A 68 8.057 -27.097 -4.913 1.00 44.10 C ATOM 1023 OE1 GLN A 68 8.057 -28.177 -5.505 1.00 1.23 O ATOM 1024 NE2 GLN A 68 6.991 -26.631 -4.273 1.00 23.22 N ATOM 0 H GLN A 68 10.682 -27.190 -2.484 1.00 64.44 H new ATOM 0 HA GLN A 68 12.677 -26.827 -4.577 1.00 33.11 H new ATOM 0 HB2 GLN A 68 10.889 -27.051 -6.051 1.00 64.02 H new ATOM 0 HB3 GLN A 68 10.383 -28.062 -4.713 1.00 64.02 H new ATOM 0 HG2 GLN A 68 9.317 -25.659 -3.952 1.00 52.24 H new ATOM 0 HG3 GLN A 68 9.249 -25.502 -5.696 1.00 52.24 H new ATOM 0 HE21 GLN A 68 7.036 -25.731 -3.796 1.00 23.22 H new ATOM 0 HE22 GLN A 68 6.127 -27.173 -4.259 1.00 23.22 H new ATOM 1033 N ILE A 69 11.115 -24.362 -3.159 1.00 3.21 N ATOM 1034 CA ILE A 69 11.033 -22.910 -3.064 1.00 5.45 C ATOM 1035 C ILE A 69 12.421 -22.278 -3.091 1.00 41.11 C ATOM 1036 O ILE A 69 12.583 -21.126 -3.493 1.00 42.45 O ATOM 1037 CB ILE A 69 10.307 -22.470 -1.779 1.00 10.23 C ATOM 1038 CG1 ILE A 69 8.844 -22.917 -1.816 1.00 1.34 C ATOM 1039 CG2 ILE A 69 10.401 -20.961 -1.607 1.00 25.12 C ATOM 1040 CD1 ILE A 69 8.051 -22.490 -0.600 1.00 23.41 C ATOM 0 H ILE A 69 10.678 -24.861 -2.384 1.00 3.21 H new ATOM 0 HA ILE A 69 10.464 -22.569 -3.929 1.00 5.45 H new ATOM 0 HB ILE A 69 10.791 -22.944 -0.925 1.00 10.23 H new ATOM 0 HG12 ILE A 69 8.371 -22.510 -2.710 1.00 1.34 H new ATOM 0 HG13 ILE A 69 8.806 -24.003 -1.901 1.00 1.34 H new ATOM 0 HG21 ILE A 69 9.883 -20.666 -0.694 1.00 25.12 H new ATOM 0 HG22 ILE A 69 11.448 -20.667 -1.541 1.00 25.12 H new ATOM 0 HG23 ILE A 69 9.939 -20.468 -2.462 1.00 25.12 H new ATOM 0 HD11 ILE A 69 7.023 -22.841 -0.694 1.00 23.41 H new ATOM 0 HD12 ILE A 69 8.500 -22.918 0.296 1.00 23.41 H new ATOM 0 HD13 ILE A 69 8.058 -21.403 -0.525 1.00 23.41 H new ATOM 1052 N LYS A 70 13.421 -23.041 -2.662 1.00 50.52 N ATOM 1053 CA LYS A 70 14.797 -22.558 -2.640 1.00 72.20 C ATOM 1054 C LYS A 70 15.438 -22.679 -4.019 1.00 20.03 C ATOM 1055 O LYS A 70 16.407 -21.985 -4.325 1.00 11.32 O ATOM 1056 CB LYS A 70 15.617 -23.342 -1.614 1.00 24.53 C ATOM 1057 CG LYS A 70 15.075 -23.245 -0.198 1.00 52.13 C ATOM 1058 CD LYS A 70 15.404 -21.903 0.434 1.00 42.12 C ATOM 1059 CE LYS A 70 14.359 -21.500 1.462 1.00 14.42 C ATOM 1060 NZ LYS A 70 13.011 -21.340 0.850 1.00 73.35 N ATOM 0 H LYS A 70 13.304 -23.997 -2.325 1.00 50.52 H new ATOM 0 HA LYS A 70 14.782 -21.506 -2.357 1.00 72.20 H new ATOM 0 HB2 LYS A 70 15.648 -24.390 -1.911 1.00 24.53 H new ATOM 0 HB3 LYS A 70 16.644 -22.977 -1.627 1.00 24.53 H new ATOM 0 HG2 LYS A 70 13.994 -23.387 -0.210 1.00 52.13 H new ATOM 0 HG3 LYS A 70 15.495 -24.047 0.409 1.00 52.13 H new ATOM 0 HD2 LYS A 70 16.383 -21.954 0.910 1.00 42.12 H new ATOM 0 HD3 LYS A 70 15.466 -21.140 -0.342 1.00 42.12 H new ATOM 0 HE2 LYS A 70 14.314 -22.254 2.248 1.00 14.42 H new ATOM 0 HE3 LYS A 70 14.657 -20.564 1.935 1.00 14.42 H new ATOM 0 HZ1 LYS A 70 12.635 -20.398 1.080 1.00 73.35 H new ATOM 0 HZ2 LYS A 70 13.084 -21.440 -0.183 1.00 73.35 H new ATOM 0 HZ3 LYS A 70 12.371 -22.069 1.224 1.00 73.35 H new ATOM 1074 N GLN A 71 14.890 -23.563 -4.846 1.00 30.42 N ATOM 1075 CA GLN A 71 15.409 -23.773 -6.192 1.00 62.41 C ATOM 1076 C GLN A 71 14.723 -22.847 -7.191 1.00 21.03 C ATOM 1077 O GLN A 71 15.368 -22.289 -8.079 1.00 31.02 O ATOM 1078 CB GLN A 71 15.216 -25.231 -6.614 1.00 41.24 C ATOM 1079 CG GLN A 71 15.553 -25.491 -8.074 1.00 35.01 C ATOM 1080 CD GLN A 71 16.050 -26.903 -8.315 1.00 51.44 C ATOM 1081 OE1 GLN A 71 15.486 -27.642 -9.122 1.00 72.41 O ATOM 1082 NE2 GLN A 71 17.112 -27.284 -7.616 1.00 22.01 N ATOM 0 H GLN A 71 14.087 -24.145 -4.608 1.00 30.42 H new ATOM 0 HA GLN A 71 16.474 -23.542 -6.183 1.00 62.41 H new ATOM 0 HB2 GLN A 71 15.840 -25.868 -5.987 1.00 41.24 H new ATOM 0 HB3 GLN A 71 14.181 -25.520 -6.432 1.00 41.24 H new ATOM 0 HG2 GLN A 71 14.668 -25.312 -8.685 1.00 35.01 H new ATOM 0 HG3 GLN A 71 16.314 -24.781 -8.399 1.00 35.01 H new ATOM 0 HE21 GLN A 71 17.548 -26.638 -6.958 1.00 22.01 H new ATOM 0 HE22 GLN A 71 17.492 -28.223 -7.737 1.00 22.01 H new ATOM 1091 N ARG A 72 13.412 -22.688 -7.039 1.00 64.43 N ATOM 1092 CA ARG A 72 12.639 -21.831 -7.929 1.00 53.10 C ATOM 1093 C ARG A 72 12.717 -20.374 -7.484 1.00 2.44 C ATOM 1094 O ARG A 72 12.798 -19.464 -8.310 1.00 64.31 O ATOM 1095 CB ARG A 72 11.179 -22.285 -7.968 1.00 35.51 C ATOM 1096 CG ARG A 72 10.883 -23.293 -9.067 1.00 42.44 C ATOM 1097 CD ARG A 72 9.390 -23.541 -9.208 1.00 73.44 C ATOM 1098 NE ARG A 72 9.054 -24.145 -10.495 1.00 45.34 N ATOM 1099 CZ ARG A 72 8.970 -23.458 -11.629 1.00 41.03 C ATOM 1100 NH1 ARG A 72 9.196 -22.151 -11.635 1.00 72.53 N ATOM 1101 NH2 ARG A 72 8.660 -24.078 -12.761 1.00 30.24 N ATOM 0 H ARG A 72 12.864 -23.141 -6.308 1.00 64.43 H new ATOM 0 HA ARG A 72 13.065 -21.911 -8.929 1.00 53.10 H new ATOM 0 HB2 ARG A 72 10.918 -22.723 -7.005 1.00 35.51 H new ATOM 0 HB3 ARG A 72 10.540 -21.413 -8.105 1.00 35.51 H new ATOM 0 HG2 ARG A 72 11.283 -22.929 -10.013 1.00 42.44 H new ATOM 0 HG3 ARG A 72 11.390 -24.233 -8.847 1.00 42.44 H new ATOM 0 HD2 ARG A 72 9.053 -24.194 -8.402 1.00 73.44 H new ATOM 0 HD3 ARG A 72 8.854 -22.598 -9.099 1.00 73.44 H new ATOM 0 HE ARG A 72 8.874 -25.149 -10.525 1.00 45.34 H new ATOM 0 HH11 ARG A 72 9.435 -21.671 -10.767 1.00 72.53 H new ATOM 0 HH12 ARG A 72 9.131 -21.626 -12.507 1.00 72.53 H new ATOM 0 HH21 ARG A 72 8.486 -25.083 -12.761 1.00 30.24 H new ATOM 0 HH22 ARG A 72 8.596 -23.549 -13.631 1.00 30.24 H new ATOM 1115 N HIS A 73 12.692 -20.159 -6.172 1.00 40.20 N ATOM 1116 CA HIS A 73 12.760 -18.812 -5.616 1.00 44.15 C ATOM 1117 C HIS A 73 13.799 -18.736 -4.501 1.00 73.31 C ATOM 1118 O HIS A 73 13.469 -18.652 -3.318 1.00 2.41 O ATOM 1119 CB HIS A 73 11.392 -18.387 -5.084 1.00 55.35 C ATOM 1120 CG HIS A 73 10.251 -18.816 -5.955 1.00 31.10 C ATOM 1121 ND1 HIS A 73 9.798 -18.072 -7.024 1.00 2.32 N ATOM 1122 CD2 HIS A 73 9.471 -19.922 -5.911 1.00 40.51 C ATOM 1123 CE1 HIS A 73 8.788 -18.700 -7.599 1.00 1.24 C ATOM 1124 NE2 HIS A 73 8.570 -19.825 -6.943 1.00 32.32 N ATOM 0 H HIS A 73 12.625 -20.900 -5.474 1.00 40.20 H new ATOM 0 HA HIS A 73 13.058 -18.131 -6.413 1.00 44.15 H new ATOM 0 HB2 HIS A 73 11.254 -18.804 -4.086 1.00 55.35 H new ATOM 0 HB3 HIS A 73 11.372 -17.302 -4.981 1.00 55.35 H new ATOM 0 HD1 HIS A 73 10.183 -17.176 -7.324 1.00 2.32 H new ATOM 0 HD2 HIS A 73 9.544 -20.730 -5.198 1.00 40.51 H new ATOM 0 HE1 HIS A 73 8.235 -18.352 -8.459 1.00 1.24 H new ATOM 1132 N PRO A 74 15.084 -18.768 -4.885 1.00 34.43 N ATOM 1133 CA PRO A 74 16.196 -18.705 -3.932 1.00 50.11 C ATOM 1134 C PRO A 74 16.323 -17.332 -3.280 1.00 20.52 C ATOM 1135 O PRO A 74 16.538 -17.226 -2.073 1.00 21.32 O ATOM 1136 CB PRO A 74 17.423 -19.001 -4.799 1.00 15.32 C ATOM 1137 CG PRO A 74 17.023 -18.589 -6.174 1.00 1.34 C ATOM 1138 CD PRO A 74 15.549 -18.868 -6.278 1.00 64.41 C ATOM 0 HA PRO A 74 16.064 -19.402 -3.104 1.00 50.11 H new ATOM 0 HB2 PRO A 74 18.294 -18.443 -4.456 1.00 15.32 H new ATOM 0 HB3 PRO A 74 17.687 -20.058 -4.763 1.00 15.32 H new ATOM 0 HG2 PRO A 74 17.233 -17.533 -6.341 1.00 1.34 H new ATOM 0 HG3 PRO A 74 17.580 -19.148 -6.926 1.00 1.34 H new ATOM 0 HD2 PRO A 74 15.048 -18.145 -6.922 1.00 64.41 H new ATOM 0 HD3 PRO A 74 15.355 -19.856 -6.696 1.00 64.41 H new ATOM 1146 N MET A 75 16.188 -16.285 -4.086 1.00 2.50 N ATOM 1147 CA MET A 75 16.286 -14.918 -3.586 1.00 25.34 C ATOM 1148 C MET A 75 15.016 -14.519 -2.843 1.00 14.34 C ATOM 1149 O MET A 75 14.933 -13.428 -2.276 1.00 35.32 O ATOM 1150 CB MET A 75 16.543 -13.947 -4.739 1.00 64.14 C ATOM 1151 CG MET A 75 15.273 -13.363 -5.336 1.00 63.14 C ATOM 1152 SD MET A 75 14.169 -14.628 -5.993 1.00 32.35 S ATOM 1153 CE MET A 75 12.571 -13.905 -5.629 1.00 2.32 C ATOM 0 H MET A 75 16.010 -16.356 -5.088 1.00 2.50 H new ATOM 0 HA MET A 75 17.123 -14.872 -2.889 1.00 25.34 H new ATOM 0 HB2 MET A 75 17.175 -13.133 -4.384 1.00 64.14 H new ATOM 0 HB3 MET A 75 17.098 -14.464 -5.522 1.00 64.14 H new ATOM 0 HG2 MET A 75 14.748 -12.789 -4.573 1.00 63.14 H new ATOM 0 HG3 MET A 75 15.537 -12.667 -6.133 1.00 63.14 H new ATOM 0 HE1 MET A 75 11.782 -14.564 -5.992 1.00 2.32 H new ATOM 0 HE2 MET A 75 12.467 -13.775 -4.552 1.00 2.32 H new ATOM 0 HE3 MET A 75 12.490 -12.936 -6.121 1.00 2.32 H new ATOM 1163 N LEU A 76 14.028 -15.407 -2.849 1.00 52.13 N ATOM 1164 CA LEU A 76 12.760 -15.147 -2.176 1.00 2.42 C ATOM 1165 C LEU A 76 12.817 -15.590 -0.717 1.00 44.44 C ATOM 1166 O LEU A 76 12.980 -16.770 -0.407 1.00 72.15 O ATOM 1167 CB LEU A 76 11.620 -15.869 -2.896 1.00 11.33 C ATOM 1168 CG LEU A 76 10.277 -15.898 -2.165 1.00 51.24 C ATOM 1169 CD1 LEU A 76 9.643 -14.515 -2.158 1.00 22.41 C ATOM 1170 CD2 LEU A 76 9.342 -16.912 -2.809 1.00 11.34 C ATOM 0 H LEU A 76 14.081 -16.314 -3.313 1.00 52.13 H new ATOM 0 HA LEU A 76 12.576 -14.073 -2.204 1.00 2.42 H new ATOM 0 HB2 LEU A 76 11.473 -15.396 -3.867 1.00 11.33 H new ATOM 0 HB3 LEU A 76 11.930 -16.897 -3.086 1.00 11.33 H new ATOM 0 HG LEU A 76 10.453 -16.200 -1.132 1.00 51.24 H new ATOM 0 HD11 LEU A 76 8.688 -14.555 -1.634 1.00 22.41 H new ATOM 0 HD12 LEU A 76 10.306 -13.813 -1.652 1.00 22.41 H new ATOM 0 HD13 LEU A 76 9.480 -14.184 -3.184 1.00 22.41 H new ATOM 0 HD21 LEU A 76 8.391 -16.920 -2.276 1.00 11.34 H new ATOM 0 HD22 LEU A 76 9.172 -16.640 -3.851 1.00 11.34 H new ATOM 0 HD23 LEU A 76 9.792 -17.904 -2.762 1.00 11.34 H new ATOM 1182 N PRO A 77 12.679 -14.622 0.201 1.00 32.11 N ATOM 1183 CA PRO A 77 12.708 -14.889 1.642 1.00 4.43 C ATOM 1184 C PRO A 77 11.476 -15.651 2.116 1.00 14.54 C ATOM 1185 O PRO A 77 10.348 -15.176 1.977 1.00 3.21 O ATOM 1186 CB PRO A 77 12.743 -13.489 2.261 1.00 12.02 C ATOM 1187 CG PRO A 77 12.114 -12.607 1.238 1.00 2.14 C ATOM 1188 CD PRO A 77 12.482 -13.193 -0.097 1.00 31.45 C ATOM 0 HA PRO A 77 13.554 -15.516 1.923 1.00 4.43 H new ATOM 0 HB2 PRO A 77 12.194 -13.458 3.202 1.00 12.02 H new ATOM 0 HB3 PRO A 77 13.765 -13.177 2.478 1.00 12.02 H new ATOM 0 HG2 PRO A 77 11.032 -12.573 1.364 1.00 2.14 H new ATOM 0 HG3 PRO A 77 12.478 -11.583 1.328 1.00 2.14 H new ATOM 0 HD2 PRO A 77 11.693 -13.041 -0.834 1.00 31.45 H new ATOM 0 HD3 PRO A 77 13.387 -12.738 -0.500 1.00 31.45 H new ATOM 1196 N VAL A 78 11.697 -16.835 2.678 1.00 42.11 N ATOM 1197 CA VAL A 78 10.604 -17.662 3.174 1.00 30.13 C ATOM 1198 C VAL A 78 10.777 -17.969 4.658 1.00 53.33 C ATOM 1199 O VAL A 78 11.885 -17.906 5.190 1.00 44.42 O ATOM 1200 CB VAL A 78 10.505 -18.987 2.396 1.00 75.24 C ATOM 1201 CG1 VAL A 78 9.289 -19.782 2.847 1.00 55.13 C ATOM 1202 CG2 VAL A 78 10.453 -18.722 0.898 1.00 22.35 C ATOM 0 H VAL A 78 12.624 -17.243 2.801 1.00 42.11 H new ATOM 0 HA VAL A 78 9.686 -17.094 3.028 1.00 30.13 H new ATOM 0 HB VAL A 78 11.395 -19.580 2.607 1.00 75.24 H new ATOM 0 HG11 VAL A 78 9.236 -20.715 2.286 1.00 55.13 H new ATOM 0 HG12 VAL A 78 9.373 -20.003 3.911 1.00 55.13 H new ATOM 0 HG13 VAL A 78 8.386 -19.199 2.667 1.00 55.13 H new ATOM 0 HG21 VAL A 78 10.383 -19.669 0.363 1.00 22.35 H new ATOM 0 HG22 VAL A 78 9.581 -18.110 0.667 1.00 22.35 H new ATOM 0 HG23 VAL A 78 11.357 -18.197 0.590 1.00 22.35 H new ATOM 1212 N ILE A 79 9.674 -18.301 5.320 1.00 73.33 N ATOM 1213 CA ILE A 79 9.704 -18.620 6.742 1.00 54.51 C ATOM 1214 C ILE A 79 9.115 -20.001 7.009 1.00 52.44 C ATOM 1215 O ILE A 79 8.061 -20.351 6.476 1.00 43.33 O ATOM 1216 CB ILE A 79 8.930 -17.576 7.569 1.00 42.42 C ATOM 1217 CG1 ILE A 79 9.281 -16.161 7.101 1.00 35.44 C ATOM 1218 CG2 ILE A 79 9.236 -17.741 9.050 1.00 40.21 C ATOM 1219 CD1 ILE A 79 8.503 -15.079 7.817 1.00 44.41 C ATOM 0 H ILE A 79 8.749 -18.356 4.895 1.00 73.33 H new ATOM 0 HA ILE A 79 10.751 -18.610 7.045 1.00 54.51 H new ATOM 0 HB ILE A 79 7.862 -17.734 7.419 1.00 42.42 H new ATOM 0 HG12 ILE A 79 10.347 -15.991 7.251 1.00 35.44 H new ATOM 0 HG13 ILE A 79 9.094 -16.084 6.030 1.00 35.44 H new ATOM 0 HG21 ILE A 79 8.682 -16.996 9.621 1.00 40.21 H new ATOM 0 HG22 ILE A 79 8.941 -18.739 9.373 1.00 40.21 H new ATOM 0 HG23 ILE A 79 10.304 -17.606 9.218 1.00 40.21 H new ATOM 0 HD11 ILE A 79 8.802 -14.103 7.436 1.00 44.41 H new ATOM 0 HD12 ILE A 79 7.436 -15.224 7.646 1.00 44.41 H new ATOM 0 HD13 ILE A 79 8.709 -15.130 8.886 1.00 44.41 H new ATOM 1231 N ILE A 80 9.801 -20.780 7.838 1.00 73.12 N ATOM 1232 CA ILE A 80 9.344 -22.122 8.178 1.00 52.23 C ATOM 1233 C ILE A 80 8.660 -22.141 9.540 1.00 11.15 C ATOM 1234 O ILE A 80 9.321 -22.189 10.577 1.00 20.23 O ATOM 1235 CB ILE A 80 10.510 -23.128 8.187 1.00 72.01 C ATOM 1236 CG1 ILE A 80 10.916 -23.484 6.755 1.00 31.34 C ATOM 1237 CG2 ILE A 80 10.123 -24.380 8.961 1.00 42.44 C ATOM 1238 CD1 ILE A 80 10.036 -24.540 6.123 1.00 44.13 C ATOM 0 H ILE A 80 10.675 -20.505 8.287 1.00 73.12 H new ATOM 0 HA ILE A 80 8.628 -22.416 7.411 1.00 52.23 H new ATOM 0 HB ILE A 80 11.365 -22.668 8.683 1.00 72.01 H new ATOM 0 HG12 ILE A 80 10.886 -22.583 6.143 1.00 31.34 H new ATOM 0 HG13 ILE A 80 11.948 -23.835 6.755 1.00 31.34 H new ATOM 0 HG21 ILE A 80 10.957 -25.082 8.959 1.00 42.44 H new ATOM 0 HG22 ILE A 80 9.878 -24.111 9.989 1.00 42.44 H new ATOM 0 HG23 ILE A 80 9.256 -24.845 8.491 1.00 42.44 H new ATOM 0 HD11 ILE A 80 10.382 -24.743 5.109 1.00 44.13 H new ATOM 0 HD12 ILE A 80 10.085 -25.455 6.713 1.00 44.13 H new ATOM 0 HD13 ILE A 80 9.006 -24.184 6.091 1.00 44.13 H new ATOM 1250 N MET A 81 7.331 -22.104 9.530 1.00 24.42 N ATOM 1251 CA MET A 81 6.557 -22.121 10.766 1.00 4.30 C ATOM 1252 C MET A 81 6.152 -23.544 11.135 1.00 23.21 C ATOM 1253 O MET A 81 5.506 -24.240 10.351 1.00 33.24 O ATOM 1254 CB MET A 81 5.312 -21.244 10.624 1.00 14.02 C ATOM 1255 CG MET A 81 5.464 -19.866 11.247 1.00 1.14 C ATOM 1256 SD MET A 81 4.257 -18.682 10.620 1.00 21.51 S ATOM 1257 CE MET A 81 2.771 -19.682 10.620 1.00 31.25 C ATOM 0 H MET A 81 6.768 -22.062 8.680 1.00 24.42 H new ATOM 0 HA MET A 81 7.184 -21.723 11.564 1.00 4.30 H new ATOM 0 HB2 MET A 81 5.076 -21.131 9.566 1.00 14.02 H new ATOM 0 HB3 MET A 81 4.466 -21.751 11.087 1.00 14.02 H new ATOM 0 HG2 MET A 81 5.359 -19.947 12.329 1.00 1.14 H new ATOM 0 HG3 MET A 81 6.469 -19.492 11.051 1.00 1.14 H new ATOM 0 HE1 MET A 81 1.911 -19.055 10.856 1.00 31.25 H new ATOM 0 HE2 MET A 81 2.634 -20.131 9.636 1.00 31.25 H new ATOM 0 HE3 MET A 81 2.862 -20.469 11.368 1.00 31.25 H new ATOM 1267 N THR A 82 6.537 -23.972 12.334 1.00 73.54 N ATOM 1268 CA THR A 82 6.215 -25.313 12.806 1.00 71.24 C ATOM 1269 C THR A 82 6.470 -25.445 14.303 1.00 73.03 C ATOM 1270 O THR A 82 5.605 -25.899 15.051 1.00 12.55 O ATOM 1271 CB THR A 82 7.035 -26.383 12.061 1.00 63.14 C ATOM 1272 OG1 THR A 82 6.848 -27.662 12.677 1.00 15.21 O ATOM 1273 CG2 THR A 82 8.514 -26.027 12.060 1.00 64.24 C ATOM 0 H THR A 82 7.072 -23.409 12.995 1.00 73.54 H new ATOM 0 HA THR A 82 5.156 -25.473 12.605 1.00 71.24 H new ATOM 0 HB THR A 82 6.686 -26.423 11.029 1.00 63.14 H new ATOM 0 HG1 THR A 82 6.323 -28.238 12.083 1.00 15.21 H new ATOM 0 HG21 THR A 82 9.073 -26.797 11.528 1.00 64.24 H new ATOM 0 HG22 THR A 82 8.657 -25.067 11.564 1.00 64.24 H new ATOM 0 HG23 THR A 82 8.873 -25.962 13.087 1.00 64.24 H new ATOM 1281 N ALA A 83 7.662 -25.045 14.733 1.00 71.02 N ATOM 1282 CA ALA A 83 8.029 -25.116 16.142 1.00 61.14 C ATOM 1283 C ALA A 83 8.147 -26.564 16.606 1.00 50.22 C ATOM 1284 O ALA A 83 8.072 -27.493 15.801 1.00 53.43 O ATOM 1285 CB ALA A 83 7.011 -24.369 16.991 1.00 43.24 C ATOM 0 H ALA A 83 8.390 -24.668 14.126 1.00 71.02 H new ATOM 0 HA ALA A 83 9.003 -24.643 16.263 1.00 61.14 H new ATOM 0 HB1 ALA A 83 7.298 -24.430 18.041 1.00 43.24 H new ATOM 0 HB2 ALA A 83 6.978 -23.324 16.684 1.00 43.24 H new ATOM 0 HB3 ALA A 83 6.027 -24.817 16.857 1.00 43.24 H new ATOM 1291 N HIS A 84 8.333 -26.749 17.909 1.00 70.41 N ATOM 1292 CA HIS A 84 8.462 -28.085 18.480 1.00 35.32 C ATOM 1293 C HIS A 84 9.280 -28.991 17.565 1.00 5.14 C ATOM 1294 O HIS A 84 10.090 -28.516 16.769 1.00 60.22 O ATOM 1295 CB HIS A 84 7.080 -28.696 18.718 1.00 23.14 C ATOM 1296 CG HIS A 84 6.327 -28.985 17.456 1.00 2.34 C ATOM 1297 ND1 HIS A 84 6.315 -30.225 16.854 1.00 34.23 N ATOM 1298 CD2 HIS A 84 5.557 -28.185 16.683 1.00 55.22 C ATOM 1299 CE1 HIS A 84 5.570 -30.175 15.764 1.00 22.51 C ATOM 1300 NE2 HIS A 84 5.098 -28.948 15.638 1.00 60.44 N ATOM 0 H HIS A 84 8.398 -25.991 18.589 1.00 70.41 H new ATOM 0 HA HIS A 84 8.982 -27.997 19.434 1.00 35.32 H new ATOM 0 HB2 HIS A 84 7.193 -29.621 19.284 1.00 23.14 H new ATOM 0 HB3 HIS A 84 6.492 -28.016 19.334 1.00 23.14 H new ATOM 0 HD2 HIS A 84 5.343 -27.141 16.856 1.00 55.22 H new ATOM 0 HE1 HIS A 84 5.379 -30.998 15.091 1.00 22.51 H new ATOM 0 HE2 HIS A 84 4.491 -28.620 14.886 1.00 60.44 H new ATOM 1308 N SER A 85 9.065 -30.297 17.686 1.00 54.10 N ATOM 1309 CA SER A 85 9.786 -31.269 16.873 1.00 30.22 C ATOM 1310 C SER A 85 9.626 -30.961 15.388 1.00 42.44 C ATOM 1311 O SER A 85 8.659 -31.385 14.755 1.00 51.52 O ATOM 1312 CB SER A 85 9.285 -32.684 17.169 1.00 70.25 C ATOM 1313 OG SER A 85 10.143 -33.658 16.600 1.00 22.10 O ATOM 0 H SER A 85 8.397 -30.706 18.339 1.00 54.10 H new ATOM 0 HA SER A 85 10.844 -31.205 17.127 1.00 30.22 H new ATOM 0 HB2 SER A 85 9.224 -32.834 18.247 1.00 70.25 H new ATOM 0 HB3 SER A 85 8.277 -32.807 16.773 1.00 70.25 H new ATOM 0 HG SER A 85 9.802 -34.554 16.804 1.00 22.10 H new ATOM 1319 N ASP A 86 10.582 -30.220 14.838 1.00 52.52 N ATOM 1320 CA ASP A 86 10.549 -29.854 13.426 1.00 2.05 C ATOM 1321 C ASP A 86 11.635 -28.832 13.105 1.00 63.25 C ATOM 1322 O ASP A 86 12.321 -28.939 12.087 1.00 41.11 O ATOM 1323 CB ASP A 86 9.176 -29.292 13.055 1.00 43.41 C ATOM 1324 CG ASP A 86 8.356 -30.264 12.231 1.00 32.40 C ATOM 1325 OD1 ASP A 86 8.932 -30.917 11.335 1.00 11.13 O ATOM 1326 OD2 ASP A 86 7.138 -30.374 12.483 1.00 53.15 O ATOM 0 H ASP A 86 11.389 -29.861 15.348 1.00 52.52 H new ATOM 0 HA ASP A 86 10.736 -30.753 12.838 1.00 2.05 H new ATOM 0 HB2 ASP A 86 8.631 -29.042 13.965 1.00 43.41 H new ATOM 0 HB3 ASP A 86 9.305 -28.365 12.496 1.00 43.41 H new ATOM 1331 N LEU A 87 11.786 -27.842 13.977 1.00 11.10 N ATOM 1332 CA LEU A 87 12.788 -26.799 13.786 1.00 62.44 C ATOM 1333 C LEU A 87 14.194 -27.391 13.771 1.00 32.53 C ATOM 1334 O LEU A 87 15.042 -26.983 12.978 1.00 70.54 O ATOM 1335 CB LEU A 87 12.677 -25.748 14.891 1.00 14.00 C ATOM 1336 CG LEU A 87 12.100 -24.395 14.474 1.00 15.44 C ATOM 1337 CD1 LEU A 87 10.816 -24.583 13.681 1.00 34.14 C ATOM 1338 CD2 LEU A 87 11.851 -23.522 15.696 1.00 52.00 C ATOM 0 H LEU A 87 11.227 -27.739 14.824 1.00 11.10 H new ATOM 0 HA LEU A 87 12.603 -26.324 12.822 1.00 62.44 H new ATOM 0 HB2 LEU A 87 12.057 -26.154 15.690 1.00 14.00 H new ATOM 0 HB3 LEU A 87 13.670 -25.584 15.310 1.00 14.00 H new ATOM 0 HG LEU A 87 12.827 -23.893 13.835 1.00 15.44 H new ATOM 0 HD11 LEU A 87 10.420 -23.609 13.393 1.00 34.14 H new ATOM 0 HD12 LEU A 87 11.024 -25.169 12.786 1.00 34.14 H new ATOM 0 HD13 LEU A 87 10.082 -25.106 14.295 1.00 34.14 H new ATOM 0 HD21 LEU A 87 11.440 -22.563 15.380 1.00 52.00 H new ATOM 0 HD22 LEU A 87 11.144 -24.019 16.360 1.00 52.00 H new ATOM 0 HD23 LEU A 87 12.791 -23.358 16.224 1.00 52.00 H new ATOM 1350 N ASP A 88 14.433 -28.356 14.652 1.00 34.44 N ATOM 1351 CA ASP A 88 15.735 -29.008 14.739 1.00 15.42 C ATOM 1352 C ASP A 88 16.186 -29.505 13.370 1.00 74.35 C ATOM 1353 O ASP A 88 17.381 -29.618 13.102 1.00 4.01 O ATOM 1354 CB ASP A 88 15.680 -30.174 15.727 1.00 63.10 C ATOM 1355 CG ASP A 88 16.508 -29.918 16.971 1.00 21.20 C ATOM 1356 OD1 ASP A 88 17.750 -30.022 16.889 1.00 53.13 O ATOM 1357 OD2 ASP A 88 15.914 -29.615 18.027 1.00 24.13 O ATOM 0 H ASP A 88 13.742 -28.704 15.316 1.00 34.44 H new ATOM 0 HA ASP A 88 16.458 -28.275 15.095 1.00 15.42 H new ATOM 0 HB2 ASP A 88 14.644 -30.354 16.014 1.00 63.10 H new ATOM 0 HB3 ASP A 88 16.037 -31.079 15.236 1.00 63.10 H new ATOM 1362 N ALA A 89 15.220 -29.803 12.506 1.00 11.22 N ATOM 1363 CA ALA A 89 15.518 -30.288 11.164 1.00 14.52 C ATOM 1364 C ALA A 89 15.739 -29.128 10.198 1.00 30.44 C ATOM 1365 O ALA A 89 16.628 -29.177 9.349 1.00 5.14 O ATOM 1366 CB ALA A 89 14.395 -31.185 10.666 1.00 35.00 C ATOM 0 H ALA A 89 14.225 -29.717 12.712 1.00 11.22 H new ATOM 0 HA ALA A 89 16.439 -30.869 11.210 1.00 14.52 H new ATOM 0 HB1 ALA A 89 14.631 -31.540 9.663 1.00 35.00 H new ATOM 0 HB2 ALA A 89 14.286 -32.038 11.336 1.00 35.00 H new ATOM 0 HB3 ALA A 89 13.463 -30.621 10.642 1.00 35.00 H new ATOM 1372 N ALA A 90 14.924 -28.088 10.334 1.00 53.34 N ATOM 1373 CA ALA A 90 15.032 -26.916 9.474 1.00 52.25 C ATOM 1374 C ALA A 90 16.249 -26.075 9.842 1.00 2.31 C ATOM 1375 O ALA A 90 16.737 -25.283 9.035 1.00 32.03 O ATOM 1376 CB ALA A 90 13.764 -26.079 9.560 1.00 50.01 C ATOM 0 H ALA A 90 14.182 -28.033 11.031 1.00 53.34 H new ATOM 0 HA ALA A 90 15.158 -27.260 8.447 1.00 52.25 H new ATOM 0 HB1 ALA A 90 13.859 -25.207 8.913 1.00 50.01 H new ATOM 0 HB2 ALA A 90 12.911 -26.677 9.240 1.00 50.01 H new ATOM 0 HB3 ALA A 90 13.613 -25.752 10.589 1.00 50.01 H new ATOM 1382 N VAL A 91 16.736 -26.251 11.067 1.00 52.04 N ATOM 1383 CA VAL A 91 17.897 -25.508 11.542 1.00 31.30 C ATOM 1384 C VAL A 91 19.051 -25.600 10.550 1.00 3.45 C ATOM 1385 O VAL A 91 19.556 -24.583 10.074 1.00 12.10 O ATOM 1386 CB VAL A 91 18.370 -26.025 12.914 1.00 45.14 C ATOM 1387 CG1 VAL A 91 19.758 -25.491 13.235 1.00 21.33 C ATOM 1388 CG2 VAL A 91 17.377 -25.640 13.999 1.00 2.14 C ATOM 0 H VAL A 91 16.344 -26.902 11.748 1.00 52.04 H new ATOM 0 HA VAL A 91 17.589 -24.467 11.641 1.00 31.30 H new ATOM 0 HB VAL A 91 18.425 -27.113 12.875 1.00 45.14 H new ATOM 0 HG11 VAL A 91 20.076 -25.866 14.208 1.00 21.33 H new ATOM 0 HG12 VAL A 91 20.461 -25.822 12.471 1.00 21.33 H new ATOM 0 HG13 VAL A 91 19.733 -24.402 13.257 1.00 21.33 H new ATOM 0 HG21 VAL A 91 17.727 -26.013 14.961 1.00 2.14 H new ATOM 0 HG22 VAL A 91 17.287 -24.555 14.042 1.00 2.14 H new ATOM 0 HG23 VAL A 91 16.404 -26.076 13.773 1.00 2.14 H new ATOM 1398 N SER A 92 19.465 -26.825 10.243 1.00 11.14 N ATOM 1399 CA SER A 92 20.563 -27.050 9.310 1.00 12.34 C ATOM 1400 C SER A 92 20.051 -27.114 7.875 1.00 70.54 C ATOM 1401 O SER A 92 20.662 -26.561 6.961 1.00 54.22 O ATOM 1402 CB SER A 92 21.300 -28.344 9.660 1.00 42.21 C ATOM 1403 OG SER A 92 21.954 -28.881 8.523 1.00 20.12 O ATOM 0 H SER A 92 19.057 -27.677 10.627 1.00 11.14 H new ATOM 0 HA SER A 92 21.256 -26.213 9.393 1.00 12.34 H new ATOM 0 HB2 SER A 92 22.030 -28.149 10.446 1.00 42.21 H new ATOM 0 HB3 SER A 92 20.593 -29.073 10.055 1.00 42.21 H new ATOM 0 HG SER A 92 22.419 -29.707 8.773 1.00 20.12 H new ATOM 1409 N ALA A 93 18.925 -27.795 7.685 1.00 65.24 N ATOM 1410 CA ALA A 93 18.329 -27.932 6.361 1.00 3.54 C ATOM 1411 C ALA A 93 17.944 -26.571 5.790 1.00 21.20 C ATOM 1412 O ALA A 93 18.471 -26.147 4.761 1.00 22.51 O ATOM 1413 CB ALA A 93 17.113 -28.844 6.422 1.00 65.31 C ATOM 0 H ALA A 93 18.407 -28.260 8.431 1.00 65.24 H new ATOM 0 HA ALA A 93 19.071 -28.378 5.699 1.00 3.54 H new ATOM 0 HB1 ALA A 93 16.678 -28.937 5.427 1.00 65.31 H new ATOM 0 HB2 ALA A 93 17.414 -29.828 6.780 1.00 65.31 H new ATOM 0 HB3 ALA A 93 16.374 -28.421 7.103 1.00 65.31 H new ATOM 1419 N TYR A 94 17.022 -25.892 6.463 1.00 41.12 N ATOM 1420 CA TYR A 94 16.564 -24.580 6.020 1.00 70.51 C ATOM 1421 C TYR A 94 17.734 -23.611 5.886 1.00 25.13 C ATOM 1422 O TYR A 94 17.636 -22.594 5.201 1.00 12.41 O ATOM 1423 CB TYR A 94 15.532 -24.020 7.000 1.00 41.42 C ATOM 1424 CG TYR A 94 14.555 -23.056 6.365 1.00 61.12 C ATOM 1425 CD1 TYR A 94 13.978 -23.333 5.132 1.00 52.23 C ATOM 1426 CD2 TYR A 94 14.209 -21.869 6.999 1.00 74.13 C ATOM 1427 CE1 TYR A 94 13.085 -22.455 4.548 1.00 45.13 C ATOM 1428 CE2 TYR A 94 13.316 -20.986 6.423 1.00 51.12 C ATOM 1429 CZ TYR A 94 12.757 -21.283 5.197 1.00 25.01 C ATOM 1430 OH TYR A 94 11.868 -20.407 4.619 1.00 12.42 O ATOM 0 H TYR A 94 16.577 -26.228 7.317 1.00 41.12 H new ATOM 0 HA TYR A 94 16.099 -24.697 5.041 1.00 70.51 H new ATOM 0 HB2 TYR A 94 14.977 -24.847 7.443 1.00 41.42 H new ATOM 0 HB3 TYR A 94 16.053 -23.514 7.813 1.00 41.42 H new ATOM 0 HD1 TYR A 94 14.232 -24.250 4.621 1.00 52.23 H new ATOM 0 HD2 TYR A 94 14.645 -21.633 7.958 1.00 74.13 H new ATOM 0 HE1 TYR A 94 12.646 -22.685 3.588 1.00 45.13 H new ATOM 0 HE2 TYR A 94 13.057 -20.068 6.930 1.00 51.12 H new ATOM 0 HH TYR A 94 12.157 -19.487 4.792 1.00 12.42 H new ATOM 1440 N GLN A 95 18.842 -23.936 6.546 1.00 14.00 N ATOM 1441 CA GLN A 95 20.032 -23.094 6.502 1.00 75.55 C ATOM 1442 C GLN A 95 20.685 -23.148 5.124 1.00 13.34 C ATOM 1443 O GLN A 95 21.732 -22.541 4.901 1.00 53.05 O ATOM 1444 CB GLN A 95 21.033 -23.534 7.571 1.00 12.33 C ATOM 1445 CG GLN A 95 21.096 -22.597 8.767 1.00 41.13 C ATOM 1446 CD GLN A 95 21.896 -21.341 8.482 1.00 21.03 C ATOM 1447 OE1 GLN A 95 21.346 -20.241 8.423 1.00 3.23 O ATOM 1448 NE2 GLN A 95 23.203 -21.499 8.304 1.00 14.34 N ATOM 0 H GLN A 95 18.940 -24.776 7.117 1.00 14.00 H new ATOM 0 HA GLN A 95 19.728 -22.066 6.700 1.00 75.55 H new ATOM 0 HB2 GLN A 95 20.768 -24.533 7.916 1.00 12.33 H new ATOM 0 HB3 GLN A 95 22.024 -23.604 7.122 1.00 12.33 H new ATOM 0 HG2 GLN A 95 20.084 -22.320 9.060 1.00 41.13 H new ATOM 0 HG3 GLN A 95 21.540 -23.122 9.612 1.00 41.13 H new ATOM 0 HE21 GLN A 95 23.617 -22.430 8.362 1.00 14.34 H new ATOM 0 HE22 GLN A 95 23.793 -20.690 8.110 1.00 14.34 H new ATOM 1457 N GLN A 96 20.059 -23.877 4.206 1.00 25.52 N ATOM 1458 CA GLN A 96 20.581 -24.010 2.851 1.00 25.22 C ATOM 1459 C GLN A 96 20.381 -22.721 2.062 1.00 4.50 C ATOM 1460 O GLN A 96 20.339 -22.733 0.833 1.00 61.54 O ATOM 1461 CB GLN A 96 19.899 -25.174 2.131 1.00 73.03 C ATOM 1462 CG GLN A 96 20.442 -26.537 2.526 1.00 23.43 C ATOM 1463 CD GLN A 96 21.675 -26.927 1.734 1.00 54.21 C ATOM 1464 OE1 GLN A 96 21.947 -26.366 0.672 1.00 73.01 O ATOM 1465 NE2 GLN A 96 22.428 -27.892 2.247 1.00 22.11 N ATOM 0 H GLN A 96 19.190 -24.384 4.376 1.00 25.52 H new ATOM 0 HA GLN A 96 21.650 -24.211 2.919 1.00 25.22 H new ATOM 0 HB2 GLN A 96 18.830 -25.144 2.341 1.00 73.03 H new ATOM 0 HB3 GLN A 96 20.016 -25.043 1.055 1.00 73.03 H new ATOM 0 HG2 GLN A 96 20.684 -26.533 3.589 1.00 23.43 H new ATOM 0 HG3 GLN A 96 19.667 -27.289 2.378 1.00 23.43 H new ATOM 0 HE21 GLN A 96 22.165 -28.329 3.130 1.00 22.11 H new ATOM 0 HE22 GLN A 96 23.270 -28.196 1.758 1.00 22.11 H new ATOM 1474 N GLY A 97 20.258 -21.607 2.778 1.00 24.03 N ATOM 1475 CA GLY A 97 20.064 -20.324 2.128 1.00 73.41 C ATOM 1476 C GLY A 97 18.658 -19.788 2.312 1.00 32.42 C ATOM 1477 O GLY A 97 18.120 -19.121 1.429 1.00 21.11 O ATOM 0 H GLY A 97 20.289 -21.570 3.797 1.00 24.03 H new ATOM 0 HA2 GLY A 97 20.779 -19.605 2.529 1.00 73.41 H new ATOM 0 HA3 GLY A 97 20.275 -20.424 1.063 1.00 73.41 H new ATOM 1481 N ALA A 98 18.060 -20.082 3.462 1.00 23.14 N ATOM 1482 CA ALA A 98 16.709 -19.625 3.760 1.00 54.33 C ATOM 1483 C ALA A 98 16.720 -18.533 4.824 1.00 1.12 C ATOM 1484 O ALA A 98 17.733 -18.309 5.488 1.00 71.43 O ATOM 1485 CB ALA A 98 15.843 -20.793 4.208 1.00 11.22 C ATOM 0 H ALA A 98 18.491 -20.635 4.203 1.00 23.14 H new ATOM 0 HA ALA A 98 16.286 -19.203 2.848 1.00 54.33 H new ATOM 0 HB1 ALA A 98 14.837 -20.437 4.427 1.00 11.22 H new ATOM 0 HB2 ALA A 98 15.799 -21.539 3.414 1.00 11.22 H new ATOM 0 HB3 ALA A 98 16.272 -21.242 5.104 1.00 11.22 H new ATOM 1491 N PHE A 99 15.588 -17.855 4.982 1.00 42.21 N ATOM 1492 CA PHE A 99 15.469 -16.784 5.965 1.00 31.51 C ATOM 1493 C PHE A 99 15.112 -17.345 7.339 1.00 62.13 C ATOM 1494 O PHE A 99 14.433 -18.366 7.447 1.00 13.01 O ATOM 1495 CB PHE A 99 14.409 -15.773 5.524 1.00 72.45 C ATOM 1496 CG PHE A 99 14.042 -14.784 6.592 1.00 1.14 C ATOM 1497 CD1 PHE A 99 14.752 -13.602 6.734 1.00 32.41 C ATOM 1498 CD2 PHE A 99 12.988 -15.036 7.456 1.00 50.53 C ATOM 1499 CE1 PHE A 99 14.417 -12.689 7.716 1.00 32.54 C ATOM 1500 CE2 PHE A 99 12.648 -14.126 8.439 1.00 21.25 C ATOM 1501 CZ PHE A 99 13.364 -12.952 8.571 1.00 61.42 C ATOM 0 H PHE A 99 14.740 -18.028 4.442 1.00 42.21 H new ATOM 0 HA PHE A 99 16.433 -16.281 6.036 1.00 31.51 H new ATOM 0 HB2 PHE A 99 14.775 -15.233 4.651 1.00 72.45 H new ATOM 0 HB3 PHE A 99 13.513 -16.310 5.214 1.00 72.45 H new ATOM 0 HD1 PHE A 99 15.577 -13.392 6.069 1.00 32.41 H new ATOM 0 HD2 PHE A 99 12.426 -15.953 7.360 1.00 50.53 H new ATOM 0 HE1 PHE A 99 14.978 -11.771 7.815 1.00 32.54 H new ATOM 0 HE2 PHE A 99 11.823 -14.333 9.104 1.00 21.25 H new ATOM 0 HZ PHE A 99 13.101 -12.241 9.341 1.00 61.42 H new ATOM 1511 N ASP A 100 15.576 -16.670 8.385 1.00 61.51 N ATOM 1512 CA ASP A 100 15.306 -17.100 9.752 1.00 4.22 C ATOM 1513 C ASP A 100 13.827 -17.422 9.939 1.00 61.43 C ATOM 1514 O ASP A 100 12.987 -16.524 9.989 1.00 10.25 O ATOM 1515 CB ASP A 100 15.734 -16.016 10.743 1.00 32.23 C ATOM 1516 CG ASP A 100 15.630 -16.476 12.184 1.00 21.02 C ATOM 1517 OD1 ASP A 100 15.207 -17.629 12.410 1.00 51.14 O ATOM 1518 OD2 ASP A 100 15.971 -15.683 13.087 1.00 44.34 O ATOM 0 H ASP A 100 16.140 -15.824 8.313 1.00 61.51 H new ATOM 0 HA ASP A 100 15.883 -18.005 9.943 1.00 4.22 H new ATOM 0 HB2 ASP A 100 16.762 -15.720 10.532 1.00 32.23 H new ATOM 0 HB3 ASP A 100 15.112 -15.132 10.601 1.00 32.23 H new ATOM 1523 N TYR A 101 13.516 -18.710 10.039 1.00 11.11 N ATOM 1524 CA TYR A 101 12.138 -19.151 10.216 1.00 34.43 C ATOM 1525 C TYR A 101 11.537 -18.565 11.490 1.00 2.23 C ATOM 1526 O TYR A 101 12.171 -17.763 12.178 1.00 61.12 O ATOM 1527 CB TYR A 101 12.072 -20.679 10.264 1.00 15.24 C ATOM 1528 CG TYR A 101 13.141 -21.304 11.131 1.00 31.23 C ATOM 1529 CD1 TYR A 101 13.265 -20.961 12.472 1.00 72.40 C ATOM 1530 CD2 TYR A 101 14.027 -22.239 10.610 1.00 51.14 C ATOM 1531 CE1 TYR A 101 14.241 -21.530 13.267 1.00 12.23 C ATOM 1532 CE2 TYR A 101 15.005 -22.814 11.398 1.00 41.51 C ATOM 1533 CZ TYR A 101 15.108 -22.455 12.726 1.00 63.41 C ATOM 1534 OH TYR A 101 16.081 -23.025 13.515 1.00 1.13 O ATOM 0 H TYR A 101 14.199 -19.466 10.000 1.00 11.11 H new ATOM 0 HA TYR A 101 11.557 -18.795 9.365 1.00 34.43 H new ATOM 0 HB2 TYR A 101 11.093 -20.981 10.635 1.00 15.24 H new ATOM 0 HB3 TYR A 101 12.163 -21.070 9.251 1.00 15.24 H new ATOM 0 HD1 TYR A 101 12.587 -20.237 12.900 1.00 72.40 H new ATOM 0 HD2 TYR A 101 13.950 -22.521 9.570 1.00 51.14 H new ATOM 0 HE1 TYR A 101 14.324 -21.252 14.307 1.00 12.23 H new ATOM 0 HE2 TYR A 101 15.685 -23.540 10.977 1.00 41.51 H new ATOM 0 HH TYR A 101 15.676 -23.362 14.341 1.00 1.13 H new ATOM 1544 N LEU A 102 10.311 -18.971 11.799 1.00 13.34 N ATOM 1545 CA LEU A 102 9.622 -18.487 12.991 1.00 24.13 C ATOM 1546 C LEU A 102 8.742 -19.578 13.592 1.00 74.02 C ATOM 1547 O LEU A 102 7.783 -20.045 12.976 1.00 12.24 O ATOM 1548 CB LEU A 102 8.774 -17.260 12.652 1.00 23.10 C ATOM 1549 CG LEU A 102 7.522 -17.053 13.504 1.00 33.43 C ATOM 1550 CD1 LEU A 102 7.893 -16.514 14.877 1.00 40.12 C ATOM 1551 CD2 LEU A 102 6.550 -16.114 12.805 1.00 32.20 C ATOM 0 H LEU A 102 9.773 -19.634 11.241 1.00 13.34 H new ATOM 0 HA LEU A 102 10.375 -18.207 13.727 1.00 24.13 H new ATOM 0 HB2 LEU A 102 9.401 -16.373 12.743 1.00 23.10 H new ATOM 0 HB3 LEU A 102 8.471 -17.330 11.607 1.00 23.10 H new ATOM 0 HG LEU A 102 7.032 -18.018 13.636 1.00 33.43 H new ATOM 0 HD11 LEU A 102 6.989 -16.373 15.469 1.00 40.12 H new ATOM 0 HD12 LEU A 102 8.550 -17.223 15.381 1.00 40.12 H new ATOM 0 HD13 LEU A 102 8.407 -15.559 14.766 1.00 40.12 H new ATOM 0 HD21 LEU A 102 5.665 -15.978 13.426 1.00 32.20 H new ATOM 0 HD22 LEU A 102 7.030 -15.149 12.642 1.00 32.20 H new ATOM 0 HD23 LEU A 102 6.258 -16.541 11.846 1.00 32.20 H new ATOM 1563 N PRO A 103 9.071 -19.994 14.824 1.00 42.13 N ATOM 1564 CA PRO A 103 8.321 -21.033 15.536 1.00 51.42 C ATOM 1565 C PRO A 103 6.935 -20.559 15.960 1.00 2.43 C ATOM 1566 O PRO A 103 6.747 -19.395 16.315 1.00 1.22 O ATOM 1567 CB PRO A 103 9.188 -21.317 16.764 1.00 23.44 C ATOM 1568 CG PRO A 103 9.960 -20.062 16.983 1.00 41.04 C ATOM 1569 CD PRO A 103 10.201 -19.482 15.617 1.00 45.45 C ATOM 0 HA PRO A 103 8.143 -21.908 14.911 1.00 51.42 H new ATOM 0 HB2 PRO A 103 8.576 -21.562 17.632 1.00 23.44 H new ATOM 0 HB3 PRO A 103 9.851 -22.165 16.592 1.00 23.44 H new ATOM 0 HG2 PRO A 103 9.403 -19.366 17.610 1.00 41.04 H new ATOM 0 HG3 PRO A 103 10.902 -20.267 17.492 1.00 41.04 H new ATOM 0 HD2 PRO A 103 10.215 -18.392 15.640 1.00 45.45 H new ATOM 0 HD3 PRO A 103 11.158 -19.804 15.207 1.00 45.45 H new ATOM 1577 N LYS A 104 5.967 -21.468 15.922 1.00 13.42 N ATOM 1578 CA LYS A 104 4.597 -21.144 16.305 1.00 44.24 C ATOM 1579 C LYS A 104 4.251 -21.758 17.657 1.00 13.32 C ATOM 1580 O LYS A 104 4.731 -22.831 18.020 1.00 24.52 O ATOM 1581 CB LYS A 104 3.617 -21.642 15.240 1.00 24.31 C ATOM 1582 CG LYS A 104 3.538 -23.156 15.148 1.00 33.30 C ATOM 1583 CD LYS A 104 2.457 -23.714 16.058 1.00 34.14 C ATOM 1584 CE LYS A 104 1.371 -24.425 15.264 1.00 24.14 C ATOM 1585 NZ LYS A 104 1.739 -25.837 14.964 1.00 53.54 N ATOM 0 H LYS A 104 6.105 -22.435 15.630 1.00 13.42 H new ATOM 0 HA LYS A 104 4.515 -20.060 16.387 1.00 44.24 H new ATOM 0 HB2 LYS A 104 2.625 -21.247 15.458 1.00 24.31 H new ATOM 0 HB3 LYS A 104 3.913 -21.242 14.270 1.00 24.31 H new ATOM 0 HG2 LYS A 104 3.335 -23.449 14.118 1.00 33.30 H new ATOM 0 HG3 LYS A 104 4.501 -23.589 15.418 1.00 33.30 H new ATOM 0 HD2 LYS A 104 2.902 -24.409 16.770 1.00 34.14 H new ATOM 0 HD3 LYS A 104 2.014 -22.904 16.638 1.00 34.14 H new ATOM 0 HE2 LYS A 104 0.437 -24.404 15.826 1.00 24.14 H new ATOM 0 HE3 LYS A 104 1.193 -23.890 14.331 1.00 24.14 H new ATOM 0 HZ1 LYS A 104 0.974 -26.287 14.422 1.00 53.54 H new ATOM 0 HZ2 LYS A 104 2.616 -25.856 14.406 1.00 53.54 H new ATOM 0 HZ3 LYS A 104 1.884 -26.355 15.854 1.00 53.54 H new ATOM 1599 N PRO A 105 3.395 -21.063 18.422 1.00 43.33 N ATOM 1600 CA PRO A 105 2.817 -19.783 18.000 1.00 21.24 C ATOM 1601 C PRO A 105 3.851 -18.663 17.967 1.00 11.24 C ATOM 1602 O PRO A 105 5.027 -18.881 18.260 1.00 12.43 O ATOM 1603 CB PRO A 105 1.759 -19.503 19.070 1.00 13.11 C ATOM 1604 CG PRO A 105 2.231 -20.244 20.273 1.00 14.23 C ATOM 1605 CD PRO A 105 2.927 -21.472 19.756 1.00 20.24 C ATOM 0 HA PRO A 105 2.417 -19.830 16.987 1.00 21.24 H new ATOM 0 HB2 PRO A 105 1.673 -18.435 19.271 1.00 13.11 H new ATOM 0 HB3 PRO A 105 0.775 -19.848 18.753 1.00 13.11 H new ATOM 0 HG2 PRO A 105 2.910 -19.632 20.867 1.00 14.23 H new ATOM 0 HG3 PRO A 105 1.395 -20.512 20.919 1.00 14.23 H new ATOM 0 HD2 PRO A 105 3.756 -21.765 20.400 1.00 20.24 H new ATOM 0 HD3 PRO A 105 2.250 -22.324 19.700 1.00 20.24 H new ATOM 1613 N PHE A 106 3.405 -17.463 17.609 1.00 23.15 N ATOM 1614 CA PHE A 106 4.293 -16.308 17.538 1.00 75.01 C ATOM 1615 C PHE A 106 3.518 -15.012 17.761 1.00 31.51 C ATOM 1616 O PHE A 106 2.287 -15.011 17.798 1.00 43.11 O ATOM 1617 CB PHE A 106 5.000 -16.265 16.182 1.00 62.20 C ATOM 1618 CG PHE A 106 4.059 -16.142 15.018 1.00 31.31 C ATOM 1619 CD1 PHE A 106 3.568 -14.905 14.635 1.00 54.21 C ATOM 1620 CD2 PHE A 106 3.665 -17.265 14.307 1.00 12.44 C ATOM 1621 CE1 PHE A 106 2.701 -14.788 13.564 1.00 24.11 C ATOM 1622 CE2 PHE A 106 2.799 -17.154 13.236 1.00 63.14 C ATOM 1623 CZ PHE A 106 2.316 -15.915 12.864 1.00 1.42 C ATOM 0 H PHE A 106 2.435 -17.265 17.364 1.00 23.15 H new ATOM 0 HA PHE A 106 5.039 -16.405 18.327 1.00 75.01 H new ATOM 0 HB2 PHE A 106 5.693 -15.424 16.169 1.00 62.20 H new ATOM 0 HB3 PHE A 106 5.596 -17.170 16.063 1.00 62.20 H new ATOM 0 HD1 PHE A 106 3.866 -14.021 15.179 1.00 54.21 H new ATOM 0 HD2 PHE A 106 4.039 -18.237 14.593 1.00 12.44 H new ATOM 0 HE1 PHE A 106 2.326 -13.817 13.275 1.00 24.11 H new ATOM 0 HE2 PHE A 106 2.500 -18.036 12.690 1.00 63.14 H new ATOM 0 HZ PHE A 106 1.639 -15.827 12.027 1.00 1.42 H new ATOM 1633 N ASP A 107 4.247 -13.912 17.910 1.00 24.41 N ATOM 1634 CA ASP A 107 3.630 -12.609 18.129 1.00 21.53 C ATOM 1635 C ASP A 107 3.451 -11.864 16.810 1.00 33.34 C ATOM 1636 O ASP A 107 4.426 -11.462 16.176 1.00 64.32 O ATOM 1637 CB ASP A 107 4.479 -11.775 19.090 1.00 55.42 C ATOM 1638 CG ASP A 107 4.633 -12.432 20.447 1.00 63.41 C ATOM 1639 OD1 ASP A 107 3.637 -12.991 20.952 1.00 65.00 O ATOM 1640 OD2 ASP A 107 5.750 -12.388 21.004 1.00 3.12 O ATOM 0 H ASP A 107 5.267 -13.896 17.883 1.00 24.41 H new ATOM 0 HA ASP A 107 2.646 -12.769 18.571 1.00 21.53 H new ATOM 0 HB2 ASP A 107 5.465 -11.615 18.653 1.00 55.42 H new ATOM 0 HB3 ASP A 107 4.022 -10.793 19.215 1.00 55.42 H new ATOM 1645 N ILE A 108 2.199 -11.685 16.404 1.00 55.23 N ATOM 1646 CA ILE A 108 1.892 -10.988 15.161 1.00 60.34 C ATOM 1647 C ILE A 108 2.708 -9.707 15.033 1.00 44.32 C ATOM 1648 O ILE A 108 3.129 -9.333 13.938 1.00 61.03 O ATOM 1649 CB ILE A 108 0.395 -10.641 15.064 1.00 34.41 C ATOM 1650 CG1 ILE A 108 -0.414 -11.881 14.675 1.00 12.40 C ATOM 1651 CG2 ILE A 108 0.174 -9.521 14.059 1.00 61.24 C ATOM 1652 CD1 ILE A 108 -1.836 -11.860 15.190 1.00 32.45 C ATOM 0 H ILE A 108 1.381 -12.013 16.917 1.00 55.23 H new ATOM 0 HA ILE A 108 2.153 -11.665 14.348 1.00 60.34 H new ATOM 0 HB ILE A 108 0.053 -10.298 16.041 1.00 34.41 H new ATOM 0 HG12 ILE A 108 -0.431 -11.968 13.589 1.00 12.40 H new ATOM 0 HG13 ILE A 108 0.090 -12.769 15.058 1.00 12.40 H new ATOM 0 HG21 ILE A 108 -0.889 -9.288 14.002 1.00 61.24 H new ATOM 0 HG22 ILE A 108 0.724 -8.635 14.375 1.00 61.24 H new ATOM 0 HG23 ILE A 108 0.529 -9.837 13.078 1.00 61.24 H new ATOM 0 HD11 ILE A 108 -2.350 -12.769 14.877 1.00 32.45 H new ATOM 0 HD12 ILE A 108 -1.828 -11.804 16.279 1.00 32.45 H new ATOM 0 HD13 ILE A 108 -2.356 -10.992 14.786 1.00 32.45 H new ATOM 1664 N ASP A 109 2.930 -9.038 16.159 1.00 23.53 N ATOM 1665 CA ASP A 109 3.699 -7.800 16.175 1.00 44.44 C ATOM 1666 C ASP A 109 5.111 -8.029 15.643 1.00 74.52 C ATOM 1667 O ASP A 109 5.618 -7.243 14.844 1.00 62.21 O ATOM 1668 CB ASP A 109 3.762 -7.230 17.593 1.00 71.52 C ATOM 1669 CG ASP A 109 2.412 -7.245 18.282 1.00 12.33 C ATOM 1670 OD1 ASP A 109 1.595 -6.340 18.008 1.00 63.24 O ATOM 1671 OD2 ASP A 109 2.171 -8.161 19.096 1.00 42.30 O ATOM 0 H ASP A 109 2.588 -9.333 17.073 1.00 23.53 H new ATOM 0 HA ASP A 109 3.197 -7.083 15.526 1.00 44.44 H new ATOM 0 HB2 ASP A 109 4.474 -7.807 18.182 1.00 71.52 H new ATOM 0 HB3 ASP A 109 4.136 -6.207 17.554 1.00 71.52 H new ATOM 1676 N GLU A 110 5.738 -9.111 16.093 1.00 63.52 N ATOM 1677 CA GLU A 110 7.092 -9.443 15.663 1.00 13.21 C ATOM 1678 C GLU A 110 7.078 -10.121 14.296 1.00 51.51 C ATOM 1679 O GLU A 110 8.054 -10.056 13.550 1.00 64.42 O ATOM 1680 CB GLU A 110 7.768 -10.354 16.689 1.00 32.25 C ATOM 1681 CG GLU A 110 8.389 -9.603 17.855 1.00 13.21 C ATOM 1682 CD GLU A 110 9.081 -10.524 18.841 1.00 41.03 C ATOM 1683 OE1 GLU A 110 9.579 -11.586 18.412 1.00 13.11 O ATOM 1684 OE2 GLU A 110 9.125 -10.182 20.041 1.00 2.01 O ATOM 0 H GLU A 110 5.331 -9.772 16.754 1.00 63.52 H new ATOM 0 HA GLU A 110 7.658 -8.515 15.583 1.00 13.21 H new ATOM 0 HB2 GLU A 110 7.034 -11.062 17.074 1.00 32.25 H new ATOM 0 HB3 GLU A 110 8.542 -10.937 16.190 1.00 32.25 H new ATOM 0 HG2 GLU A 110 9.109 -8.879 17.474 1.00 13.21 H new ATOM 0 HG3 GLU A 110 7.613 -9.039 18.373 1.00 13.21 H new ATOM 1691 N ALA A 111 5.964 -10.770 13.975 1.00 33.13 N ATOM 1692 CA ALA A 111 5.821 -11.459 12.698 1.00 3.55 C ATOM 1693 C ALA A 111 5.714 -10.464 11.548 1.00 53.05 C ATOM 1694 O ALA A 111 6.485 -10.521 10.590 1.00 61.41 O ATOM 1695 CB ALA A 111 4.605 -12.372 12.724 1.00 20.33 C ATOM 0 H ALA A 111 5.147 -10.833 14.582 1.00 33.13 H new ATOM 0 HA ALA A 111 6.712 -12.065 12.538 1.00 3.55 H new ATOM 0 HB1 ALA A 111 4.511 -12.880 11.764 1.00 20.33 H new ATOM 0 HB2 ALA A 111 4.722 -13.112 13.516 1.00 20.33 H new ATOM 0 HB3 ALA A 111 3.709 -11.780 12.911 1.00 20.33 H new ATOM 1701 N VAL A 112 4.751 -9.552 11.647 1.00 23.42 N ATOM 1702 CA VAL A 112 4.543 -8.545 10.614 1.00 1.54 C ATOM 1703 C VAL A 112 5.846 -7.829 10.274 1.00 15.13 C ATOM 1704 O VAL A 112 6.097 -7.492 9.118 1.00 53.13 O ATOM 1705 CB VAL A 112 3.496 -7.502 11.050 1.00 21.33 C ATOM 1706 CG1 VAL A 112 3.557 -6.276 10.152 1.00 31.30 C ATOM 1707 CG2 VAL A 112 2.102 -8.112 11.041 1.00 4.30 C ATOM 0 H VAL A 112 4.103 -9.491 12.432 1.00 23.42 H new ATOM 0 HA VAL A 112 4.178 -9.069 9.730 1.00 1.54 H new ATOM 0 HB VAL A 112 3.724 -7.187 12.068 1.00 21.33 H new ATOM 0 HG11 VAL A 112 2.810 -5.551 10.475 1.00 31.30 H new ATOM 0 HG12 VAL A 112 4.549 -5.828 10.214 1.00 31.30 H new ATOM 0 HG13 VAL A 112 3.356 -6.569 9.122 1.00 31.30 H new ATOM 0 HG21 VAL A 112 1.375 -7.362 11.351 1.00 4.30 H new ATOM 0 HG22 VAL A 112 1.862 -8.456 10.035 1.00 4.30 H new ATOM 0 HG23 VAL A 112 2.070 -8.956 11.730 1.00 4.30 H new ATOM 1717 N ALA A 113 6.671 -7.600 11.290 1.00 24.31 N ATOM 1718 CA ALA A 113 7.950 -6.927 11.099 1.00 52.14 C ATOM 1719 C ALA A 113 9.017 -7.902 10.614 1.00 21.52 C ATOM 1720 O ALA A 113 9.919 -7.529 9.862 1.00 34.43 O ATOM 1721 CB ALA A 113 8.392 -6.257 12.391 1.00 42.30 C ATOM 0 H ALA A 113 6.477 -7.871 12.254 1.00 24.31 H new ATOM 0 HA ALA A 113 7.819 -6.163 10.333 1.00 52.14 H new ATOM 0 HB1 ALA A 113 9.348 -5.758 12.234 1.00 42.30 H new ATOM 0 HB2 ALA A 113 7.646 -5.523 12.694 1.00 42.30 H new ATOM 0 HB3 ALA A 113 8.499 -7.009 13.173 1.00 42.30 H new ATOM 1727 N LEU A 114 8.910 -9.153 11.050 1.00 41.14 N ATOM 1728 CA LEU A 114 9.867 -10.183 10.661 1.00 61.04 C ATOM 1729 C LEU A 114 9.968 -10.287 9.142 1.00 35.52 C ATOM 1730 O LEU A 114 11.042 -10.538 8.596 1.00 21.23 O ATOM 1731 CB LEU A 114 9.460 -11.534 11.250 1.00 34.34 C ATOM 1732 CG LEU A 114 10.218 -12.753 10.723 1.00 1.12 C ATOM 1733 CD1 LEU A 114 11.602 -12.832 11.348 1.00 2.34 C ATOM 1734 CD2 LEU A 114 9.434 -14.028 10.996 1.00 21.22 C ATOM 0 H LEU A 114 8.170 -9.478 11.673 1.00 41.14 H new ATOM 0 HA LEU A 114 10.844 -9.902 11.053 1.00 61.04 H new ATOM 0 HB2 LEU A 114 9.590 -11.490 12.331 1.00 34.34 H new ATOM 0 HB3 LEU A 114 8.397 -11.684 11.063 1.00 34.34 H new ATOM 0 HG LEU A 114 10.334 -12.646 9.645 1.00 1.12 H new ATOM 0 HD11 LEU A 114 12.127 -13.706 10.961 1.00 2.34 H new ATOM 0 HD12 LEU A 114 12.165 -11.932 11.101 1.00 2.34 H new ATOM 0 HD13 LEU A 114 11.508 -12.915 12.431 1.00 2.34 H new ATOM 0 HD21 LEU A 114 9.989 -14.885 10.614 1.00 21.22 H new ATOM 0 HD22 LEU A 114 9.286 -14.141 12.070 1.00 21.22 H new ATOM 0 HD23 LEU A 114 8.465 -13.973 10.500 1.00 21.22 H new ATOM 1746 N VAL A 115 8.841 -10.092 8.465 1.00 53.52 N ATOM 1747 CA VAL A 115 8.802 -10.160 7.009 1.00 60.31 C ATOM 1748 C VAL A 115 9.225 -8.835 6.385 1.00 64.42 C ATOM 1749 O VAL A 115 9.804 -8.807 5.299 1.00 11.22 O ATOM 1750 CB VAL A 115 7.395 -10.528 6.502 1.00 51.24 C ATOM 1751 CG1 VAL A 115 6.358 -9.566 7.060 1.00 15.13 C ATOM 1752 CG2 VAL A 115 7.363 -10.535 4.981 1.00 74.43 C ATOM 0 H VAL A 115 7.943 -9.886 8.902 1.00 53.52 H new ATOM 0 HA VAL A 115 9.503 -10.939 6.710 1.00 60.31 H new ATOM 0 HB VAL A 115 7.152 -11.531 6.853 1.00 51.24 H new ATOM 0 HG11 VAL A 115 5.370 -9.842 6.691 1.00 15.13 H new ATOM 0 HG12 VAL A 115 6.365 -9.615 8.149 1.00 15.13 H new ATOM 0 HG13 VAL A 115 6.594 -8.551 6.741 1.00 15.13 H new ATOM 0 HG21 VAL A 115 6.362 -10.797 4.639 1.00 74.43 H new ATOM 0 HG22 VAL A 115 7.627 -9.546 4.607 1.00 74.43 H new ATOM 0 HG23 VAL A 115 8.078 -11.267 4.605 1.00 74.43 H new ATOM 1762 N GLU A 116 8.933 -7.740 7.079 1.00 21.12 N ATOM 1763 CA GLU A 116 9.284 -6.411 6.592 1.00 73.21 C ATOM 1764 C GLU A 116 10.757 -6.347 6.200 1.00 3.45 C ATOM 1765 O GLU A 116 11.114 -5.761 5.178 1.00 73.01 O ATOM 1766 CB GLU A 116 8.981 -5.356 7.658 1.00 23.43 C ATOM 1767 CG GLU A 116 8.985 -3.934 7.125 1.00 11.42 C ATOM 1768 CD GLU A 116 8.965 -2.896 8.231 1.00 21.31 C ATOM 1769 OE1 GLU A 116 7.880 -2.660 8.803 1.00 60.31 O ATOM 1770 OE2 GLU A 116 10.034 -2.321 8.525 1.00 55.44 O ATOM 0 H GLU A 116 8.455 -7.747 7.980 1.00 21.12 H new ATOM 0 HA GLU A 116 8.682 -6.205 5.707 1.00 73.21 H new ATOM 0 HB2 GLU A 116 8.007 -5.567 8.099 1.00 23.43 H new ATOM 0 HB3 GLU A 116 9.717 -5.437 8.457 1.00 23.43 H new ATOM 0 HG2 GLU A 116 9.870 -3.784 6.507 1.00 11.42 H new ATOM 0 HG3 GLU A 116 8.118 -3.789 6.480 1.00 11.42 H new ATOM 1777 N ARG A 117 11.609 -6.952 7.022 1.00 53.01 N ATOM 1778 CA ARG A 117 13.043 -6.962 6.763 1.00 25.14 C ATOM 1779 C ARG A 117 13.362 -7.750 5.496 1.00 0.10 C ATOM 1780 O ARG A 117 14.351 -7.477 4.816 1.00 32.40 O ATOM 1781 CB ARG A 117 13.793 -7.564 7.953 1.00 24.30 C ATOM 1782 CG ARG A 117 13.767 -9.084 7.984 1.00 53.30 C ATOM 1783 CD ARG A 117 13.997 -9.616 9.390 1.00 61.45 C ATOM 1784 NE ARG A 117 15.032 -8.866 10.096 1.00 34.14 N ATOM 1785 CZ ARG A 117 16.322 -8.922 9.786 1.00 20.42 C ATOM 1786 NH1 ARG A 117 16.734 -9.690 8.786 1.00 11.44 N ATOM 1787 NH2 ARG A 117 17.203 -8.210 10.476 1.00 3.04 N ATOM 0 H ARG A 117 11.330 -7.441 7.873 1.00 53.01 H new ATOM 0 HA ARG A 117 13.368 -5.931 6.620 1.00 25.14 H new ATOM 0 HB2 ARG A 117 14.829 -7.227 7.926 1.00 24.30 H new ATOM 0 HB3 ARG A 117 13.358 -7.183 8.877 1.00 24.30 H new ATOM 0 HG2 ARG A 117 12.807 -9.440 7.611 1.00 53.30 H new ATOM 0 HG3 ARG A 117 14.534 -9.476 7.315 1.00 53.30 H new ATOM 0 HD2 ARG A 117 13.065 -9.566 9.953 1.00 61.45 H new ATOM 0 HD3 ARG A 117 14.282 -10.667 9.338 1.00 61.45 H new ATOM 0 HE ARG A 117 14.748 -8.266 10.870 1.00 34.14 H new ATOM 0 HH11 ARG A 117 16.059 -10.239 8.253 1.00 11.44 H new ATOM 0 HH12 ARG A 117 17.725 -9.731 8.550 1.00 11.44 H new ATOM 0 HH21 ARG A 117 16.890 -7.619 11.246 1.00 3.04 H new ATOM 0 HH22 ARG A 117 18.194 -8.254 10.237 1.00 3.04 H new ATOM 1801 N ALA A 118 12.518 -8.728 5.186 1.00 55.05 N ATOM 1802 CA ALA A 118 12.708 -9.554 4.000 1.00 61.11 C ATOM 1803 C ALA A 118 12.221 -8.836 2.746 1.00 2.41 C ATOM 1804 O ALA A 118 12.822 -8.956 1.678 1.00 50.31 O ATOM 1805 CB ALA A 118 11.987 -10.884 4.162 1.00 60.11 C ATOM 0 H ALA A 118 11.696 -8.968 5.740 1.00 55.05 H new ATOM 0 HA ALA A 118 13.776 -9.743 3.887 1.00 61.11 H new ATOM 0 HB1 ALA A 118 12.137 -11.491 3.269 1.00 60.11 H new ATOM 0 HB2 ALA A 118 12.385 -11.410 5.029 1.00 60.11 H new ATOM 0 HB3 ALA A 118 10.921 -10.705 4.304 1.00 60.11 H new ATOM 1811 N ILE A 119 11.130 -8.090 2.883 1.00 0.12 N ATOM 1812 CA ILE A 119 10.564 -7.352 1.761 1.00 74.10 C ATOM 1813 C ILE A 119 11.367 -6.088 1.472 1.00 34.35 C ATOM 1814 O ILE A 119 11.607 -5.744 0.315 1.00 14.44 O ATOM 1815 CB ILE A 119 9.096 -6.966 2.025 1.00 43.54 C ATOM 1816 CG1 ILE A 119 8.268 -8.211 2.348 1.00 41.13 C ATOM 1817 CG2 ILE A 119 8.517 -6.235 0.823 1.00 50.34 C ATOM 1818 CD1 ILE A 119 6.852 -7.900 2.780 1.00 43.40 C ATOM 0 H ILE A 119 10.621 -7.981 3.760 1.00 0.12 H new ATOM 0 HA ILE A 119 10.608 -8.012 0.895 1.00 74.10 H new ATOM 0 HB ILE A 119 9.061 -6.297 2.885 1.00 43.54 H new ATOM 0 HG12 ILE A 119 8.238 -8.855 1.469 1.00 41.13 H new ATOM 0 HG13 ILE A 119 8.765 -8.773 3.139 1.00 41.13 H new ATOM 0 HG21 ILE A 119 7.479 -5.969 1.024 1.00 50.34 H new ATOM 0 HG22 ILE A 119 9.094 -5.330 0.635 1.00 50.34 H new ATOM 0 HG23 ILE A 119 8.562 -6.882 -0.053 1.00 50.34 H new ATOM 0 HD11 ILE A 119 6.324 -8.830 2.993 1.00 43.40 H new ATOM 0 HD12 ILE A 119 6.873 -7.281 3.677 1.00 43.40 H new ATOM 0 HD13 ILE A 119 6.337 -7.365 1.982 1.00 43.40 H new ATOM 1830 N SER A 120 11.781 -5.402 2.533 1.00 60.22 N ATOM 1831 CA SER A 120 12.556 -4.175 2.394 1.00 41.21 C ATOM 1832 C SER A 120 13.950 -4.471 1.849 1.00 21.33 C ATOM 1833 O SER A 120 14.577 -3.619 1.219 1.00 62.31 O ATOM 1834 CB SER A 120 12.664 -3.460 3.742 1.00 43.41 C ATOM 1835 OG SER A 120 11.383 -3.238 4.306 1.00 43.11 O ATOM 0 H SER A 120 11.593 -5.675 3.498 1.00 60.22 H new ATOM 0 HA SER A 120 12.039 -3.526 1.687 1.00 41.21 H new ATOM 0 HB2 SER A 120 13.268 -4.056 4.426 1.00 43.41 H new ATOM 0 HB3 SER A 120 13.177 -2.507 3.612 1.00 43.41 H new ATOM 0 HG SER A 120 11.055 -4.069 4.709 1.00 43.11 H new ATOM 1841 N HIS A 121 14.429 -5.686 2.097 1.00 24.14 N ATOM 1842 CA HIS A 121 15.749 -6.097 1.632 1.00 4.20 C ATOM 1843 C HIS A 121 15.898 -5.850 0.134 1.00 63.02 C ATOM 1844 O HIS A 121 16.947 -5.402 -0.330 1.00 61.44 O ATOM 1845 CB HIS A 121 15.986 -7.575 1.943 1.00 11.02 C ATOM 1846 CG HIS A 121 17.420 -7.991 1.822 1.00 12.54 C ATOM 1847 ND1 HIS A 121 17.983 -8.417 0.638 1.00 53.40 N ATOM 1848 CD2 HIS A 121 18.407 -8.042 2.747 1.00 44.14 C ATOM 1849 CE1 HIS A 121 19.254 -8.714 0.839 1.00 1.21 C ATOM 1850 NE2 HIS A 121 19.537 -8.495 2.111 1.00 41.45 N ATOM 0 H HIS A 121 13.923 -6.403 2.617 1.00 24.14 H new ATOM 0 HA HIS A 121 16.494 -5.499 2.157 1.00 4.20 H new ATOM 0 HB2 HIS A 121 15.640 -7.785 2.955 1.00 11.02 H new ATOM 0 HB3 HIS A 121 15.382 -8.181 1.268 1.00 11.02 H new ATOM 0 HD2 HIS A 121 18.322 -7.776 3.790 1.00 44.14 H new ATOM 0 HE1 HIS A 121 19.945 -9.075 0.091 1.00 1.21 H new ATOM 0 HE2 HIS A 121 20.447 -8.639 2.549 1.00 41.45 H new ATOM 1858 N TYR A 122 14.843 -6.145 -0.617 1.00 61.31 N ATOM 1859 CA TYR A 122 14.858 -5.959 -2.063 1.00 53.41 C ATOM 1860 C TYR A 122 15.234 -4.525 -2.423 1.00 44.24 C ATOM 1861 O TYR A 122 16.135 -4.293 -3.229 1.00 42.32 O ATOM 1862 CB TYR A 122 13.491 -6.303 -2.657 1.00 33.03 C ATOM 1863 CG TYR A 122 13.241 -7.789 -2.780 1.00 63.23 C ATOM 1864 CD1 TYR A 122 12.731 -8.519 -1.713 1.00 50.25 C ATOM 1865 CD2 TYR A 122 13.517 -8.464 -3.963 1.00 72.01 C ATOM 1866 CE1 TYR A 122 12.502 -9.877 -1.821 1.00 41.14 C ATOM 1867 CE2 TYR A 122 13.290 -9.822 -4.080 1.00 53.55 C ATOM 1868 CZ TYR A 122 12.783 -10.524 -3.007 1.00 15.40 C ATOM 1869 OH TYR A 122 12.556 -11.876 -3.119 1.00 63.35 O ATOM 0 H TYR A 122 13.966 -6.514 -0.248 1.00 61.31 H new ATOM 0 HA TYR A 122 15.608 -6.629 -2.482 1.00 53.41 H new ATOM 0 HB2 TYR A 122 12.712 -5.862 -2.034 1.00 33.03 H new ATOM 0 HB3 TYR A 122 13.407 -5.846 -3.643 1.00 33.03 H new ATOM 0 HD1 TYR A 122 12.510 -8.016 -0.783 1.00 50.25 H new ATOM 0 HD2 TYR A 122 13.916 -7.918 -4.805 1.00 72.01 H new ATOM 0 HE1 TYR A 122 12.105 -10.429 -0.982 1.00 41.14 H new ATOM 0 HE2 TYR A 122 13.509 -10.331 -5.007 1.00 53.55 H new ATOM 0 HH TYR A 122 13.388 -12.363 -2.944 1.00 63.35 H new