USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 901 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 76 SER OG : rot 167:sc= 0.859 USER MOD Set 1.2: A 78 ASN : amide:sc= 0.231 K(o=1.1,f=0.082) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 147:sc= -6.26! (180deg=-10.8!) USER MOD Single : A 7 HIS : no HD1:sc= -6.42 K(o=-6.4,f=-8.7!) USER MOD Single : A 13 LYS NZ :NH3+ -141:sc= -0.896 (180deg=-3.19!) USER MOD Single : A 18 LYS NZ :NH3+ 169:sc=-0.00848 (180deg=-0.124) USER MOD Single : A 22 MET CE :methyl -172:sc= -1.58! (180deg=-1.95!) USER MOD Single : A 24 SER OG : rot 86:sc= -2.4! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN :FLIP amide:sc= -5.2! C(o=-6.6!,f=-5.2!) USER MOD Single : A 28 HIS : no HD1:sc= -0.825 K(o=-0.83,f=-3.4!) USER MOD Single : A 37 SER OG : rot 159:sc= -0.646 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 100:sc= -0.298 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 145:sc= -5.43! (180deg=-6.62!) USER MOD Single : A 52 ASN : amide:sc= -2 K(o=-2,f=-3.3!) USER MOD Single : A 55 GLN :FLIP amide:sc= -3.43! C(o=-5.5!,f=-3.4!) USER MOD Single : A 56 HIS : no HD1:sc= -0.465 K(o=-0.47,f=-1.5) USER MOD Single : A 58 LYS NZ :NH3+ 165:sc= -5.52! (180deg=-5.86!) USER MOD Single : A 66 LYS NZ :NH3+ -136:sc= -2.64 (180deg=-6.65!) USER MOD Single : A 67 TYR OH : rot -36:sc= 0.0154 USER MOD Single : A 73 LYS NZ :NH3+ 141:sc= -1.23 (180deg=-3.58!) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.411 F(o=-3.5!,f=-0.41) USER MOD Single : A 83 TYR OH : rot 158:sc= 0.927 USER MOD Single : A 84 HIS : no HD1:sc=-0.00587 X(o=-0.0059,f=-0.22) USER MOD Single : A 86 SER OG : rot 180:sc=9.02e-05! USER MOD Single : A 87 THR OG1 : rot 86:sc= -0.0637 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.0336 X(o=-0.034,f=-0.016) USER MOD Single : A 93 GLN :FLIP amide:sc= -0.0218 F(o=-1.7!,f=-0.022) USER MOD Single : A 94 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.13) USER MOD Single : A 102 GLN : amide:sc= -0.555 K(o=-0.55,f=-4.1!) USER MOD Single : A 105 GLN :FLIP amide:sc= -0.189 F(o=-1.5!,f=-0.19) USER MOD Single : A 106 GLN : amide:sc= -4.65! C(o=-4.6!,f=-8.6!) USER MOD Single : A 108 THR OG1 : rot -60:sc= 1.12 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.595 3.683 11.224 1.00 0.00 N ATOM 2 CA GLY A 1 23.681 2.754 11.877 1.00 0.00 C ATOM 3 C GLY A 1 22.222 3.191 11.737 1.00 0.00 C ATOM 4 O GLY A 1 21.597 3.040 10.694 1.00 0.00 O ATOM 0 H1 GLY A 1 25.573 3.349 11.343 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.369 3.738 10.210 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.496 4.626 11.652 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.805 1.761 11.446 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.936 2.677 12.934 1.00 0.00 H new ATOM 10 N ILE A 2 21.727 3.739 12.862 1.00 0.00 N ATOM 11 CA ILE A 2 20.348 4.188 12.854 1.00 0.00 C ATOM 12 C ILE A 2 20.080 5.003 11.587 1.00 0.00 C ATOM 13 O ILE A 2 20.724 6.009 11.316 1.00 0.00 O ATOM 14 CB ILE A 2 20.073 5.035 14.098 1.00 0.00 C ATOM 15 CG1 ILE A 2 18.608 5.467 14.145 1.00 0.00 C ATOM 16 CG2 ILE A 2 21.000 6.249 14.141 1.00 0.00 C ATOM 17 CD1 ILE A 2 18.274 6.206 15.441 1.00 0.00 C ATOM 0 H ILE A 2 22.237 3.871 13.735 1.00 0.00 H new ATOM 0 HA ILE A 2 19.684 3.323 12.864 1.00 0.00 H new ATOM 0 HB ILE A 2 20.274 4.424 14.978 1.00 0.00 H new ATOM 0 HG12 ILE A 2 18.392 6.112 13.293 1.00 0.00 H new ATOM 0 HG13 ILE A 2 17.967 4.590 14.051 1.00 0.00 H new ATOM 0 HG21 ILE A 2 20.788 6.838 15.033 1.00 0.00 H new ATOM 0 HG22 ILE A 2 22.037 5.914 14.165 1.00 0.00 H new ATOM 0 HG23 ILE A 2 20.838 6.862 13.255 1.00 0.00 H new ATOM 0 HD11 ILE A 2 17.223 6.496 15.434 1.00 0.00 H new ATOM 0 HD12 ILE A 2 18.465 5.552 16.292 1.00 0.00 H new ATOM 0 HD13 ILE A 2 18.896 7.098 15.522 1.00 0.00 H new ATOM 29 N GLU A 3 19.086 4.495 10.837 1.00 0.00 N ATOM 30 CA GLU A 3 18.741 5.178 9.604 1.00 0.00 C ATOM 31 C GLU A 3 17.396 5.888 9.768 1.00 0.00 C ATOM 32 O GLU A 3 16.381 5.285 10.093 1.00 0.00 O ATOM 33 CB GLU A 3 18.670 4.169 8.459 1.00 0.00 C ATOM 34 CG GLU A 3 18.342 4.843 7.125 1.00 0.00 C ATOM 35 CD GLU A 3 19.419 5.877 6.788 1.00 0.00 C ATOM 36 OE1 GLU A 3 20.592 5.607 7.045 1.00 0.00 O ATOM 37 OE2 GLU A 3 19.073 6.941 6.278 1.00 0.00 O ATOM 0 H GLU A 3 18.541 3.661 11.055 1.00 0.00 H new ATOM 0 HA GLU A 3 19.506 5.920 9.373 1.00 0.00 H new ATOM 0 HB2 GLU A 3 19.622 3.645 8.377 1.00 0.00 H new ATOM 0 HB3 GLU A 3 17.912 3.418 8.683 1.00 0.00 H new ATOM 0 HG2 GLU A 3 18.283 4.095 6.334 1.00 0.00 H new ATOM 0 HG3 GLU A 3 17.366 5.326 7.181 1.00 0.00 H new ATOM 44 N MET A 4 17.465 7.210 9.521 1.00 0.00 N ATOM 45 CA MET A 4 16.250 7.990 9.647 1.00 0.00 C ATOM 46 C MET A 4 15.787 8.445 8.261 1.00 0.00 C ATOM 47 O MET A 4 16.490 9.141 7.539 1.00 0.00 O ATOM 48 CB MET A 4 16.504 9.194 10.557 1.00 0.00 C ATOM 49 CG MET A 4 15.231 9.996 10.838 1.00 0.00 C ATOM 50 SD MET A 4 14.556 10.736 9.343 1.00 0.00 S ATOM 51 CE MET A 4 13.132 11.549 10.088 1.00 0.00 C ATOM 0 H MET A 4 18.303 7.724 9.249 1.00 0.00 H new ATOM 0 HA MET A 4 15.465 7.379 10.092 1.00 0.00 H new ATOM 0 HB2 MET A 4 16.928 8.849 11.500 1.00 0.00 H new ATOM 0 HB3 MET A 4 17.245 9.845 10.094 1.00 0.00 H new ATOM 0 HG2 MET A 4 14.483 9.343 11.289 1.00 0.00 H new ATOM 0 HG3 MET A 4 15.449 10.780 11.564 1.00 0.00 H new ATOM 0 HE1 MET A 4 12.569 12.075 9.317 1.00 0.00 H new ATOM 0 HE2 MET A 4 12.492 10.803 10.559 1.00 0.00 H new ATOM 0 HE3 MET A 4 13.472 12.262 10.839 1.00 0.00 H new ATOM 61 N LYS A 5 14.556 8.000 7.948 1.00 0.00 N ATOM 62 CA LYS A 5 14.001 8.355 6.657 1.00 0.00 C ATOM 63 C LYS A 5 12.470 8.380 6.783 1.00 0.00 C ATOM 64 O LYS A 5 11.926 8.228 7.871 1.00 0.00 O ATOM 65 CB LYS A 5 14.493 7.342 5.622 1.00 0.00 C ATOM 66 CG LYS A 5 13.620 6.087 5.585 1.00 0.00 C ATOM 67 CD LYS A 5 14.086 5.101 4.513 1.00 0.00 C ATOM 68 CE LYS A 5 13.194 3.861 4.453 1.00 0.00 C ATOM 69 NZ LYS A 5 13.612 2.928 3.414 1.00 0.00 N ATOM 0 H LYS A 5 13.963 7.424 8.546 1.00 0.00 H new ATOM 0 HA LYS A 5 14.325 9.343 6.329 1.00 0.00 H new ATOM 0 HB2 LYS A 5 14.501 7.807 4.636 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.521 7.061 5.850 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.642 5.600 6.560 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.585 6.370 5.393 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.087 5.595 3.541 1.00 0.00 H new ATOM 0 HD3 LYS A 5 15.113 4.800 4.719 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.211 3.357 5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.163 4.166 4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.415 1.954 3.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.088 3.126 2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.632 3.037 3.240 1.00 0.00 H new ATOM 83 N PRO A 6 11.789 8.586 5.631 1.00 0.00 N ATOM 84 CA PRO A 6 10.338 8.693 5.606 1.00 0.00 C ATOM 85 C PRO A 6 9.649 7.495 6.260 1.00 0.00 C ATOM 86 O PRO A 6 9.834 6.348 5.869 1.00 0.00 O ATOM 87 CB PRO A 6 9.994 8.789 4.117 1.00 0.00 C ATOM 88 CG PRO A 6 11.278 9.295 3.453 1.00 0.00 C ATOM 89 CD PRO A 6 12.404 8.731 4.321 1.00 0.00 C ATOM 0 HA PRO A 6 9.989 9.553 6.177 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.696 7.820 3.716 1.00 0.00 H new ATOM 0 HB3 PRO A 6 9.163 9.474 3.946 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.357 8.946 2.424 1.00 0.00 H new ATOM 0 HG3 PRO A 6 11.307 10.384 3.423 1.00 0.00 H new ATOM 0 HD2 PRO A 6 12.764 7.775 3.939 1.00 0.00 H new ATOM 0 HD3 PRO A 6 13.261 9.404 4.353 1.00 0.00 H new ATOM 97 N HIS A 7 8.856 7.848 7.289 1.00 0.00 N ATOM 98 CA HIS A 7 8.190 6.819 8.070 1.00 0.00 C ATOM 99 C HIS A 7 7.733 5.662 7.165 1.00 0.00 C ATOM 100 O HIS A 7 7.504 5.830 5.974 1.00 0.00 O ATOM 101 CB HIS A 7 7.032 7.437 8.866 1.00 0.00 C ATOM 102 CG HIS A 7 6.050 8.142 7.959 1.00 0.00 C ATOM 103 ND1 HIS A 7 6.397 9.017 6.989 1.00 0.00 N ATOM 104 CD2 HIS A 7 4.650 8.038 7.979 1.00 0.00 C ATOM 105 CE1 HIS A 7 5.243 9.431 6.440 1.00 0.00 C ATOM 106 NE2 HIS A 7 4.172 8.858 7.016 1.00 0.00 N ATOM 0 H HIS A 7 8.672 8.807 7.583 1.00 0.00 H new ATOM 0 HA HIS A 7 8.892 6.395 8.788 1.00 0.00 H new ATOM 0 HB2 HIS A 7 6.516 6.656 9.425 1.00 0.00 H new ATOM 0 HB3 HIS A 7 7.427 8.144 9.596 1.00 0.00 H new ATOM 0 HD2 HIS A 7 4.064 7.418 8.641 1.00 0.00 H new ATOM 0 HE1 HIS A 7 5.183 10.142 5.629 1.00 0.00 H new ATOM 0 HE2 HIS A 7 3.193 9.011 6.774 1.00 0.00 H new ATOM 114 N PRO A 8 7.642 4.466 7.798 1.00 0.00 N ATOM 115 CA PRO A 8 7.338 3.216 7.110 1.00 0.00 C ATOM 116 C PRO A 8 6.227 3.256 6.059 1.00 0.00 C ATOM 117 O PRO A 8 5.129 3.751 6.282 1.00 0.00 O ATOM 118 CB PRO A 8 6.975 2.250 8.236 1.00 0.00 C ATOM 119 CG PRO A 8 7.732 2.780 9.456 1.00 0.00 C ATOM 120 CD PRO A 8 7.834 4.291 9.235 1.00 0.00 C ATOM 0 HA PRO A 8 8.203 2.929 6.512 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.900 2.233 8.413 1.00 0.00 H new ATOM 0 HB3 PRO A 8 7.275 1.230 7.996 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.201 2.551 10.380 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.719 2.325 9.536 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.075 4.827 9.805 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.803 4.674 9.555 1.00 0.00 H new ATOM 128 N TRP A 9 6.606 2.671 4.905 1.00 0.00 N ATOM 129 CA TRP A 9 5.641 2.411 3.843 1.00 0.00 C ATOM 130 C TRP A 9 4.772 3.629 3.493 1.00 0.00 C ATOM 131 O TRP A 9 3.747 3.494 2.836 1.00 0.00 O ATOM 132 CB TRP A 9 4.761 1.185 4.153 1.00 0.00 C ATOM 133 CG TRP A 9 4.187 1.224 5.554 1.00 0.00 C ATOM 134 CD1 TRP A 9 4.657 0.470 6.637 1.00 0.00 C ATOM 135 CD2 TRP A 9 3.087 2.017 6.047 1.00 0.00 C ATOM 136 NE1 TRP A 9 3.930 0.744 7.749 1.00 0.00 N ATOM 137 CE2 TRP A 9 2.950 1.684 7.463 1.00 0.00 C ATOM 138 CE3 TRP A 9 2.215 2.961 5.453 1.00 0.00 C ATOM 139 CZ2 TRP A 9 1.950 2.304 8.248 1.00 0.00 C ATOM 140 CZ3 TRP A 9 1.193 3.596 6.249 1.00 0.00 C ATOM 141 CH2 TRP A 9 1.061 3.267 7.648 1.00 0.00 C ATOM 0 H TRP A 9 7.560 2.377 4.696 1.00 0.00 H new ATOM 0 HA TRP A 9 6.239 2.190 2.959 1.00 0.00 H new ATOM 0 HB2 TRP A 9 3.946 1.135 3.431 1.00 0.00 H new ATOM 0 HB3 TRP A 9 5.352 0.277 4.031 1.00 0.00 H new ATOM 0 HD1 TRP A 9 5.479 -0.229 6.593 1.00 0.00 H new ATOM 0 HE1 TRP A 9 4.082 0.320 8.664 1.00 0.00 H new ATOM 0 HE3 TRP A 9 2.315 3.205 4.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 1.853 2.056 9.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.527 4.317 5.798 1.00 0.00 H new ATOM 0 HH2 TRP A 9 0.297 3.742 8.245 1.00 0.00 H new ATOM 152 N PHE A 10 5.229 4.817 3.931 1.00 0.00 N ATOM 153 CA PHE A 10 4.475 5.986 3.518 1.00 0.00 C ATOM 154 C PHE A 10 5.149 6.631 2.303 1.00 0.00 C ATOM 155 O PHE A 10 6.294 7.064 2.352 1.00 0.00 O ATOM 156 CB PHE A 10 4.388 6.995 4.663 1.00 0.00 C ATOM 157 CG PHE A 10 3.491 8.138 4.292 1.00 0.00 C ATOM 158 CD1 PHE A 10 4.014 9.267 3.568 1.00 0.00 C ATOM 159 CD2 PHE A 10 2.098 8.115 4.658 1.00 0.00 C ATOM 160 CE1 PHE A 10 3.155 10.365 3.211 1.00 0.00 C ATOM 161 CE2 PHE A 10 1.235 9.211 4.303 1.00 0.00 C ATOM 162 CZ PHE A 10 1.764 10.335 3.580 1.00 0.00 C ATOM 0 H PHE A 10 6.046 4.977 4.520 1.00 0.00 H new ATOM 0 HA PHE A 10 3.465 5.678 3.249 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.009 6.504 5.559 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.384 7.369 4.901 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.058 9.290 3.291 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.699 7.271 5.201 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.553 11.209 2.668 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.191 9.189 4.580 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.117 11.158 3.313 1.00 0.00 H new ATOM 172 N PHE A 11 4.357 6.661 1.214 1.00 0.00 N ATOM 173 CA PHE A 11 4.875 7.250 -0.005 1.00 0.00 C ATOM 174 C PHE A 11 3.960 8.400 -0.436 1.00 0.00 C ATOM 175 O PHE A 11 2.828 8.210 -0.864 1.00 0.00 O ATOM 176 CB PHE A 11 4.981 6.174 -1.091 1.00 0.00 C ATOM 177 CG PHE A 11 6.146 5.264 -0.832 1.00 0.00 C ATOM 178 CD1 PHE A 11 6.222 4.494 0.384 1.00 0.00 C ATOM 179 CD2 PHE A 11 7.206 5.161 -1.801 1.00 0.00 C ATOM 180 CE1 PHE A 11 7.349 3.635 0.631 1.00 0.00 C ATOM 181 CE2 PHE A 11 8.334 4.302 -1.559 1.00 0.00 C ATOM 182 CZ PHE A 11 8.405 3.539 -0.342 1.00 0.00 C ATOM 0 H PHE A 11 3.404 6.300 1.164 1.00 0.00 H new ATOM 0 HA PHE A 11 5.874 7.653 0.163 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.060 5.592 -1.123 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.093 6.646 -2.067 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.429 4.562 1.114 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.154 5.733 -2.716 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.403 3.063 1.545 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.126 4.230 -2.290 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.251 2.894 -0.158 1.00 0.00 H new ATOM 192 N GLY A 12 4.533 9.606 -0.269 1.00 0.00 N ATOM 193 CA GLY A 12 3.739 10.794 -0.516 1.00 0.00 C ATOM 194 C GLY A 12 3.421 10.958 -2.002 1.00 0.00 C ATOM 195 O GLY A 12 4.291 10.917 -2.864 1.00 0.00 O ATOM 0 H GLY A 12 5.497 9.768 0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.810 10.736 0.051 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.276 11.673 -0.159 1.00 0.00 H new ATOM 199 N LYS A 13 2.106 11.156 -2.211 1.00 0.00 N ATOM 200 CA LYS A 13 1.564 11.418 -3.528 1.00 0.00 C ATOM 201 C LYS A 13 2.447 10.836 -4.635 1.00 0.00 C ATOM 202 O LYS A 13 2.764 11.496 -5.617 1.00 0.00 O ATOM 203 CB LYS A 13 1.403 12.925 -3.703 1.00 0.00 C ATOM 204 CG LYS A 13 0.576 13.246 -4.942 1.00 0.00 C ATOM 205 CD LYS A 13 0.417 14.752 -5.145 1.00 0.00 C ATOM 206 CE LYS A 13 -0.401 15.076 -6.395 1.00 0.00 C ATOM 207 NZ LYS A 13 -0.561 16.511 -6.596 1.00 0.00 N ATOM 0 H LYS A 13 1.407 11.136 -1.469 1.00 0.00 H new ATOM 0 HA LYS A 13 0.594 10.928 -3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.922 13.348 -2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.384 13.392 -3.786 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.052 12.809 -5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.408 12.786 -4.851 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.068 15.187 -4.271 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.401 15.213 -5.226 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.086 14.641 -7.268 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.384 14.611 -6.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.523 16.708 -6.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.405 17.007 -5.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.131 16.843 -7.298 1.00 0.00 H new ATOM 221 N ILE A 14 2.816 9.563 -4.414 1.00 0.00 N ATOM 222 CA ILE A 14 3.609 8.914 -5.439 1.00 0.00 C ATOM 223 C ILE A 14 2.694 8.553 -6.618 1.00 0.00 C ATOM 224 O ILE A 14 1.602 8.027 -6.437 1.00 0.00 O ATOM 225 CB ILE A 14 4.249 7.651 -4.860 1.00 0.00 C ATOM 226 CG1 ILE A 14 5.418 7.183 -5.725 1.00 0.00 C ATOM 227 CG2 ILE A 14 3.207 6.543 -4.708 1.00 0.00 C ATOM 228 CD1 ILE A 14 6.618 8.121 -5.590 1.00 0.00 C ATOM 0 H ILE A 14 2.591 9.005 -3.590 1.00 0.00 H new ATOM 0 HA ILE A 14 4.398 9.582 -5.785 1.00 0.00 H new ATOM 0 HB ILE A 14 4.641 7.891 -3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.708 6.174 -5.433 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.106 7.136 -6.768 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.681 5.652 -4.295 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.415 6.877 -4.037 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.781 6.308 -5.683 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.433 7.761 -6.217 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.333 9.124 -5.906 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.944 8.147 -4.550 1.00 0.00 H new ATOM 240 N PRO A 15 3.184 8.868 -7.839 1.00 0.00 N ATOM 241 CA PRO A 15 2.443 8.604 -9.063 1.00 0.00 C ATOM 242 C PRO A 15 2.272 7.102 -9.297 1.00 0.00 C ATOM 243 O PRO A 15 3.230 6.340 -9.326 1.00 0.00 O ATOM 244 CB PRO A 15 3.291 9.228 -10.172 1.00 0.00 C ATOM 245 CG PRO A 15 4.692 9.380 -9.575 1.00 0.00 C ATOM 246 CD PRO A 15 4.485 9.479 -8.063 1.00 0.00 C ATOM 0 HA PRO A 15 1.436 9.019 -9.024 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.308 8.593 -11.058 1.00 0.00 H new ATOM 0 HB3 PRO A 15 2.888 10.193 -10.479 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.321 8.527 -9.830 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.189 10.270 -9.962 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.270 8.954 -7.519 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.501 10.515 -7.726 1.00 0.00 H new ATOM 254 N ARG A 16 0.981 6.740 -9.444 1.00 0.00 N ATOM 255 CA ARG A 16 0.630 5.345 -9.640 1.00 0.00 C ATOM 256 C ARG A 16 1.705 4.618 -10.454 1.00 0.00 C ATOM 257 O ARG A 16 2.087 3.492 -10.159 1.00 0.00 O ATOM 258 CB ARG A 16 -0.707 5.273 -10.375 1.00 0.00 C ATOM 259 CG ARG A 16 -1.847 5.895 -9.567 1.00 0.00 C ATOM 260 CD ARG A 16 -3.164 5.879 -10.344 1.00 0.00 C ATOM 261 NE ARG A 16 -4.231 6.435 -9.534 1.00 0.00 N ATOM 262 CZ ARG A 16 -4.899 5.624 -8.694 1.00 0.00 C ATOM 263 NH1 ARG A 16 -4.584 4.334 -8.612 1.00 0.00 N ATOM 264 NH2 ARG A 16 -5.880 6.114 -7.940 1.00 0.00 N ATOM 0 H ARG A 16 0.192 7.386 -9.429 1.00 0.00 H new ATOM 0 HA ARG A 16 0.554 4.858 -8.668 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.621 5.786 -11.333 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.944 4.232 -10.592 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.970 5.350 -8.631 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.590 6.922 -9.306 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.059 6.454 -11.264 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.412 4.858 -10.633 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.471 7.424 -9.600 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.832 3.955 -9.188 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.094 3.724 -7.973 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.124 7.103 -8.000 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.388 5.501 -7.302 1.00 0.00 H new ATOM 278 N ALA A 17 2.173 5.345 -11.484 1.00 0.00 N ATOM 279 CA ALA A 17 3.215 4.762 -12.305 1.00 0.00 C ATOM 280 C ALA A 17 4.389 4.341 -11.419 1.00 0.00 C ATOM 281 O ALA A 17 4.636 3.163 -11.189 1.00 0.00 O ATOM 282 CB ALA A 17 3.679 5.777 -13.350 1.00 0.00 C ATOM 0 H ALA A 17 1.861 6.280 -11.747 1.00 0.00 H new ATOM 0 HA ALA A 17 2.824 3.883 -12.818 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.462 5.334 -13.965 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.837 6.059 -13.982 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.069 6.663 -12.849 1.00 0.00 H new ATOM 288 N LYS A 18 5.092 5.387 -10.947 1.00 0.00 N ATOM 289 CA LYS A 18 6.261 5.126 -10.127 1.00 0.00 C ATOM 290 C LYS A 18 5.980 3.991 -9.139 1.00 0.00 C ATOM 291 O LYS A 18 6.745 3.043 -9.014 1.00 0.00 O ATOM 292 CB LYS A 18 6.660 6.392 -9.373 1.00 0.00 C ATOM 293 CG LYS A 18 7.957 6.182 -8.593 1.00 0.00 C ATOM 294 CD LYS A 18 9.146 5.937 -9.521 1.00 0.00 C ATOM 295 CE LYS A 18 9.430 7.145 -10.415 1.00 0.00 C ATOM 296 NZ LYS A 18 9.835 8.319 -9.649 1.00 0.00 N ATOM 0 H LYS A 18 4.877 6.370 -11.115 1.00 0.00 H new ATOM 0 HA LYS A 18 7.083 4.824 -10.776 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.785 7.214 -10.077 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.862 6.678 -8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.154 7.057 -7.974 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.842 5.333 -7.919 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.030 5.710 -8.926 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.947 5.064 -10.143 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.215 6.890 -11.127 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.538 7.382 -10.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.194 9.049 -10.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.017 8.692 -9.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.584 8.054 -8.977 1.00 0.00 H new ATOM 310 N ALA A 19 4.833 4.151 -8.451 1.00 0.00 N ATOM 311 CA ALA A 19 4.490 3.142 -7.468 1.00 0.00 C ATOM 312 C ALA A 19 4.665 1.753 -8.081 1.00 0.00 C ATOM 313 O ALA A 19 5.425 0.921 -7.599 1.00 0.00 O ATOM 314 CB ALA A 19 3.045 3.331 -7.004 1.00 0.00 C ATOM 0 H ALA A 19 4.174 4.922 -8.555 1.00 0.00 H new ATOM 0 HA ALA A 19 5.150 3.241 -6.606 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.797 2.568 -6.266 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.933 4.319 -6.557 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.374 3.241 -7.858 1.00 0.00 H new ATOM 320 N GLU A 20 3.909 1.570 -9.177 1.00 0.00 N ATOM 321 CA GLU A 20 3.990 0.294 -9.860 1.00 0.00 C ATOM 322 C GLU A 20 5.453 -0.072 -10.112 1.00 0.00 C ATOM 323 O GLU A 20 5.914 -1.159 -9.790 1.00 0.00 O ATOM 324 CB GLU A 20 3.248 0.375 -11.194 1.00 0.00 C ATOM 325 CG GLU A 20 1.739 0.532 -11.003 1.00 0.00 C ATOM 326 CD GLU A 20 1.049 0.622 -12.366 1.00 0.00 C ATOM 327 OE1 GLU A 20 1.665 1.128 -13.303 1.00 0.00 O ATOM 328 OE2 GLU A 20 -0.094 0.183 -12.474 1.00 0.00 O ATOM 0 H GLU A 20 3.272 2.255 -9.582 1.00 0.00 H new ATOM 0 HA GLU A 20 3.531 -0.472 -9.235 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.630 1.218 -11.770 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.448 -0.525 -11.775 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.345 -0.315 -10.441 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.529 1.428 -10.419 1.00 0.00 H new ATOM 335 N GLU A 21 6.139 0.908 -10.723 1.00 0.00 N ATOM 336 CA GLU A 21 7.500 0.637 -11.140 1.00 0.00 C ATOM 337 C GLU A 21 8.347 0.158 -9.958 1.00 0.00 C ATOM 338 O GLU A 21 8.580 -1.030 -9.773 1.00 0.00 O ATOM 339 CB GLU A 21 8.103 1.892 -11.769 1.00 0.00 C ATOM 340 CG GLU A 21 7.233 2.410 -12.914 1.00 0.00 C ATOM 341 CD GLU A 21 7.918 3.597 -13.595 1.00 0.00 C ATOM 342 OE1 GLU A 21 8.659 4.313 -12.923 1.00 0.00 O ATOM 343 OE2 GLU A 21 7.707 3.788 -14.791 1.00 0.00 O ATOM 0 H GLU A 21 5.787 1.844 -10.926 1.00 0.00 H new ATOM 0 HA GLU A 21 7.490 -0.160 -11.883 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.209 2.667 -11.010 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.104 1.671 -12.141 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.060 1.615 -13.639 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.257 2.712 -12.533 1.00 0.00 H new ATOM 350 N MET A 22 8.811 1.160 -9.191 1.00 0.00 N ATOM 351 CA MET A 22 9.726 0.826 -8.114 1.00 0.00 C ATOM 352 C MET A 22 9.221 -0.390 -7.329 1.00 0.00 C ATOM 353 O MET A 22 9.987 -1.260 -6.934 1.00 0.00 O ATOM 354 CB MET A 22 9.900 2.026 -7.183 1.00 0.00 C ATOM 355 CG MET A 22 8.601 2.393 -6.463 1.00 0.00 C ATOM 356 SD MET A 22 8.801 3.857 -5.431 1.00 0.00 S ATOM 357 CE MET A 22 10.592 3.820 -5.255 1.00 0.00 C ATOM 0 H MET A 22 8.579 2.148 -9.294 1.00 0.00 H new ATOM 0 HA MET A 22 10.693 0.572 -8.548 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.671 1.803 -6.446 1.00 0.00 H new ATOM 0 HB3 MET A 22 10.248 2.883 -7.759 1.00 0.00 H new ATOM 0 HG2 MET A 22 7.815 2.570 -7.198 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.277 1.555 -5.846 1.00 0.00 H new ATOM 0 HE1 MET A 22 10.902 4.571 -4.528 1.00 0.00 H new ATOM 0 HE2 MET A 22 10.904 2.833 -4.913 1.00 0.00 H new ATOM 0 HE3 MET A 22 11.057 4.034 -6.218 1.00 0.00 H new ATOM 367 N LEU A 23 7.890 -0.394 -7.128 1.00 0.00 N ATOM 368 CA LEU A 23 7.332 -1.472 -6.329 1.00 0.00 C ATOM 369 C LEU A 23 7.427 -2.825 -7.052 1.00 0.00 C ATOM 370 O LEU A 23 7.575 -3.868 -6.426 1.00 0.00 O ATOM 371 CB LEU A 23 5.875 -1.164 -5.992 1.00 0.00 C ATOM 372 CG LEU A 23 5.273 -2.216 -5.060 1.00 0.00 C ATOM 373 CD1 LEU A 23 6.052 -2.294 -3.749 1.00 0.00 C ATOM 374 CD2 LEU A 23 3.803 -1.904 -4.785 1.00 0.00 C ATOM 0 H LEU A 23 7.227 0.294 -7.486 1.00 0.00 H new ATOM 0 HA LEU A 23 7.916 -1.545 -5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.810 -0.183 -5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.292 -1.116 -6.911 1.00 0.00 H new ATOM 0 HG LEU A 23 5.340 -3.185 -5.554 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.604 -3.049 -3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.088 -2.562 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.021 -1.326 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.388 -2.662 -4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.721 -0.924 -4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.249 -1.903 -5.724 1.00 0.00 H new ATOM 386 N SER A 24 7.334 -2.751 -8.394 1.00 0.00 N ATOM 387 CA SER A 24 7.433 -3.994 -9.144 1.00 0.00 C ATOM 388 C SER A 24 8.853 -4.575 -9.064 1.00 0.00 C ATOM 389 O SER A 24 9.048 -5.783 -9.015 1.00 0.00 O ATOM 390 CB SER A 24 7.059 -3.748 -10.607 1.00 0.00 C ATOM 391 OG SER A 24 5.739 -3.281 -10.716 1.00 0.00 O ATOM 0 H SER A 24 7.200 -1.901 -8.941 1.00 0.00 H new ATOM 0 HA SER A 24 6.742 -4.713 -8.705 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.743 -3.021 -11.044 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.170 -4.672 -11.175 1.00 0.00 H new ATOM 0 HG SER A 24 5.727 -2.307 -10.610 1.00 0.00 H new ATOM 397 N LYS A 25 9.821 -3.639 -9.056 1.00 0.00 N ATOM 398 CA LYS A 25 11.210 -4.055 -9.012 1.00 0.00 C ATOM 399 C LYS A 25 11.581 -4.612 -7.628 1.00 0.00 C ATOM 400 O LYS A 25 12.702 -4.451 -7.161 1.00 0.00 O ATOM 401 CB LYS A 25 12.080 -2.841 -9.337 1.00 0.00 C ATOM 402 CG LYS A 25 11.602 -2.138 -10.608 1.00 0.00 C ATOM 403 CD LYS A 25 12.339 -0.822 -10.851 1.00 0.00 C ATOM 404 CE LYS A 25 13.797 -1.046 -11.252 1.00 0.00 C ATOM 405 NZ LYS A 25 14.505 0.206 -11.494 1.00 0.00 N ATOM 0 H LYS A 25 9.664 -2.631 -9.079 1.00 0.00 H new ATOM 0 HA LYS A 25 11.373 -4.850 -9.739 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.058 -2.141 -8.502 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.116 -3.156 -9.461 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.748 -2.798 -11.463 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.532 -1.945 -10.534 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.830 -0.261 -11.635 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.301 -0.213 -9.947 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.306 -1.602 -10.465 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.833 -1.661 -12.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.489 0.002 -11.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.037 0.727 -12.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.495 0.783 -10.629 1.00 0.00 H new ATOM 419 N GLN A 26 10.582 -5.264 -7.002 1.00 0.00 N ATOM 420 CA GLN A 26 10.847 -5.800 -5.682 1.00 0.00 C ATOM 421 C GLN A 26 11.098 -7.303 -5.769 1.00 0.00 C ATOM 422 O GLN A 26 10.374 -8.056 -6.410 1.00 0.00 O ATOM 423 CB GLN A 26 9.674 -5.504 -4.751 1.00 0.00 C ATOM 424 CG GLN A 26 9.522 -4.007 -4.494 1.00 0.00 C ATOM 425 CD GLN A 26 10.712 -3.465 -3.697 1.00 0.00 C ATOM 426 OE1 GLN A 26 10.346 -2.900 -2.533 1.00 0.00 O flip ATOM 427 NE2 GLN A 26 11.864 -3.546 -4.109 1.00 0.00 N flip ATOM 0 H GLN A 26 9.644 -5.419 -7.372 1.00 0.00 H new ATOM 0 HA GLN A 26 11.739 -5.323 -5.276 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.755 -5.893 -5.188 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.821 -6.023 -3.804 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.444 -3.477 -5.443 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.598 -3.820 -3.947 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.055 -3.992 -5.006 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.632 -3.167 -3.554 1.00 0.00 H new ATOM 436 N ARG A 27 12.193 -7.664 -5.082 1.00 0.00 N ATOM 437 CA ARG A 27 12.621 -9.049 -5.110 1.00 0.00 C ATOM 438 C ARG A 27 11.810 -9.884 -4.114 1.00 0.00 C ATOM 439 O ARG A 27 11.399 -11.003 -4.397 1.00 0.00 O ATOM 440 CB ARG A 27 14.106 -9.104 -4.757 1.00 0.00 C ATOM 441 CG ARG A 27 14.915 -8.156 -5.640 1.00 0.00 C ATOM 442 CD ARG A 27 16.377 -8.082 -5.208 1.00 0.00 C ATOM 443 NE ARG A 27 16.468 -7.631 -3.832 1.00 0.00 N ATOM 444 CZ ARG A 27 17.620 -7.081 -3.405 1.00 0.00 C ATOM 445 NH1 ARG A 27 18.653 -6.956 -4.236 1.00 0.00 N ATOM 446 NH2 ARG A 27 17.728 -6.662 -2.148 1.00 0.00 N ATOM 0 H ARG A 27 12.771 -7.036 -4.524 1.00 0.00 H new ATOM 0 HA ARG A 27 12.458 -9.463 -6.105 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.244 -8.837 -3.709 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.475 -10.123 -4.878 1.00 0.00 H new ATOM 0 HG2 ARG A 27 14.859 -8.489 -6.676 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.474 -7.160 -5.602 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.844 -9.062 -5.309 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.923 -7.399 -5.859 1.00 0.00 H new ATOM 0 HE ARG A 27 15.674 -7.729 -3.200 1.00 0.00 H new ATOM 0 HH11 ARG A 27 18.573 -7.278 -5.201 1.00 0.00 H new ATOM 0 HH12 ARG A 27 19.524 -6.539 -3.908 1.00 0.00 H new ATOM 0 HH21 ARG A 27 16.939 -6.758 -1.509 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.600 -6.245 -1.823 1.00 0.00 H new ATOM 460 N HIS A 28 11.611 -9.266 -2.935 1.00 0.00 N ATOM 461 CA HIS A 28 10.879 -9.980 -1.908 1.00 0.00 C ATOM 462 C HIS A 28 9.392 -9.633 -2.003 1.00 0.00 C ATOM 463 O HIS A 28 8.954 -8.548 -1.644 1.00 0.00 O ATOM 464 CB HIS A 28 11.415 -9.603 -0.524 1.00 0.00 C ATOM 465 CG HIS A 28 12.853 -10.044 -0.388 1.00 0.00 C ATOM 466 ND1 HIS A 28 13.716 -10.156 -1.422 1.00 0.00 N ATOM 467 CD2 HIS A 28 13.527 -10.404 0.791 1.00 0.00 C ATOM 468 CE1 HIS A 28 14.878 -10.570 -0.886 1.00 0.00 C ATOM 469 NE2 HIS A 28 14.794 -10.729 0.448 1.00 0.00 N ATOM 0 H HIS A 28 11.931 -8.329 -2.690 1.00 0.00 H new ATOM 0 HA HIS A 28 11.009 -11.052 -2.056 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.341 -8.525 -0.378 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.808 -10.072 0.250 1.00 0.00 H new ATOM 0 HD2 HIS A 28 13.110 -10.418 1.787 1.00 0.00 H new ATOM 0 HE1 HIS A 28 15.775 -10.754 -1.459 1.00 0.00 H new ATOM 0 HE2 HIS A 28 15.538 -11.034 1.075 1.00 0.00 H new ATOM 477 N ASP A 29 8.655 -10.640 -2.504 1.00 0.00 N ATOM 478 CA ASP A 29 7.221 -10.453 -2.605 1.00 0.00 C ATOM 479 C ASP A 29 6.665 -10.040 -1.242 1.00 0.00 C ATOM 480 O ASP A 29 6.847 -10.717 -0.238 1.00 0.00 O ATOM 481 CB ASP A 29 6.563 -11.753 -3.068 1.00 0.00 C ATOM 482 CG ASP A 29 7.115 -12.156 -4.438 1.00 0.00 C ATOM 483 OD1 ASP A 29 7.587 -11.280 -5.162 1.00 0.00 O ATOM 484 OD2 ASP A 29 7.071 -13.341 -4.762 1.00 0.00 O ATOM 0 H ASP A 29 9.014 -11.539 -2.826 1.00 0.00 H new ATOM 0 HA ASP A 29 7.006 -9.670 -3.332 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.751 -12.545 -2.343 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.482 -11.624 -3.125 1.00 0.00 H new ATOM 489 N GLY A 30 5.982 -8.881 -1.277 1.00 0.00 N ATOM 490 CA GLY A 30 5.427 -8.390 -0.029 1.00 0.00 C ATOM 491 C GLY A 30 5.649 -6.880 0.146 1.00 0.00 C ATOM 492 O GLY A 30 4.840 -6.185 0.748 1.00 0.00 O ATOM 0 H GLY A 30 5.814 -8.308 -2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.359 -8.605 0.002 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.884 -8.923 0.805 1.00 0.00 H new ATOM 496 N ALA A 31 6.784 -6.417 -0.415 1.00 0.00 N ATOM 497 CA ALA A 31 7.070 -4.998 -0.307 1.00 0.00 C ATOM 498 C ALA A 31 5.813 -4.200 -0.653 1.00 0.00 C ATOM 499 O ALA A 31 5.094 -4.512 -1.595 1.00 0.00 O ATOM 500 CB ALA A 31 8.214 -4.627 -1.252 1.00 0.00 C ATOM 0 H ALA A 31 7.473 -6.977 -0.917 1.00 0.00 H new ATOM 0 HA ALA A 31 7.371 -4.761 0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.425 -3.561 -1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.105 -5.195 -0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.929 -4.860 -2.278 1.00 0.00 H new ATOM 506 N PHE A 32 5.583 -3.170 0.181 1.00 0.00 N ATOM 507 CA PHE A 32 4.346 -2.440 -0.022 1.00 0.00 C ATOM 508 C PHE A 32 4.532 -0.952 0.281 1.00 0.00 C ATOM 509 O PHE A 32 5.475 -0.533 0.940 1.00 0.00 O ATOM 510 CB PHE A 32 3.261 -3.020 0.887 1.00 0.00 C ATOM 511 CG PHE A 32 3.603 -2.823 2.335 1.00 0.00 C ATOM 512 CD1 PHE A 32 4.584 -3.665 2.970 1.00 0.00 C ATOM 513 CD2 PHE A 32 2.955 -1.789 3.100 1.00 0.00 C ATOM 514 CE1 PHE A 32 4.916 -3.476 4.357 1.00 0.00 C ATOM 515 CE2 PHE A 32 3.283 -1.598 4.488 1.00 0.00 C ATOM 516 CZ PHE A 32 4.264 -2.442 5.116 1.00 0.00 C ATOM 0 H PHE A 32 6.188 -2.852 0.938 1.00 0.00 H new ATOM 0 HA PHE A 32 4.049 -2.541 -1.066 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.306 -2.542 0.668 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.140 -4.083 0.681 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.073 -4.442 2.402 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.219 -1.154 2.630 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.653 -4.109 4.828 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.793 -0.822 5.057 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.511 -2.300 6.158 1.00 0.00 H new ATOM 526 N LEU A 33 3.546 -0.197 -0.238 1.00 0.00 N ATOM 527 CA LEU A 33 3.505 1.212 0.101 1.00 0.00 C ATOM 528 C LEU A 33 2.054 1.688 0.136 1.00 0.00 C ATOM 529 O LEU A 33 1.187 1.182 -0.565 1.00 0.00 O ATOM 530 CB LEU A 33 4.342 2.048 -0.875 1.00 0.00 C ATOM 531 CG LEU A 33 3.890 1.975 -2.338 1.00 0.00 C ATOM 532 CD1 LEU A 33 2.694 2.889 -2.625 1.00 0.00 C ATOM 533 CD2 LEU A 33 5.051 2.370 -3.254 1.00 0.00 C ATOM 0 H LEU A 33 2.809 -0.528 -0.860 1.00 0.00 H new ATOM 0 HA LEU A 33 3.944 1.346 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.317 3.089 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.380 1.721 -0.814 1.00 0.00 H new ATOM 0 HG LEU A 33 3.579 0.948 -2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.412 2.801 -3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.853 2.595 -1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.965 3.922 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.728 2.318 -4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.367 3.387 -3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.886 1.687 -3.098 1.00 0.00 H new ATOM 545 N ILE A 34 1.860 2.695 1.005 1.00 0.00 N ATOM 546 CA ILE A 34 0.557 3.327 1.034 1.00 0.00 C ATOM 547 C ILE A 34 0.714 4.789 0.624 1.00 0.00 C ATOM 548 O ILE A 34 1.316 5.599 1.319 1.00 0.00 O ATOM 549 CB ILE A 34 -0.055 3.223 2.430 1.00 0.00 C ATOM 550 CG1 ILE A 34 -0.334 1.762 2.787 1.00 0.00 C ATOM 551 CG2 ILE A 34 -1.339 4.049 2.508 1.00 0.00 C ATOM 552 CD1 ILE A 34 -0.957 1.623 4.177 1.00 0.00 C ATOM 0 H ILE A 34 2.553 3.063 1.657 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.113 2.822 0.338 1.00 0.00 H new ATOM 0 HB ILE A 34 0.658 3.621 3.152 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.004 1.328 2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.596 1.195 2.748 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.765 3.966 3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.113 5.094 2.295 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.056 3.677 1.776 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.139 0.570 4.391 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.276 2.032 4.923 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.901 2.168 4.209 1.00 0.00 H new ATOM 564 N ARG A 35 0.145 5.057 -0.563 1.00 0.00 N ATOM 565 CA ARG A 35 0.340 6.378 -1.124 1.00 0.00 C ATOM 566 C ARG A 35 -0.842 7.282 -0.773 1.00 0.00 C ATOM 567 O ARG A 35 -2.002 6.942 -0.966 1.00 0.00 O ATOM 568 CB ARG A 35 0.514 6.261 -2.637 1.00 0.00 C ATOM 569 CG ARG A 35 -0.710 5.637 -3.303 1.00 0.00 C ATOM 570 CD ARG A 35 -0.465 5.356 -4.785 1.00 0.00 C ATOM 571 NE ARG A 35 -1.674 4.840 -5.398 1.00 0.00 N ATOM 572 CZ ARG A 35 -2.715 5.676 -5.577 1.00 0.00 C ATOM 573 NH1 ARG A 35 -2.625 6.951 -5.207 1.00 0.00 N ATOM 574 NH2 ARG A 35 -3.838 5.226 -6.126 1.00 0.00 N ATOM 0 H ARG A 35 -0.419 4.411 -1.116 1.00 0.00 H new ATOM 0 HA ARG A 35 1.238 6.828 -0.701 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.693 7.250 -3.060 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.394 5.657 -2.856 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.967 4.708 -2.794 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.564 6.306 -3.196 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.153 6.270 -5.290 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.346 4.636 -4.898 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.735 3.864 -5.688 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.764 7.300 -4.785 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.417 7.579 -5.345 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.911 4.249 -6.411 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.628 5.857 -6.262 1.00 0.00 H new ATOM 588 N GLU A 36 -0.452 8.453 -0.238 1.00 0.00 N ATOM 589 CA GLU A 36 -1.475 9.398 0.169 1.00 0.00 C ATOM 590 C GLU A 36 -1.694 10.435 -0.935 1.00 0.00 C ATOM 591 O GLU A 36 -0.765 11.062 -1.428 1.00 0.00 O ATOM 592 CB GLU A 36 -1.054 10.088 1.466 1.00 0.00 C ATOM 593 CG GLU A 36 -2.109 11.085 1.949 1.00 0.00 C ATOM 594 CD GLU A 36 -1.644 11.745 3.248 1.00 0.00 C ATOM 595 OE1 GLU A 36 -0.750 12.589 3.189 1.00 0.00 O ATOM 596 OE2 GLU A 36 -2.182 11.411 4.302 1.00 0.00 O ATOM 0 H GLU A 36 0.513 8.746 -0.088 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.410 8.865 0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.883 9.337 2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.108 10.607 1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.281 11.844 1.186 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.058 10.574 2.110 1.00 0.00 H new ATOM 603 N SER A 37 -2.987 10.566 -1.279 1.00 0.00 N ATOM 604 CA SER A 37 -3.336 11.533 -2.299 1.00 0.00 C ATOM 605 C SER A 37 -2.923 12.933 -1.842 1.00 0.00 C ATOM 606 O SER A 37 -2.791 13.218 -0.658 1.00 0.00 O ATOM 607 CB SER A 37 -4.841 11.486 -2.563 1.00 0.00 C ATOM 608 OG SER A 37 -5.197 12.402 -3.567 1.00 0.00 O ATOM 0 H SER A 37 -3.763 10.037 -0.881 1.00 0.00 H new ATOM 0 HA SER A 37 -2.809 11.292 -3.222 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.132 10.479 -2.863 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.384 11.715 -1.646 1.00 0.00 H new ATOM 0 HG SER A 37 -6.056 12.140 -3.959 1.00 0.00 H new ATOM 614 N GLU A 38 -2.723 13.773 -2.871 1.00 0.00 N ATOM 615 CA GLU A 38 -2.309 15.137 -2.596 1.00 0.00 C ATOM 616 C GLU A 38 -3.077 15.692 -1.390 1.00 0.00 C ATOM 617 O GLU A 38 -2.662 15.552 -0.246 1.00 0.00 O ATOM 618 CB GLU A 38 -2.534 16.006 -3.835 1.00 0.00 C ATOM 619 CG GLU A 38 -2.099 17.451 -3.606 1.00 0.00 C ATOM 620 CD GLU A 38 -2.342 18.277 -4.871 1.00 0.00 C ATOM 621 OE1 GLU A 38 -3.500 18.436 -5.255 1.00 0.00 O ATOM 622 OE2 GLU A 38 -1.370 18.752 -5.456 1.00 0.00 O ATOM 0 H GLU A 38 -2.838 13.536 -3.856 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.246 15.148 -2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.979 15.589 -4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.589 15.984 -4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.653 17.878 -2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.043 17.483 -3.338 1.00 0.00 H new ATOM 629 N SER A 39 -4.212 16.335 -1.722 1.00 0.00 N ATOM 630 CA SER A 39 -4.997 16.919 -0.653 1.00 0.00 C ATOM 631 C SER A 39 -6.017 15.902 -0.133 1.00 0.00 C ATOM 632 O SER A 39 -6.205 15.732 1.065 1.00 0.00 O ATOM 633 CB SER A 39 -5.714 18.169 -1.163 1.00 0.00 C ATOM 634 OG SER A 39 -4.788 19.111 -1.641 1.00 0.00 O ATOM 0 H SER A 39 -4.579 16.453 -2.667 1.00 0.00 H new ATOM 0 HA SER A 39 -4.333 17.198 0.165 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.408 17.897 -1.959 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.306 18.608 -0.360 1.00 0.00 H new ATOM 0 HG SER A 39 -5.265 19.903 -1.965 1.00 0.00 H new ATOM 640 N ALA A 40 -6.652 15.236 -1.117 1.00 0.00 N ATOM 641 CA ALA A 40 -7.660 14.253 -0.763 1.00 0.00 C ATOM 642 C ALA A 40 -7.187 13.423 0.441 1.00 0.00 C ATOM 643 O ALA A 40 -6.360 12.528 0.309 1.00 0.00 O ATOM 644 CB ALA A 40 -7.906 13.330 -1.957 1.00 0.00 C ATOM 0 H ALA A 40 -6.487 15.361 -2.116 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.585 14.766 -0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.662 12.590 -1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.253 13.919 -2.806 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.978 12.822 -2.222 1.00 0.00 H new ATOM 650 N PRO A 41 -7.746 13.762 1.627 1.00 0.00 N ATOM 651 CA PRO A 41 -7.364 13.106 2.876 1.00 0.00 C ATOM 652 C PRO A 41 -7.973 11.709 3.092 1.00 0.00 C ATOM 653 O PRO A 41 -7.663 11.026 4.060 1.00 0.00 O ATOM 654 CB PRO A 41 -7.933 14.037 3.945 1.00 0.00 C ATOM 655 CG PRO A 41 -9.118 14.739 3.278 1.00 0.00 C ATOM 656 CD PRO A 41 -8.745 14.810 1.797 1.00 0.00 C ATOM 0 HA PRO A 41 -6.286 12.948 2.891 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.251 13.478 4.825 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.186 14.757 4.278 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.043 14.182 3.427 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.274 15.734 3.695 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.613 14.640 1.160 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.344 15.789 1.534 1.00 0.00 H new ATOM 664 N GLY A 42 -8.846 11.330 2.142 1.00 0.00 N ATOM 665 CA GLY A 42 -9.484 10.032 2.268 1.00 0.00 C ATOM 666 C GLY A 42 -9.071 9.101 1.124 1.00 0.00 C ATOM 667 O GLY A 42 -9.876 8.350 0.585 1.00 0.00 O ATOM 0 H GLY A 42 -9.109 11.879 1.323 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.214 9.582 3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.567 10.154 2.268 1.00 0.00 H new ATOM 671 N ASP A 43 -7.772 9.203 0.787 1.00 0.00 N ATOM 672 CA ASP A 43 -7.285 8.359 -0.288 1.00 0.00 C ATOM 673 C ASP A 43 -6.009 7.638 0.152 1.00 0.00 C ATOM 674 O ASP A 43 -4.958 8.238 0.341 1.00 0.00 O ATOM 675 CB ASP A 43 -7.006 9.208 -1.529 1.00 0.00 C ATOM 676 CG ASP A 43 -8.290 9.893 -1.997 1.00 0.00 C ATOM 677 OD1 ASP A 43 -9.353 9.577 -1.465 1.00 0.00 O ATOM 678 OD2 ASP A 43 -8.214 10.737 -2.889 1.00 0.00 O ATOM 0 H ASP A 43 -7.088 9.824 1.219 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.045 7.616 -0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.247 9.957 -1.304 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.608 8.580 -2.326 1.00 0.00 H new ATOM 683 N PHE A 44 -6.178 6.310 0.284 1.00 0.00 N ATOM 684 CA PHE A 44 -5.034 5.500 0.649 1.00 0.00 C ATOM 685 C PHE A 44 -5.160 4.121 -0.001 1.00 0.00 C ATOM 686 O PHE A 44 -6.083 3.363 0.270 1.00 0.00 O ATOM 687 CB PHE A 44 -4.970 5.351 2.169 1.00 0.00 C ATOM 688 CG PHE A 44 -4.820 6.681 2.846 1.00 0.00 C ATOM 689 CD1 PHE A 44 -3.520 7.292 2.967 1.00 0.00 C ATOM 690 CD2 PHE A 44 -5.973 7.356 3.384 1.00 0.00 C ATOM 691 CE1 PHE A 44 -3.375 8.566 3.620 1.00 0.00 C ATOM 692 CE2 PHE A 44 -5.831 8.630 4.037 1.00 0.00 C ATOM 693 CZ PHE A 44 -4.531 9.235 4.154 1.00 0.00 C ATOM 0 H PHE A 44 -7.055 5.807 0.149 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.121 5.983 0.300 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.875 4.860 2.526 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.132 4.708 2.438 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.651 6.791 2.566 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.950 6.903 3.297 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.399 9.020 3.709 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.699 9.131 4.439 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.423 10.192 4.643 1.00 0.00 H new ATOM 703 N SER A 45 -4.170 3.849 -0.869 1.00 0.00 N ATOM 704 CA SER A 45 -4.174 2.554 -1.523 1.00 0.00 C ATOM 705 C SER A 45 -2.853 1.833 -1.237 1.00 0.00 C ATOM 706 O SER A 45 -1.768 2.370 -1.425 1.00 0.00 O ATOM 707 CB SER A 45 -4.379 2.728 -3.028 1.00 0.00 C ATOM 708 OG SER A 45 -3.356 3.515 -3.583 1.00 0.00 O ATOM 0 H SER A 45 -3.404 4.475 -1.116 1.00 0.00 H new ATOM 0 HA SER A 45 -4.995 1.952 -1.133 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.396 1.752 -3.512 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.346 3.195 -3.216 1.00 0.00 H new ATOM 0 HG SER A 45 -2.691 2.934 -4.009 1.00 0.00 H new ATOM 714 N LEU A 46 -3.031 0.590 -0.757 1.00 0.00 N ATOM 715 CA LEU A 46 -1.863 -0.179 -0.375 1.00 0.00 C ATOM 716 C LEU A 46 -1.412 -1.050 -1.551 1.00 0.00 C ATOM 717 O LEU A 46 -2.143 -1.900 -2.043 1.00 0.00 O ATOM 718 CB LEU A 46 -2.210 -1.038 0.844 1.00 0.00 C ATOM 719 CG LEU A 46 -0.981 -1.603 1.560 1.00 0.00 C ATOM 720 CD1 LEU A 46 -1.376 -2.131 2.941 1.00 0.00 C ATOM 721 CD2 LEU A 46 -0.310 -2.710 0.748 1.00 0.00 C ATOM 0 H LEU A 46 -3.930 0.125 -0.633 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.042 0.488 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.788 -0.440 1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.848 -1.863 0.528 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.261 -0.792 1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.495 -2.531 3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.795 -1.319 3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.120 -2.920 2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.558 -3.084 1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.017 -3.524 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.009 -2.312 -0.216 1.00 0.00 H new ATOM 733 N SER A 47 -0.161 -0.776 -1.961 1.00 0.00 N ATOM 734 CA SER A 47 0.388 -1.546 -3.061 1.00 0.00 C ATOM 735 C SER A 47 1.295 -2.649 -2.511 1.00 0.00 C ATOM 736 O SER A 47 1.972 -2.483 -1.503 1.00 0.00 O ATOM 737 CB SER A 47 1.175 -0.628 -3.996 1.00 0.00 C ATOM 738 OG SER A 47 0.352 0.398 -4.491 1.00 0.00 O ATOM 0 H SER A 47 0.452 -0.064 -1.564 1.00 0.00 H new ATOM 0 HA SER A 47 -0.425 -2.004 -3.625 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.022 -0.197 -3.463 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.582 -1.207 -4.825 1.00 0.00 H new ATOM 0 HG SER A 47 0.873 0.977 -5.086 1.00 0.00 H new ATOM 744 N VAL A 48 1.251 -3.785 -3.231 1.00 0.00 N ATOM 745 CA VAL A 48 2.037 -4.912 -2.767 1.00 0.00 C ATOM 746 C VAL A 48 2.577 -5.711 -3.953 1.00 0.00 C ATOM 747 O VAL A 48 1.890 -5.958 -4.936 1.00 0.00 O ATOM 748 CB VAL A 48 1.170 -5.824 -1.900 1.00 0.00 C ATOM 749 CG1 VAL A 48 1.965 -7.049 -1.444 1.00 0.00 C ATOM 750 CG2 VAL A 48 0.598 -5.062 -0.704 1.00 0.00 C ATOM 0 H VAL A 48 0.711 -3.933 -4.084 1.00 0.00 H new ATOM 0 HA VAL A 48 2.875 -4.533 -2.182 1.00 0.00 H new ATOM 0 HB VAL A 48 0.331 -6.170 -2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.330 -7.686 -0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.303 -7.609 -2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.829 -6.726 -0.863 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.015 -5.734 -0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.415 -4.675 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.014 -4.233 -1.060 1.00 0.00 H new ATOM 760 N LYS A 49 3.851 -6.109 -3.779 1.00 0.00 N ATOM 761 CA LYS A 49 4.420 -7.004 -4.768 1.00 0.00 C ATOM 762 C LYS A 49 3.949 -8.428 -4.470 1.00 0.00 C ATOM 763 O LYS A 49 4.398 -9.067 -3.526 1.00 0.00 O ATOM 764 CB LYS A 49 5.948 -6.951 -4.694 1.00 0.00 C ATOM 765 CG LYS A 49 6.604 -7.959 -5.641 1.00 0.00 C ATOM 766 CD LYS A 49 6.909 -7.372 -7.021 1.00 0.00 C ATOM 767 CE LYS A 49 5.660 -6.852 -7.728 1.00 0.00 C ATOM 768 NZ LYS A 49 4.627 -7.873 -7.862 1.00 0.00 N ATOM 0 H LYS A 49 4.463 -5.839 -3.009 1.00 0.00 H new ATOM 0 HA LYS A 49 4.099 -6.703 -5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.288 -5.946 -4.943 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.269 -7.152 -3.672 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.530 -8.320 -5.193 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.948 -8.822 -5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.627 -6.559 -6.915 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.381 -8.135 -7.640 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.258 -6.005 -7.172 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.933 -6.484 -8.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.689 -7.432 -7.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.707 -8.327 -8.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.747 -8.589 -7.117 1.00 0.00 H new ATOM 782 N PHE A 50 3.024 -8.881 -5.333 1.00 0.00 N ATOM 783 CA PHE A 50 2.539 -10.232 -5.124 1.00 0.00 C ATOM 784 C PHE A 50 3.562 -11.221 -5.693 1.00 0.00 C ATOM 785 O PHE A 50 4.613 -11.466 -5.112 1.00 0.00 O ATOM 786 CB PHE A 50 1.143 -10.388 -5.737 1.00 0.00 C ATOM 787 CG PHE A 50 0.609 -11.777 -5.536 1.00 0.00 C ATOM 788 CD1 PHE A 50 0.265 -12.236 -4.215 1.00 0.00 C ATOM 789 CD2 PHE A 50 0.437 -12.658 -6.662 1.00 0.00 C ATOM 790 CE1 PHE A 50 -0.246 -13.567 -4.020 1.00 0.00 C ATOM 791 CE2 PHE A 50 -0.074 -13.990 -6.469 1.00 0.00 C ATOM 792 CZ PHE A 50 -0.415 -14.444 -5.147 1.00 0.00 C ATOM 0 H PHE A 50 2.629 -8.369 -6.121 1.00 0.00 H new ATOM 0 HA PHE A 50 2.433 -10.446 -4.060 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.463 -9.666 -5.285 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.185 -10.163 -6.803 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.391 -11.579 -3.367 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.692 -12.318 -7.655 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.502 -13.907 -3.028 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.201 -14.648 -7.316 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.798 -15.443 -5.001 1.00 0.00 H new ATOM 802 N GLY A 51 3.189 -11.763 -6.861 1.00 0.00 N ATOM 803 CA GLY A 51 4.103 -12.664 -7.534 1.00 0.00 C ATOM 804 C GLY A 51 5.074 -11.860 -8.397 1.00 0.00 C ATOM 805 O GLY A 51 6.265 -11.763 -8.128 1.00 0.00 O ATOM 0 H GLY A 51 2.300 -11.597 -7.333 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.654 -13.253 -6.801 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.546 -13.367 -8.154 1.00 0.00 H new ATOM 809 N ASN A 52 4.461 -11.294 -9.449 1.00 0.00 N ATOM 810 CA ASN A 52 5.229 -10.464 -10.361 1.00 0.00 C ATOM 811 C ASN A 52 4.545 -9.107 -10.626 1.00 0.00 C ATOM 812 O ASN A 52 5.194 -8.135 -10.994 1.00 0.00 O ATOM 813 CB ASN A 52 5.398 -11.208 -11.684 1.00 0.00 C ATOM 814 CG ASN A 52 6.291 -10.400 -12.628 1.00 0.00 C ATOM 815 OD1 ASN A 52 6.019 -9.251 -12.951 1.00 0.00 O ATOM 816 ND2 ASN A 52 7.372 -11.085 -13.041 1.00 0.00 N ATOM 0 H ASN A 52 3.472 -11.396 -9.676 1.00 0.00 H new ATOM 0 HA ASN A 52 6.196 -10.263 -9.900 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.837 -12.189 -11.505 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.424 -11.374 -12.144 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.042 -10.648 -13.674 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.522 -12.042 -12.722 1.00 0.00 H new ATOM 823 N ASP A 53 3.210 -9.099 -10.436 1.00 0.00 N ATOM 824 CA ASP A 53 2.468 -7.899 -10.767 1.00 0.00 C ATOM 825 C ASP A 53 2.175 -7.086 -9.505 1.00 0.00 C ATOM 826 O ASP A 53 2.164 -7.593 -8.389 1.00 0.00 O ATOM 827 CB ASP A 53 1.161 -8.277 -11.465 1.00 0.00 C ATOM 828 CG ASP A 53 0.298 -9.125 -10.527 1.00 0.00 C ATOM 829 OD1 ASP A 53 0.811 -9.573 -9.503 1.00 0.00 O ATOM 830 OD2 ASP A 53 -0.877 -9.325 -10.830 1.00 0.00 O ATOM 0 H ASP A 53 2.659 -9.876 -10.072 1.00 0.00 H new ATOM 0 HA ASP A 53 3.069 -7.287 -11.439 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.620 -7.377 -11.757 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.373 -8.831 -12.379 1.00 0.00 H new ATOM 835 N VAL A 54 1.943 -5.790 -9.776 1.00 0.00 N ATOM 836 CA VAL A 54 1.619 -4.894 -8.684 1.00 0.00 C ATOM 837 C VAL A 54 0.118 -4.953 -8.397 1.00 0.00 C ATOM 838 O VAL A 54 -0.712 -4.561 -9.208 1.00 0.00 O ATOM 839 CB VAL A 54 2.024 -3.467 -9.058 1.00 0.00 C ATOM 840 CG1 VAL A 54 1.589 -2.477 -7.977 1.00 0.00 C ATOM 841 CG2 VAL A 54 3.529 -3.378 -9.305 1.00 0.00 C ATOM 0 H VAL A 54 1.974 -5.366 -10.703 1.00 0.00 H new ATOM 0 HA VAL A 54 2.163 -5.198 -7.790 1.00 0.00 H new ATOM 0 HB VAL A 54 1.513 -3.201 -9.983 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.888 -1.469 -8.265 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.506 -2.516 -7.863 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.063 -2.740 -7.031 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.794 -2.354 -9.570 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.064 -3.670 -8.401 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.804 -4.046 -10.121 1.00 0.00 H new ATOM 851 N GLN A 55 -0.164 -5.462 -7.185 1.00 0.00 N ATOM 852 CA GLN A 55 -1.554 -5.527 -6.780 1.00 0.00 C ATOM 853 C GLN A 55 -1.932 -4.237 -6.055 1.00 0.00 C ATOM 854 O GLN A 55 -1.089 -3.496 -5.565 1.00 0.00 O ATOM 855 CB GLN A 55 -1.781 -6.743 -5.886 1.00 0.00 C ATOM 856 CG GLN A 55 -3.224 -6.832 -5.384 1.00 0.00 C ATOM 857 CD GLN A 55 -3.450 -8.127 -4.593 1.00 0.00 C ATOM 858 OE1 GLN A 55 -2.344 -8.589 -3.979 1.00 0.00 O flip ATOM 859 NE2 GLN A 55 -4.549 -8.666 -4.548 1.00 0.00 N flip ATOM 0 H GLN A 55 0.517 -5.813 -6.512 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.188 -5.632 -7.660 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.534 -7.649 -6.439 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.104 -6.696 -5.033 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.447 -5.972 -4.753 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.910 -6.793 -6.230 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.340 -8.253 -5.042 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.673 -9.528 -4.017 1.00 0.00 H new ATOM 868 N HIS A 56 -3.257 -4.012 -6.050 1.00 0.00 N ATOM 869 CA HIS A 56 -3.726 -2.749 -5.512 1.00 0.00 C ATOM 870 C HIS A 56 -4.853 -2.975 -4.503 1.00 0.00 C ATOM 871 O HIS A 56 -5.813 -3.695 -4.749 1.00 0.00 O ATOM 872 CB HIS A 56 -4.215 -1.857 -6.654 1.00 0.00 C ATOM 873 CG HIS A 56 -5.378 -2.521 -7.352 1.00 0.00 C ATOM 874 ND1 HIS A 56 -6.670 -2.356 -6.991 1.00 0.00 N ATOM 875 CD2 HIS A 56 -5.333 -3.392 -8.453 1.00 0.00 C ATOM 876 CE1 HIS A 56 -7.388 -3.104 -7.848 1.00 0.00 C ATOM 877 NE2 HIS A 56 -6.608 -3.741 -8.741 1.00 0.00 N ATOM 0 H HIS A 56 -3.974 -4.651 -6.392 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.900 -2.259 -4.996 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -4.518 -0.885 -6.265 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -3.406 -1.679 -7.362 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -4.446 -3.722 -8.973 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -8.465 -3.184 -7.822 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -6.917 -4.364 -9.487 1.00 0.00 H new ATOM 885 N PHE A 57 -4.661 -2.296 -3.359 1.00 0.00 N ATOM 886 CA PHE A 57 -5.690 -2.340 -2.339 1.00 0.00 C ATOM 887 C PHE A 57 -6.123 -0.913 -2.002 1.00 0.00 C ATOM 888 O PHE A 57 -5.304 -0.022 -1.806 1.00 0.00 O ATOM 889 CB PHE A 57 -5.154 -3.025 -1.082 1.00 0.00 C ATOM 890 CG PHE A 57 -4.745 -4.442 -1.357 1.00 0.00 C ATOM 891 CD1 PHE A 57 -5.725 -5.497 -1.315 1.00 0.00 C ATOM 892 CD2 PHE A 57 -3.373 -4.759 -1.659 1.00 0.00 C ATOM 893 CE1 PHE A 57 -5.337 -6.859 -1.570 1.00 0.00 C ATOM 894 CE2 PHE A 57 -2.982 -6.120 -1.915 1.00 0.00 C ATOM 895 CZ PHE A 57 -3.964 -7.170 -1.869 1.00 0.00 C ATOM 0 H PHE A 57 -3.838 -1.737 -3.134 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.544 -2.906 -2.711 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -4.300 -2.467 -0.699 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.918 -3.011 -0.305 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.756 -5.265 -1.091 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.634 -3.972 -1.693 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.075 -7.647 -1.537 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.952 -6.353 -2.141 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.671 -8.192 -2.059 1.00 0.00 H new ATOM 905 N LYS A 58 -7.458 -0.753 -1.955 1.00 0.00 N ATOM 906 CA LYS A 58 -7.959 0.575 -1.660 1.00 0.00 C ATOM 907 C LYS A 58 -8.457 0.644 -0.215 1.00 0.00 C ATOM 908 O LYS A 58 -9.499 0.106 0.139 1.00 0.00 O ATOM 909 CB LYS A 58 -9.091 0.933 -2.624 1.00 0.00 C ATOM 910 CG LYS A 58 -8.594 0.994 -4.070 1.00 0.00 C ATOM 911 CD LYS A 58 -9.652 1.524 -5.039 1.00 0.00 C ATOM 912 CE LYS A 58 -10.827 0.560 -5.223 1.00 0.00 C ATOM 913 NZ LYS A 58 -11.690 0.481 -4.051 1.00 0.00 N ATOM 0 H LYS A 58 -8.157 -1.480 -2.108 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.148 1.292 -1.785 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.888 0.194 -2.542 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.519 1.895 -2.344 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.711 1.631 -4.119 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.286 -0.003 -4.386 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.027 2.480 -4.673 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.189 1.713 -6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.419 0.877 -6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.442 -0.434 -5.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.588 0.026 -4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.220 -0.078 -3.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.879 1.439 -3.693 1.00 0.00 H new ATOM 927 N VAL A 59 -7.644 1.362 0.580 1.00 0.00 N ATOM 928 CA VAL A 59 -8.069 1.616 1.941 1.00 0.00 C ATOM 929 C VAL A 59 -9.132 2.715 1.922 1.00 0.00 C ATOM 930 O VAL A 59 -8.848 3.897 2.077 1.00 0.00 O ATOM 931 CB VAL A 59 -6.871 2.052 2.784 1.00 0.00 C ATOM 932 CG1 VAL A 59 -7.295 2.342 4.224 1.00 0.00 C ATOM 933 CG2 VAL A 59 -5.767 0.994 2.744 1.00 0.00 C ATOM 0 H VAL A 59 -6.740 1.752 0.312 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.487 0.710 2.379 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.474 2.973 2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.425 2.650 4.804 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.037 3.140 4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.725 1.443 4.665 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.924 1.325 3.351 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.151 0.053 3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.439 0.849 1.715 1.00 0.00 H new ATOM 943 N LEU A 60 -10.369 2.236 1.703 1.00 0.00 N ATOM 944 CA LEU A 60 -11.455 3.173 1.519 1.00 0.00 C ATOM 945 C LEU A 60 -11.785 3.881 2.832 1.00 0.00 C ATOM 946 O LEU A 60 -11.437 3.435 3.918 1.00 0.00 O ATOM 947 CB LEU A 60 -12.673 2.417 0.998 1.00 0.00 C ATOM 948 CG LEU A 60 -12.348 1.649 -0.285 1.00 0.00 C ATOM 949 CD1 LEU A 60 -13.577 0.900 -0.800 1.00 0.00 C ATOM 950 CD2 LEU A 60 -11.793 2.584 -1.362 1.00 0.00 C ATOM 0 H LEU A 60 -10.621 1.249 1.653 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.160 3.934 0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -13.025 1.722 1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.485 3.119 0.808 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.578 0.915 -0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.319 0.362 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.914 0.191 -0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.375 1.612 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.571 2.011 -2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.532 3.351 -1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.880 3.057 -0.999 1.00 0.00 H new ATOM 962 N ARG A 61 -12.477 5.018 2.641 1.00 0.00 N ATOM 963 CA ARG A 61 -12.849 5.807 3.798 1.00 0.00 C ATOM 964 C ARG A 61 -14.343 6.116 3.757 1.00 0.00 C ATOM 965 O ARG A 61 -14.990 6.096 2.716 1.00 0.00 O ATOM 966 CB ARG A 61 -12.038 7.101 3.829 1.00 0.00 C ATOM 967 CG ARG A 61 -12.428 8.020 4.989 1.00 0.00 C ATOM 968 CD ARG A 61 -13.483 9.050 4.579 1.00 0.00 C ATOM 969 NE ARG A 61 -13.834 9.881 5.716 1.00 0.00 N ATOM 970 CZ ARG A 61 -14.972 10.599 5.666 1.00 0.00 C ATOM 971 NH1 ARG A 61 -15.756 10.542 4.592 1.00 0.00 N ATOM 972 NH2 ARG A 61 -15.315 11.368 6.694 1.00 0.00 N ATOM 0 H ARG A 61 -12.772 5.387 1.737 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.634 5.239 4.703 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -10.978 6.858 3.905 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.176 7.633 2.888 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.810 7.419 5.814 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.541 8.537 5.355 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.101 9.671 3.768 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.371 8.543 4.201 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.230 9.920 6.537 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.496 9.952 3.801 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -16.617 11.088 4.560 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.717 11.414 7.519 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.177 11.913 6.658 1.00 0.00 H new ATOM 986 N ASP A 62 -14.832 6.389 4.976 1.00 0.00 N ATOM 987 CA ASP A 62 -16.242 6.699 5.113 1.00 0.00 C ATOM 988 C ASP A 62 -16.567 6.952 6.586 1.00 0.00 C ATOM 989 O ASP A 62 -16.074 6.275 7.480 1.00 0.00 O ATOM 990 CB ASP A 62 -17.082 5.540 4.576 1.00 0.00 C ATOM 991 CG ASP A 62 -18.569 5.881 4.691 1.00 0.00 C ATOM 992 OD1 ASP A 62 -18.894 7.062 4.802 1.00 0.00 O ATOM 993 OD2 ASP A 62 -19.385 4.960 4.674 1.00 0.00 O ATOM 0 H ASP A 62 -14.291 6.400 5.840 1.00 0.00 H new ATOM 0 HA ASP A 62 -16.476 7.595 4.538 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -16.824 5.343 3.535 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -16.864 4.631 5.136 1.00 0.00 H new ATOM 998 N GLY A 63 -17.427 7.970 6.775 1.00 0.00 N ATOM 999 CA GLY A 63 -17.818 8.283 8.138 1.00 0.00 C ATOM 1000 C GLY A 63 -18.782 7.231 8.708 1.00 0.00 C ATOM 1001 O GLY A 63 -19.686 7.542 9.475 1.00 0.00 O ATOM 0 H GLY A 63 -17.837 8.551 6.044 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -16.930 8.342 8.767 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.293 9.264 8.164 1.00 0.00 H new ATOM 1005 N ALA A 64 -18.533 5.978 8.285 1.00 0.00 N ATOM 1006 CA ALA A 64 -19.377 4.895 8.747 1.00 0.00 C ATOM 1007 C ALA A 64 -18.530 3.639 8.969 1.00 0.00 C ATOM 1008 O ALA A 64 -18.886 2.539 8.561 1.00 0.00 O ATOM 1009 CB ALA A 64 -20.438 4.614 7.688 1.00 0.00 C ATOM 0 H ALA A 64 -17.782 5.710 7.649 1.00 0.00 H new ATOM 0 HA ALA A 64 -19.854 5.173 9.687 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -21.081 3.800 8.024 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -21.039 5.509 7.529 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.953 4.332 6.753 1.00 0.00 H new ATOM 1015 N GLY A 65 -17.382 3.884 9.622 1.00 0.00 N ATOM 1016 CA GLY A 65 -16.440 2.790 9.800 1.00 0.00 C ATOM 1017 C GLY A 65 -14.968 3.222 9.626 1.00 0.00 C ATOM 1018 O GLY A 65 -14.055 2.477 9.965 1.00 0.00 O ATOM 0 H GLY A 65 -17.101 4.783 10.014 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -16.572 2.363 10.794 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.668 2.002 9.082 1.00 0.00 H new ATOM 1022 N LYS A 66 -14.784 4.448 9.090 1.00 0.00 N ATOM 1023 CA LYS A 66 -13.440 4.970 8.928 1.00 0.00 C ATOM 1024 C LYS A 66 -12.719 4.221 7.803 1.00 0.00 C ATOM 1025 O LYS A 66 -13.304 3.911 6.772 1.00 0.00 O ATOM 1026 CB LYS A 66 -12.685 4.904 10.256 1.00 0.00 C ATOM 1027 CG LYS A 66 -13.443 5.645 11.361 1.00 0.00 C ATOM 1028 CD LYS A 66 -12.656 5.720 12.671 1.00 0.00 C ATOM 1029 CE LYS A 66 -11.615 6.841 12.670 1.00 0.00 C ATOM 1030 NZ LYS A 66 -10.526 6.615 11.727 1.00 0.00 N ATOM 0 H LYS A 66 -15.532 5.066 8.776 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.485 6.020 8.639 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.542 3.863 10.545 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.693 5.340 10.136 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -13.674 6.655 11.023 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.394 5.144 11.542 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -13.349 5.874 13.498 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.157 4.767 12.846 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.106 7.784 12.428 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.202 6.945 13.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.619 6.845 12.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.523 5.617 11.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.658 7.221 10.892 1.00 0.00 H new ATOM 1044 N TYR A 67 -11.420 3.961 8.048 1.00 0.00 N ATOM 1045 CA TYR A 67 -10.685 3.336 6.965 1.00 0.00 C ATOM 1046 C TYR A 67 -10.817 1.815 7.056 1.00 0.00 C ATOM 1047 O TYR A 67 -10.605 1.201 8.095 1.00 0.00 O ATOM 1048 CB TYR A 67 -9.215 3.758 6.989 1.00 0.00 C ATOM 1049 CG TYR A 67 -9.059 5.249 6.935 1.00 0.00 C ATOM 1050 CD1 TYR A 67 -9.485 5.989 5.776 1.00 0.00 C ATOM 1051 CD2 TYR A 67 -8.473 5.948 8.049 1.00 0.00 C ATOM 1052 CE1 TYR A 67 -9.323 7.418 5.728 1.00 0.00 C ATOM 1053 CE2 TYR A 67 -8.312 7.378 8.005 1.00 0.00 C ATOM 1054 CZ TYR A 67 -8.737 8.112 6.845 1.00 0.00 C ATOM 1055 OH TYR A 67 -8.583 9.483 6.801 1.00 0.00 O ATOM 0 H TYR A 67 -10.907 4.157 8.908 1.00 0.00 H new ATOM 0 HA TYR A 67 -11.109 3.668 6.017 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.743 3.376 7.894 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -8.694 3.308 6.144 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -9.928 5.470 4.939 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.153 5.397 8.921 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.641 7.969 4.855 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.872 7.899 8.843 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.351 9.757 5.889 1.00 0.00 H new ATOM 1065 N PHE A 68 -11.194 1.263 5.887 1.00 0.00 N ATOM 1066 CA PHE A 68 -11.379 -0.174 5.813 1.00 0.00 C ATOM 1067 C PHE A 68 -11.289 -0.618 4.350 1.00 0.00 C ATOM 1068 O PHE A 68 -11.864 -0.004 3.460 1.00 0.00 O ATOM 1069 CB PHE A 68 -12.742 -0.550 6.396 1.00 0.00 C ATOM 1070 CG PHE A 68 -13.857 0.107 5.638 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -14.417 -0.530 4.473 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -14.378 1.379 6.069 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -15.487 0.098 3.746 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -15.448 2.010 5.345 1.00 0.00 C ATOM 1075 CZ PHE A 68 -16.002 1.369 4.182 1.00 0.00 C ATOM 0 H PHE A 68 -11.367 1.775 5.022 1.00 0.00 H new ATOM 0 HA PHE A 68 -10.602 -0.675 6.390 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -12.867 -1.632 6.366 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -12.787 -0.253 7.444 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -14.031 -1.484 4.144 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -13.962 1.862 6.941 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.904 -0.384 2.874 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -15.835 2.963 5.673 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.805 1.842 3.636 1.00 0.00 H new ATOM 1085 N LEU A 69 -10.526 -1.711 4.160 1.00 0.00 N ATOM 1086 CA LEU A 69 -10.384 -2.177 2.793 1.00 0.00 C ATOM 1087 C LEU A 69 -11.723 -2.731 2.308 1.00 0.00 C ATOM 1088 O LEU A 69 -12.246 -2.348 1.269 1.00 0.00 O ATOM 1089 CB LEU A 69 -9.307 -3.263 2.681 1.00 0.00 C ATOM 1090 CG LEU A 69 -7.955 -2.837 3.253 1.00 0.00 C ATOM 1091 CD1 LEU A 69 -7.878 -3.202 4.730 1.00 0.00 C ATOM 1092 CD2 LEU A 69 -6.806 -3.502 2.498 1.00 0.00 C ATOM 0 H LEU A 69 -10.038 -2.244 4.880 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.078 -1.334 2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.648 -4.158 3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.181 -3.533 1.632 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.863 -1.757 3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.912 -2.895 5.131 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.674 -2.692 5.273 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.993 -4.280 4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.856 -3.181 2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.894 -4.585 2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.846 -3.215 1.447 1.00 0.00 H new ATOM 1104 N TRP A 70 -12.234 -3.659 3.139 1.00 0.00 N ATOM 1105 CA TRP A 70 -13.481 -4.305 2.771 1.00 0.00 C ATOM 1106 C TRP A 70 -14.422 -4.384 3.978 1.00 0.00 C ATOM 1107 O TRP A 70 -15.624 -4.174 3.870 1.00 0.00 O ATOM 1108 CB TRP A 70 -13.196 -5.721 2.266 1.00 0.00 C ATOM 1109 CG TRP A 70 -12.313 -5.662 1.041 1.00 0.00 C ATOM 1110 CD1 TRP A 70 -12.393 -4.721 0.008 1.00 0.00 C ATOM 1111 CD2 TRP A 70 -11.233 -6.556 0.706 1.00 0.00 C ATOM 1112 NE1 TRP A 70 -11.444 -4.975 -0.928 1.00 0.00 N ATOM 1113 CE2 TRP A 70 -10.695 -6.087 -0.566 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -10.674 -7.689 1.344 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 -9.609 -6.764 -1.172 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -9.567 -8.382 0.731 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -9.034 -7.920 -0.528 1.00 0.00 C ATOM 0 H TRP A 70 -11.820 -3.958 4.022 1.00 0.00 H new ATOM 0 HA TRP A 70 -13.957 -3.718 1.986 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -12.710 -6.304 3.048 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -14.132 -6.226 2.027 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -13.106 -3.911 -0.037 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -11.301 -4.427 -1.777 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -11.075 -8.033 2.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -9.212 -6.416 -2.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -9.137 -9.247 1.214 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.206 -8.439 -0.988 1.00 0.00 H new ATOM 1128 N VAL A 71 -13.799 -4.715 5.124 1.00 0.00 N ATOM 1129 CA VAL A 71 -14.619 -4.962 6.295 1.00 0.00 C ATOM 1130 C VAL A 71 -13.984 -4.333 7.538 1.00 0.00 C ATOM 1131 O VAL A 71 -14.347 -3.249 7.976 1.00 0.00 O ATOM 1132 CB VAL A 71 -14.774 -6.473 6.491 1.00 0.00 C ATOM 1133 CG1 VAL A 71 -15.492 -6.792 7.803 1.00 0.00 C ATOM 1134 CG2 VAL A 71 -15.502 -7.101 5.303 1.00 0.00 C ATOM 0 H VAL A 71 -12.791 -4.810 5.251 1.00 0.00 H new ATOM 0 HA VAL A 71 -15.600 -4.510 6.147 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.776 -6.907 6.547 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -15.586 -7.872 7.913 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.918 -6.391 8.639 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -16.484 -6.340 7.794 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -15.601 -8.175 5.463 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -16.492 -6.656 5.206 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -14.933 -6.921 4.391 1.00 0.00 H new ATOM 1144 N VAL A 72 -13.037 -5.116 8.086 1.00 0.00 N ATOM 1145 CA VAL A 72 -12.474 -4.745 9.370 1.00 0.00 C ATOM 1146 C VAL A 72 -12.093 -3.263 9.388 1.00 0.00 C ATOM 1147 O VAL A 72 -11.485 -2.735 8.464 1.00 0.00 O ATOM 1148 CB VAL A 72 -11.266 -5.631 9.662 1.00 0.00 C ATOM 1149 CG1 VAL A 72 -11.684 -7.103 9.637 1.00 0.00 C ATOM 1150 CG2 VAL A 72 -10.141 -5.366 8.661 1.00 0.00 C ATOM 0 H VAL A 72 -12.667 -5.971 7.672 1.00 0.00 H new ATOM 0 HA VAL A 72 -13.220 -4.896 10.150 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.887 -5.391 10.656 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.818 -7.731 9.846 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -12.449 -7.277 10.394 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.083 -7.351 8.654 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.291 -6.009 8.890 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.495 -5.577 7.652 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.834 -4.322 8.727 1.00 0.00 H new ATOM 1160 N LYS A 73 -12.509 -2.638 10.505 1.00 0.00 N ATOM 1161 CA LYS A 73 -12.254 -1.218 10.652 1.00 0.00 C ATOM 1162 C LYS A 73 -10.958 -0.982 11.427 1.00 0.00 C ATOM 1163 O LYS A 73 -10.467 -1.823 12.170 1.00 0.00 O ATOM 1164 CB LYS A 73 -13.410 -0.550 11.393 1.00 0.00 C ATOM 1165 CG LYS A 73 -14.657 -0.443 10.517 1.00 0.00 C ATOM 1166 CD LYS A 73 -15.862 0.118 11.270 1.00 0.00 C ATOM 1167 CE LYS A 73 -16.488 -0.913 12.207 1.00 0.00 C ATOM 1168 NZ LYS A 73 -15.708 -1.133 13.419 1.00 0.00 N ATOM 0 H LYS A 73 -13.001 -3.081 11.281 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.159 -0.785 9.656 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.644 -1.121 12.291 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.107 0.445 11.718 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.440 0.195 9.660 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.906 -1.429 10.125 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.554 0.990 11.846 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -16.610 0.457 10.554 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.490 -0.584 12.482 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.597 -1.859 11.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.350 -1.247 14.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.132 -1.992 13.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.084 -0.317 13.583 1.00 0.00 H new ATOM 1182 N PHE A 74 -10.462 0.242 11.181 1.00 0.00 N ATOM 1183 CA PHE A 74 -9.248 0.692 11.846 1.00 0.00 C ATOM 1184 C PHE A 74 -9.193 2.217 11.813 1.00 0.00 C ATOM 1185 O PHE A 74 -9.538 2.872 10.834 1.00 0.00 O ATOM 1186 CB PHE A 74 -7.957 0.111 11.238 1.00 0.00 C ATOM 1187 CG PHE A 74 -7.987 0.042 9.737 1.00 0.00 C ATOM 1188 CD1 PHE A 74 -7.655 1.194 8.941 1.00 0.00 C ATOM 1189 CD2 PHE A 74 -8.381 -1.179 9.084 1.00 0.00 C ATOM 1190 CE1 PHE A 74 -7.734 1.127 7.507 1.00 0.00 C ATOM 1191 CE2 PHE A 74 -8.479 -1.243 7.656 1.00 0.00 C ATOM 1192 CZ PHE A 74 -8.161 -0.087 6.865 1.00 0.00 C ATOM 0 H PHE A 74 -10.878 0.917 10.540 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.295 0.325 12.871 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.110 0.721 11.550 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.793 -0.890 11.638 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.346 2.110 9.422 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.605 -2.054 9.676 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.472 1.989 6.911 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.791 -2.158 7.175 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.242 -0.129 5.789 1.00 0.00 H new ATOM 1202 N ASN A 75 -8.732 2.713 12.974 1.00 0.00 N ATOM 1203 CA ASN A 75 -8.541 4.144 13.116 1.00 0.00 C ATOM 1204 C ASN A 75 -7.207 4.622 12.503 1.00 0.00 C ATOM 1205 O ASN A 75 -7.020 5.810 12.269 1.00 0.00 O ATOM 1206 CB ASN A 75 -8.564 4.499 14.605 1.00 0.00 C ATOM 1207 CG ASN A 75 -9.773 3.871 15.308 1.00 0.00 C ATOM 1208 OD1 ASN A 75 -10.834 3.694 14.500 1.00 0.00 O flip ATOM 1209 ND2 ASN A 75 -9.738 3.564 16.493 1.00 0.00 N flip ATOM 0 H ASN A 75 -8.495 2.156 13.795 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.347 4.644 12.579 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.645 4.153 15.078 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.594 5.582 14.723 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.893 3.732 17.038 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.554 3.141 16.934 1.00 0.00 H new ATOM 1216 N SER A 76 -6.292 3.657 12.268 1.00 0.00 N ATOM 1217 CA SER A 76 -4.989 4.068 11.786 1.00 0.00 C ATOM 1218 C SER A 76 -4.417 3.001 10.854 1.00 0.00 C ATOM 1219 O SER A 76 -4.460 1.807 11.127 1.00 0.00 O ATOM 1220 CB SER A 76 -4.049 4.292 12.971 1.00 0.00 C ATOM 1221 OG SER A 76 -2.787 4.723 12.529 1.00 0.00 O ATOM 0 H SER A 76 -6.430 2.655 12.398 1.00 0.00 H new ATOM 0 HA SER A 76 -5.089 5.001 11.231 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.476 5.034 13.646 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.945 3.367 13.539 1.00 0.00 H new ATOM 0 HG SER A 76 -2.271 5.059 13.291 1.00 0.00 H new ATOM 1227 N LEU A 77 -3.883 3.521 9.735 1.00 0.00 N ATOM 1228 CA LEU A 77 -3.301 2.613 8.765 1.00 0.00 C ATOM 1229 C LEU A 77 -2.396 1.596 9.466 1.00 0.00 C ATOM 1230 O LEU A 77 -2.412 0.408 9.169 1.00 0.00 O ATOM 1231 CB LEU A 77 -2.493 3.413 7.746 1.00 0.00 C ATOM 1232 CG LEU A 77 -3.358 4.434 7.007 1.00 0.00 C ATOM 1233 CD1 LEU A 77 -2.495 5.318 6.105 1.00 0.00 C ATOM 1234 CD2 LEU A 77 -4.449 3.736 6.197 1.00 0.00 C ATOM 0 H LEU A 77 -3.847 4.512 9.498 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.099 2.074 8.255 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.677 3.928 8.253 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.041 2.731 7.026 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.842 5.071 7.748 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.129 6.038 5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.761 5.850 6.711 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.979 4.697 5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.052 4.482 5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.990 3.070 5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.085 3.157 6.866 1.00 0.00 H new ATOM 1246 N ASN A 78 -1.614 2.138 10.416 1.00 0.00 N ATOM 1247 CA ASN A 78 -0.730 1.251 11.145 1.00 0.00 C ATOM 1248 C ASN A 78 -1.519 0.041 11.648 1.00 0.00 C ATOM 1249 O ASN A 78 -1.107 -1.104 11.508 1.00 0.00 O ATOM 1250 CB ASN A 78 -0.113 1.998 12.327 1.00 0.00 C ATOM 1251 CG ASN A 78 0.673 3.211 11.825 1.00 0.00 C ATOM 1252 OD1 ASN A 78 1.852 3.129 11.503 1.00 0.00 O ATOM 1253 ND2 ASN A 78 -0.062 4.336 11.791 1.00 0.00 N ATOM 0 H ASN A 78 -1.582 3.124 10.677 1.00 0.00 H new ATOM 0 HA ASN A 78 0.067 0.909 10.484 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.896 2.320 13.013 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.546 1.333 12.885 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.359 5.211 11.478 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.041 4.315 12.078 1.00 0.00 H new ATOM 1260 N GLU A 79 -2.682 0.380 12.232 1.00 0.00 N ATOM 1261 CA GLU A 79 -3.549 -0.682 12.720 1.00 0.00 C ATOM 1262 C GLU A 79 -3.930 -1.648 11.589 1.00 0.00 C ATOM 1263 O GLU A 79 -4.068 -2.848 11.794 1.00 0.00 O ATOM 1264 CB GLU A 79 -4.804 -0.071 13.344 1.00 0.00 C ATOM 1265 CG GLU A 79 -5.720 -1.136 13.947 1.00 0.00 C ATOM 1266 CD GLU A 79 -6.940 -0.468 14.586 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -6.754 0.426 15.411 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -8.060 -0.848 14.252 1.00 0.00 O ATOM 0 H GLU A 79 -3.022 1.332 12.369 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.010 -1.252 13.477 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.515 0.639 14.119 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.350 0.490 12.585 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.040 -1.834 13.174 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.177 -1.715 14.695 1.00 0.00 H new ATOM 1275 N LEU A 80 -4.080 -1.058 10.388 1.00 0.00 N ATOM 1276 CA LEU A 80 -4.369 -1.900 9.244 1.00 0.00 C ATOM 1277 C LEU A 80 -3.204 -2.865 9.037 1.00 0.00 C ATOM 1278 O LEU A 80 -3.321 -4.076 9.181 1.00 0.00 O ATOM 1279 CB LEU A 80 -4.546 -1.017 8.010 1.00 0.00 C ATOM 1280 CG LEU A 80 -5.236 -1.740 6.853 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -5.588 -0.728 5.764 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -4.380 -2.874 6.286 1.00 0.00 C ATOM 0 H LEU A 80 -4.009 -0.058 10.202 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.284 -2.469 9.411 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.129 -0.137 8.280 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.569 -0.664 7.680 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.147 -2.200 7.235 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.080 -1.240 4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.258 0.028 6.173 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.677 -0.249 5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.913 -3.357 5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.438 -2.469 5.917 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.179 -3.605 7.069 1.00 0.00 H new ATOM 1294 N VAL A 81 -2.073 -2.225 8.693 1.00 0.00 N ATOM 1295 CA VAL A 81 -0.858 -2.994 8.503 1.00 0.00 C ATOM 1296 C VAL A 81 -0.684 -4.038 9.619 1.00 0.00 C ATOM 1297 O VAL A 81 -0.196 -5.139 9.393 1.00 0.00 O ATOM 1298 CB VAL A 81 0.333 -2.035 8.485 1.00 0.00 C ATOM 1299 CG1 VAL A 81 1.653 -2.789 8.323 1.00 0.00 C ATOM 1300 CG2 VAL A 81 0.167 -0.991 7.382 1.00 0.00 C ATOM 0 H VAL A 81 -1.986 -1.219 8.549 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.919 -3.530 7.556 1.00 0.00 H new ATOM 0 HB VAL A 81 0.361 -1.521 9.446 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.479 -2.078 8.314 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.780 -3.483 9.154 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.642 -3.344 7.385 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.025 -0.318 7.386 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.102 -1.490 6.415 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.744 -0.419 7.557 1.00 0.00 H new ATOM 1310 N ASP A 82 -1.109 -3.625 10.830 1.00 0.00 N ATOM 1311 CA ASP A 82 -0.961 -4.520 11.963 1.00 0.00 C ATOM 1312 C ASP A 82 -1.727 -5.827 11.729 1.00 0.00 C ATOM 1313 O ASP A 82 -1.270 -6.907 12.084 1.00 0.00 O ATOM 1314 CB ASP A 82 -1.465 -3.829 13.233 1.00 0.00 C ATOM 1315 CG ASP A 82 -0.608 -2.596 13.531 1.00 0.00 C ATOM 1316 OD1 ASP A 82 0.425 -2.430 12.886 1.00 0.00 O ATOM 1317 OD2 ASP A 82 -0.987 -1.815 14.402 1.00 0.00 O ATOM 0 H ASP A 82 -1.535 -2.721 11.031 1.00 0.00 H new ATOM 0 HA ASP A 82 0.095 -4.764 12.081 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.508 -3.536 13.109 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.426 -4.521 14.074 1.00 0.00 H new ATOM 1322 N TYR A 83 -2.913 -5.666 11.110 1.00 0.00 N ATOM 1323 CA TYR A 83 -3.708 -6.849 10.851 1.00 0.00 C ATOM 1324 C TYR A 83 -2.993 -7.743 9.836 1.00 0.00 C ATOM 1325 O TYR A 83 -2.791 -8.932 10.052 1.00 0.00 O ATOM 1326 CB TYR A 83 -5.077 -6.434 10.312 1.00 0.00 C ATOM 1327 CG TYR A 83 -5.844 -5.606 11.301 1.00 0.00 C ATOM 1328 CD1 TYR A 83 -5.768 -5.889 12.712 1.00 0.00 C ATOM 1329 CD2 TYR A 83 -6.670 -4.520 10.840 1.00 0.00 C ATOM 1330 CE1 TYR A 83 -6.512 -5.094 13.653 1.00 0.00 C ATOM 1331 CE2 TYR A 83 -7.415 -3.723 11.780 1.00 0.00 C ATOM 1332 CZ TYR A 83 -7.335 -4.012 13.187 1.00 0.00 C ATOM 1333 OH TYR A 83 -8.049 -3.249 14.088 1.00 0.00 O ATOM 0 H TYR A 83 -3.311 -4.779 10.802 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.842 -7.407 11.778 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.947 -5.868 9.389 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.653 -7.325 10.061 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -5.150 -6.701 13.065 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.731 -4.302 9.784 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.452 -5.311 14.709 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.033 -2.910 11.429 1.00 0.00 H new ATOM 0 HH TYR A 83 -8.259 -2.380 13.687 1.00 0.00 H new ATOM 1343 N HIS A 84 -2.624 -7.091 8.719 1.00 0.00 N ATOM 1344 CA HIS A 84 -1.930 -7.850 7.691 1.00 0.00 C ATOM 1345 C HIS A 84 -0.430 -7.954 8.003 1.00 0.00 C ATOM 1346 O HIS A 84 0.412 -7.927 7.113 1.00 0.00 O ATOM 1347 CB HIS A 84 -2.139 -7.190 6.327 1.00 0.00 C ATOM 1348 CG HIS A 84 -3.611 -7.167 5.993 1.00 0.00 C ATOM 1349 ND1 HIS A 84 -4.495 -8.097 6.418 1.00 0.00 N ATOM 1350 CD2 HIS A 84 -4.300 -6.223 5.215 1.00 0.00 C ATOM 1351 CE1 HIS A 84 -5.686 -7.726 5.913 1.00 0.00 C ATOM 1352 NE2 HIS A 84 -5.599 -6.599 5.183 1.00 0.00 N ATOM 0 H HIS A 84 -2.786 -6.104 8.520 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.343 -8.858 7.670 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -1.743 -6.175 6.339 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.591 -7.737 5.560 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -3.872 -5.357 4.732 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -6.605 -8.270 6.075 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -6.361 -6.123 4.701 1.00 0.00 H new ATOM 1360 N ARG A 85 -0.153 -8.083 9.315 1.00 0.00 N ATOM 1361 CA ARG A 85 1.230 -8.300 9.715 1.00 0.00 C ATOM 1362 C ARG A 85 1.523 -9.787 10.046 1.00 0.00 C ATOM 1363 O ARG A 85 2.597 -10.120 10.530 1.00 0.00 O ATOM 1364 CB ARG A 85 1.528 -7.400 10.919 1.00 0.00 C ATOM 1365 CG ARG A 85 2.965 -7.489 11.445 1.00 0.00 C ATOM 1366 CD ARG A 85 4.016 -7.065 10.415 1.00 0.00 C ATOM 1367 NE ARG A 85 4.133 -8.056 9.362 1.00 0.00 N ATOM 1368 CZ ARG A 85 5.043 -7.863 8.389 1.00 0.00 C ATOM 1369 NH1 ARG A 85 5.820 -6.783 8.400 1.00 0.00 N ATOM 1370 NH2 ARG A 85 5.168 -8.757 7.412 1.00 0.00 N ATOM 0 H ARG A 85 -0.835 -8.042 10.072 1.00 0.00 H new ATOM 0 HA ARG A 85 1.883 -8.044 8.880 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.320 -6.366 10.643 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.843 -7.658 11.727 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.060 -6.860 12.330 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.167 -8.513 11.759 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.743 -6.101 9.985 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.980 -6.933 10.906 1.00 0.00 H new ATOM 0 HE ARG A 85 3.537 -8.884 9.359 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.728 -6.096 9.148 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.508 -6.642 7.660 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.575 -9.587 7.401 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.857 -8.613 6.674 1.00 0.00 H new ATOM 1384 N SER A 86 0.531 -10.659 9.764 1.00 0.00 N ATOM 1385 CA SER A 86 0.725 -12.059 10.083 1.00 0.00 C ATOM 1386 C SER A 86 1.360 -12.781 8.893 1.00 0.00 C ATOM 1387 O SER A 86 2.550 -13.071 8.878 1.00 0.00 O ATOM 1388 CB SER A 86 -0.617 -12.698 10.444 1.00 0.00 C ATOM 1389 OG SER A 86 -1.523 -12.597 9.375 1.00 0.00 O ATOM 0 H SER A 86 -0.364 -10.420 9.337 1.00 0.00 H new ATOM 0 HA SER A 86 1.395 -12.145 10.939 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.468 -13.746 10.702 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.032 -12.209 11.325 1.00 0.00 H new ATOM 0 HG SER A 86 -2.374 -13.013 9.627 1.00 0.00 H new ATOM 1395 N THR A 87 0.488 -13.071 7.909 1.00 0.00 N ATOM 1396 CA THR A 87 1.004 -13.825 6.782 1.00 0.00 C ATOM 1397 C THR A 87 -0.014 -13.870 5.640 1.00 0.00 C ATOM 1398 O THR A 87 -0.183 -14.885 4.976 1.00 0.00 O ATOM 1399 CB THR A 87 1.345 -15.246 7.233 1.00 0.00 C ATOM 1400 OG1 THR A 87 1.892 -15.959 6.153 1.00 0.00 O ATOM 1401 CG2 THR A 87 0.112 -15.983 7.756 1.00 0.00 C ATOM 0 H THR A 87 -0.498 -12.814 7.877 1.00 0.00 H new ATOM 0 HA THR A 87 1.903 -13.330 6.415 1.00 0.00 H new ATOM 0 HB THR A 87 2.067 -15.178 8.047 1.00 0.00 H new ATOM 0 HG1 THR A 87 2.858 -15.799 6.111 1.00 0.00 H new ATOM 0 HG21 THR A 87 0.394 -16.989 8.067 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.301 -15.442 8.608 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.637 -16.044 6.967 1.00 0.00 H new ATOM 1409 N SER A 88 -0.676 -12.715 5.451 1.00 0.00 N ATOM 1410 CA SER A 88 -1.624 -12.674 4.353 1.00 0.00 C ATOM 1411 C SER A 88 -2.239 -11.282 4.228 1.00 0.00 C ATOM 1412 O SER A 88 -2.537 -10.606 5.204 1.00 0.00 O ATOM 1413 CB SER A 88 -2.723 -13.713 4.563 1.00 0.00 C ATOM 1414 OG SER A 88 -3.401 -13.487 5.773 1.00 0.00 O ATOM 0 H SER A 88 -0.578 -11.863 6.004 1.00 0.00 H new ATOM 0 HA SER A 88 -1.091 -12.904 3.431 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.429 -13.675 3.733 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.288 -14.713 4.566 1.00 0.00 H new ATOM 0 HG SER A 88 -4.102 -14.163 5.887 1.00 0.00 H new ATOM 1420 N VAL A 89 -2.395 -10.914 2.944 1.00 0.00 N ATOM 1421 CA VAL A 89 -2.935 -9.611 2.633 1.00 0.00 C ATOM 1422 C VAL A 89 -4.301 -9.738 1.942 1.00 0.00 C ATOM 1423 O VAL A 89 -5.212 -8.956 2.182 1.00 0.00 O ATOM 1424 CB VAL A 89 -1.948 -8.919 1.701 1.00 0.00 C ATOM 1425 CG1 VAL A 89 -2.591 -7.702 1.055 1.00 0.00 C ATOM 1426 CG2 VAL A 89 -0.663 -8.543 2.440 1.00 0.00 C ATOM 0 H VAL A 89 -2.158 -11.492 2.138 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.078 -9.037 3.548 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.676 -9.618 0.910 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.872 -7.219 0.392 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.463 -8.013 0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.899 -6.999 1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.023 -8.051 1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.900 -7.866 3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.194 -9.444 2.836 1.00 0.00 H new ATOM 1436 N SER A 90 -4.379 -10.759 1.068 1.00 0.00 N ATOM 1437 CA SER A 90 -5.596 -10.898 0.290 1.00 0.00 C ATOM 1438 C SER A 90 -5.993 -12.369 0.194 1.00 0.00 C ATOM 1439 O SER A 90 -6.981 -12.818 0.763 1.00 0.00 O ATOM 1440 CB SER A 90 -5.359 -10.353 -1.113 1.00 0.00 C ATOM 1441 OG SER A 90 -6.536 -10.408 -1.879 1.00 0.00 O ATOM 0 H SER A 90 -3.654 -11.456 0.897 1.00 0.00 H new ATOM 0 HA SER A 90 -6.396 -10.342 0.778 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.008 -9.323 -1.053 1.00 0.00 H new ATOM 0 HB3 SER A 90 -4.574 -10.929 -1.603 1.00 0.00 H new ATOM 0 HG SER A 90 -6.360 -10.052 -2.775 1.00 0.00 H new ATOM 1447 N ARG A 91 -5.145 -13.081 -0.569 1.00 0.00 N ATOM 1448 CA ARG A 91 -5.376 -14.508 -0.742 1.00 0.00 C ATOM 1449 C ARG A 91 -5.330 -15.301 0.585 1.00 0.00 C ATOM 1450 O ARG A 91 -5.380 -16.524 0.579 1.00 0.00 O ATOM 1451 CB ARG A 91 -4.316 -15.066 -1.690 1.00 0.00 C ATOM 1452 CG ARG A 91 -4.307 -14.334 -3.032 1.00 0.00 C ATOM 1453 CD ARG A 91 -5.611 -14.540 -3.803 1.00 0.00 C ATOM 1454 NE ARG A 91 -5.810 -15.951 -4.078 1.00 0.00 N ATOM 1455 CZ ARG A 91 -5.024 -16.548 -4.993 1.00 0.00 C ATOM 1456 NH1 ARG A 91 -4.084 -15.853 -5.629 1.00 0.00 N ATOM 1457 NH2 ARG A 91 -5.187 -17.841 -5.263 1.00 0.00 N ATOM 0 H ARG A 91 -4.330 -12.704 -1.053 1.00 0.00 H new ATOM 0 HA ARG A 91 -6.381 -14.624 -1.148 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.334 -14.983 -1.225 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.501 -16.127 -1.857 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.150 -13.269 -2.863 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.470 -14.689 -3.633 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.450 -14.152 -3.225 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.582 -13.980 -4.738 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.531 -16.480 -3.588 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.956 -14.862 -5.424 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -3.492 -16.311 -6.321 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.906 -18.377 -4.777 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.593 -18.296 -5.956 1.00 0.00 H new ATOM 1471 N ASN A 92 -5.232 -14.554 1.705 1.00 0.00 N ATOM 1472 CA ASN A 92 -5.217 -15.208 3.007 1.00 0.00 C ATOM 1473 C ASN A 92 -3.906 -15.980 3.274 1.00 0.00 C ATOM 1474 O ASN A 92 -3.648 -16.395 4.398 1.00 0.00 O ATOM 1475 CB ASN A 92 -6.415 -16.150 3.138 1.00 0.00 C ATOM 1476 CG ASN A 92 -7.710 -15.390 2.845 1.00 0.00 C ATOM 1477 OD1 ASN A 92 -7.987 -14.340 3.411 1.00 0.00 O ATOM 1478 ND2 ASN A 92 -8.475 -15.995 1.918 1.00 0.00 N ATOM 0 H ASN A 92 -5.165 -13.536 1.726 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.282 -14.420 3.757 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.309 -16.985 2.446 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -6.450 -16.571 4.143 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.363 -15.578 1.638 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.167 -16.871 1.496 1.00 0.00 H new ATOM 1485 N GLN A 93 -3.097 -16.152 2.208 1.00 0.00 N ATOM 1486 CA GLN A 93 -1.851 -16.862 2.399 1.00 0.00 C ATOM 1487 C GLN A 93 -0.980 -16.681 1.156 1.00 0.00 C ATOM 1488 O GLN A 93 -1.418 -16.893 0.033 1.00 0.00 O ATOM 1489 CB GLN A 93 -2.136 -18.344 2.635 1.00 0.00 C ATOM 1490 CG GLN A 93 -2.864 -18.980 1.450 1.00 0.00 C ATOM 1491 CD GLN A 93 -3.120 -20.463 1.732 1.00 0.00 C ATOM 1492 OE1 GLN A 93 -3.451 -20.705 3.012 1.00 0.00 O flip ATOM 1493 NE2 GLN A 93 -3.018 -21.315 0.858 1.00 0.00 N flip ATOM 0 H GLN A 93 -3.283 -15.823 1.261 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.326 -16.465 3.268 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.198 -18.871 2.810 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -2.739 -18.459 3.536 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.809 -18.466 1.274 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.268 -18.871 0.544 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.761 -21.044 -0.091 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -3.190 -22.296 1.079 1.00 0.00 H new ATOM 1502 N GLN A 94 0.268 -16.272 1.456 1.00 0.00 N ATOM 1503 CA GLN A 94 1.282 -16.044 0.433 1.00 0.00 C ATOM 1504 C GLN A 94 1.473 -14.546 0.132 1.00 0.00 C ATOM 1505 O GLN A 94 1.885 -14.171 -0.958 1.00 0.00 O ATOM 1506 CB GLN A 94 0.980 -16.791 -0.871 1.00 0.00 C ATOM 1507 CG GLN A 94 0.824 -18.301 -0.668 1.00 0.00 C ATOM 1508 CD GLN A 94 2.101 -18.873 -0.049 1.00 0.00 C ATOM 1509 OE1 GLN A 94 2.183 -19.130 1.145 1.00 0.00 O ATOM 1510 NE2 GLN A 94 3.083 -19.058 -0.949 1.00 0.00 N ATOM 0 H GLN A 94 0.590 -16.095 2.407 1.00 0.00 H new ATOM 0 HA GLN A 94 2.208 -16.441 0.849 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.066 -16.392 -1.310 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.783 -16.606 -1.585 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.028 -18.504 -0.020 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.622 -18.787 -1.622 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.930 -18.816 -1.928 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.981 -19.440 -0.653 1.00 0.00 H new ATOM 1519 N ILE A 95 1.169 -13.716 1.150 1.00 0.00 N ATOM 1520 CA ILE A 95 1.428 -12.302 0.956 1.00 0.00 C ATOM 1521 C ILE A 95 1.770 -11.645 2.295 1.00 0.00 C ATOM 1522 O ILE A 95 0.998 -11.668 3.245 1.00 0.00 O ATOM 1523 CB ILE A 95 0.218 -11.623 0.317 1.00 0.00 C ATOM 1524 CG1 ILE A 95 -0.253 -12.414 -0.903 1.00 0.00 C ATOM 1525 CG2 ILE A 95 0.558 -10.183 -0.069 1.00 0.00 C ATOM 1526 CD1 ILE A 95 -1.451 -11.751 -1.583 1.00 0.00 C ATOM 0 H ILE A 95 0.772 -13.986 2.050 1.00 0.00 H new ATOM 0 HA ILE A 95 2.278 -12.187 0.284 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.594 -11.600 1.044 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.566 -12.503 -1.617 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.522 -13.425 -0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.314 -9.712 -0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.848 -9.626 0.822 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.383 -10.182 -0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.754 -12.345 -2.445 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.279 -11.686 -0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.174 -10.749 -1.912 1.00 0.00 H new ATOM 1538 N PHE A 96 2.982 -11.062 2.294 1.00 0.00 N ATOM 1539 CA PHE A 96 3.438 -10.410 3.507 1.00 0.00 C ATOM 1540 C PHE A 96 3.714 -8.933 3.220 1.00 0.00 C ATOM 1541 O PHE A 96 4.244 -8.568 2.178 1.00 0.00 O ATOM 1542 CB PHE A 96 4.718 -11.085 4.003 1.00 0.00 C ATOM 1543 CG PHE A 96 4.510 -12.547 4.265 1.00 0.00 C ATOM 1544 CD1 PHE A 96 4.550 -13.491 3.177 1.00 0.00 C ATOM 1545 CD2 PHE A 96 4.274 -13.018 5.606 1.00 0.00 C ATOM 1546 CE1 PHE A 96 4.357 -14.894 3.427 1.00 0.00 C ATOM 1547 CE2 PHE A 96 4.082 -14.422 5.858 1.00 0.00 C ATOM 1548 CZ PHE A 96 4.124 -15.360 4.768 1.00 0.00 C ATOM 0 H PHE A 96 3.626 -11.034 1.504 1.00 0.00 H new ATOM 0 HA PHE A 96 2.668 -10.492 4.274 1.00 0.00 H new ATOM 0 HB2 PHE A 96 5.507 -10.957 3.262 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.056 -10.596 4.917 1.00 0.00 H new ATOM 0 HD1 PHE A 96 4.726 -13.143 2.170 1.00 0.00 H new ATOM 0 HD2 PHE A 96 4.241 -12.315 6.425 1.00 0.00 H new ATOM 0 HE1 PHE A 96 4.387 -15.598 2.608 1.00 0.00 H new ATOM 0 HE2 PHE A 96 3.906 -14.771 6.865 1.00 0.00 H new ATOM 0 HZ PHE A 96 3.981 -16.414 4.956 1.00 0.00 H new ATOM 1558 N LEU A 97 3.327 -8.113 4.213 1.00 0.00 N ATOM 1559 CA LEU A 97 3.626 -6.701 4.065 1.00 0.00 C ATOM 1560 C LEU A 97 5.000 -6.421 4.675 1.00 0.00 C ATOM 1561 O LEU A 97 5.184 -6.421 5.886 1.00 0.00 O ATOM 1562 CB LEU A 97 2.547 -5.863 4.753 1.00 0.00 C ATOM 1563 CG LEU A 97 1.159 -6.122 4.167 1.00 0.00 C ATOM 1564 CD1 LEU A 97 0.097 -5.311 4.911 1.00 0.00 C ATOM 1565 CD2 LEU A 97 1.131 -5.799 2.672 1.00 0.00 C ATOM 0 H LEU A 97 2.840 -8.388 5.066 1.00 0.00 H new ATOM 0 HA LEU A 97 3.640 -6.432 3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.538 -6.089 5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.791 -4.805 4.653 1.00 0.00 H new ATOM 0 HG LEU A 97 0.932 -7.181 4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.883 -5.511 4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.093 -5.595 5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.323 -4.248 4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.133 -5.991 2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.385 -4.750 2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.854 -6.426 2.151 1.00 0.00 H new ATOM 1577 N ARG A 98 5.949 -6.200 3.747 1.00 0.00 N ATOM 1578 CA ARG A 98 7.321 -6.054 4.193 1.00 0.00 C ATOM 1579 C ARG A 98 7.879 -4.696 3.765 1.00 0.00 C ATOM 1580 O ARG A 98 7.463 -4.100 2.777 1.00 0.00 O ATOM 1581 CB ARG A 98 8.169 -7.180 3.601 1.00 0.00 C ATOM 1582 CG ARG A 98 9.624 -7.112 4.070 1.00 0.00 C ATOM 1583 CD ARG A 98 9.748 -7.339 5.577 1.00 0.00 C ATOM 1584 NE ARG A 98 11.142 -7.281 5.975 1.00 0.00 N ATOM 1585 CZ ARG A 98 11.512 -7.873 7.126 1.00 0.00 C ATOM 1586 NH1 ARG A 98 10.612 -8.498 7.880 1.00 0.00 N ATOM 1587 NH2 ARG A 98 12.785 -7.831 7.513 1.00 0.00 N ATOM 0 H ARG A 98 5.794 -6.124 2.742 1.00 0.00 H new ATOM 0 HA ARG A 98 7.351 -6.111 5.281 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.742 -8.142 3.884 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.136 -7.124 2.513 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.212 -7.862 3.540 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.043 -6.139 3.814 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.176 -6.583 6.115 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.325 -8.308 5.843 1.00 0.00 H new ATOM 0 HE ARG A 98 11.829 -6.801 5.394 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.636 -8.531 7.587 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.898 -8.945 8.751 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.477 -7.351 6.938 1.00 0.00 H new ATOM 0 HH22 ARG A 98 13.068 -8.279 8.385 1.00 0.00 H new ATOM 1601 N ASP A 99 8.852 -4.257 4.588 1.00 0.00 N ATOM 1602 CA ASP A 99 9.507 -3.001 4.284 1.00 0.00 C ATOM 1603 C ASP A 99 9.848 -2.950 2.794 1.00 0.00 C ATOM 1604 O ASP A 99 10.474 -3.845 2.240 1.00 0.00 O ATOM 1605 CB ASP A 99 10.778 -2.863 5.122 1.00 0.00 C ATOM 1606 CG ASP A 99 10.427 -2.921 6.611 1.00 0.00 C ATOM 1607 OD1 ASP A 99 10.159 -1.871 7.192 1.00 0.00 O ATOM 1608 OD2 ASP A 99 10.431 -4.015 7.173 1.00 0.00 O ATOM 0 H ASP A 99 9.180 -4.737 5.426 1.00 0.00 H new ATOM 0 HA ASP A 99 8.838 -2.175 4.524 1.00 0.00 H new ATOM 0 HB2 ASP A 99 11.477 -3.661 4.873 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.275 -1.920 4.893 1.00 0.00 H new ATOM 1613 N ILE A 100 9.380 -1.844 2.191 1.00 0.00 N ATOM 1614 CA ILE A 100 9.572 -1.691 0.759 1.00 0.00 C ATOM 1615 C ILE A 100 10.945 -1.095 0.378 1.00 0.00 C ATOM 1616 O ILE A 100 11.229 -0.864 -0.790 1.00 0.00 O ATOM 1617 CB ILE A 100 8.421 -0.833 0.235 1.00 0.00 C ATOM 1618 CG1 ILE A 100 8.457 -0.676 -1.283 1.00 0.00 C ATOM 1619 CG2 ILE A 100 8.421 0.532 0.917 1.00 0.00 C ATOM 1620 CD1 ILE A 100 7.240 0.095 -1.787 1.00 0.00 C ATOM 0 H ILE A 100 8.889 -1.080 2.656 1.00 0.00 H new ATOM 0 HA ILE A 100 9.568 -2.677 0.295 1.00 0.00 H new ATOM 0 HB ILE A 100 7.495 -1.353 0.479 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.368 -0.154 -1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.488 -1.659 -1.752 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.595 1.131 0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.304 0.401 1.993 1.00 0.00 H new ATOM 0 HG23 ILE A 100 9.363 1.040 0.713 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.294 0.191 -2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.331 -0.441 -1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.225 1.087 -1.335 1.00 0.00 H new ATOM 1632 N GLU A 101 11.778 -0.858 1.408 1.00 0.00 N ATOM 1633 CA GLU A 101 13.048 -0.229 1.117 1.00 0.00 C ATOM 1634 C GLU A 101 14.106 -0.677 2.127 1.00 0.00 C ATOM 1635 O GLU A 101 14.009 -0.426 3.322 1.00 0.00 O ATOM 1636 CB GLU A 101 12.848 1.282 1.173 1.00 0.00 C ATOM 1637 CG GLU A 101 12.101 1.804 -0.056 1.00 0.00 C ATOM 1638 CD GLU A 101 12.914 1.515 -1.318 1.00 0.00 C ATOM 1639 OE1 GLU A 101 14.113 1.269 -1.201 1.00 0.00 O ATOM 1640 OE2 GLU A 101 12.337 1.535 -2.405 1.00 0.00 O ATOM 0 H GLU A 101 11.599 -1.082 2.387 1.00 0.00 H new ATOM 0 HA GLU A 101 13.398 -0.519 0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.291 1.542 2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.818 1.774 1.245 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.122 1.330 -0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 101 11.930 2.876 0.040 1.00 0.00 H new ATOM 1647 N GLN A 102 15.128 -1.340 1.556 1.00 0.00 N ATOM 1648 CA GLN A 102 16.246 -1.742 2.384 1.00 0.00 C ATOM 1649 C GLN A 102 17.109 -0.518 2.696 1.00 0.00 C ATOM 1650 O GLN A 102 17.515 0.225 1.811 1.00 0.00 O ATOM 1651 CB GLN A 102 17.065 -2.790 1.635 1.00 0.00 C ATOM 1652 CG GLN A 102 17.671 -2.227 0.350 1.00 0.00 C ATOM 1653 CD GLN A 102 18.472 -3.315 -0.369 1.00 0.00 C ATOM 1654 OE1 GLN A 102 17.925 -4.229 -0.972 1.00 0.00 O ATOM 1655 NE2 GLN A 102 19.803 -3.145 -0.262 1.00 0.00 N ATOM 0 H GLN A 102 15.192 -1.593 0.570 1.00 0.00 H new ATOM 0 HA GLN A 102 15.887 -2.169 3.321 1.00 0.00 H new ATOM 0 HB2 GLN A 102 17.862 -3.158 2.281 1.00 0.00 H new ATOM 0 HB3 GLN A 102 16.430 -3.643 1.394 1.00 0.00 H new ATOM 0 HG2 GLN A 102 16.881 -1.854 -0.302 1.00 0.00 H new ATOM 0 HG3 GLN A 102 18.318 -1.381 0.583 1.00 0.00 H new ATOM 0 HE21 GLN A 102 20.175 -2.353 0.261 1.00 0.00 H new ATOM 0 HE22 GLN A 102 20.439 -3.809 -0.704 1.00 0.00 H new ATOM 1664 N VAL A 103 17.351 -0.353 4.009 1.00 0.00 N ATOM 1665 CA VAL A 103 18.104 0.824 4.412 1.00 0.00 C ATOM 1666 C VAL A 103 19.123 0.493 5.513 1.00 0.00 C ATOM 1667 O VAL A 103 20.327 0.563 5.299 1.00 0.00 O ATOM 1668 CB VAL A 103 17.204 2.008 4.794 1.00 0.00 C ATOM 1669 CG1 VAL A 103 17.445 3.170 3.831 1.00 0.00 C ATOM 1670 CG2 VAL A 103 15.716 1.645 4.813 1.00 0.00 C ATOM 0 H VAL A 103 17.055 -0.979 4.758 1.00 0.00 H new ATOM 0 HA VAL A 103 18.665 1.147 3.535 1.00 0.00 H new ATOM 0 HB VAL A 103 17.471 2.299 5.810 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.805 4.008 4.105 1.00 0.00 H new ATOM 0 HG12 VAL A 103 18.489 3.478 3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 103 17.213 2.854 2.814 1.00 0.00 H new ATOM 0 HG21 VAL A 103 15.131 2.522 5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 103 15.412 1.304 3.823 1.00 0.00 H new ATOM 0 HG23 VAL A 103 15.545 0.851 5.539 1.00 0.00 H new ATOM 1680 N PRO A 104 18.594 0.135 6.708 1.00 0.00 N ATOM 1681 CA PRO A 104 19.437 -0.152 7.864 1.00 0.00 C ATOM 1682 C PRO A 104 20.334 -1.393 7.731 1.00 0.00 C ATOM 1683 O PRO A 104 21.067 -1.745 8.648 1.00 0.00 O ATOM 1684 CB PRO A 104 18.450 -0.334 9.020 1.00 0.00 C ATOM 1685 CG PRO A 104 17.093 -0.612 8.365 1.00 0.00 C ATOM 1686 CD PRO A 104 17.170 0.022 6.980 1.00 0.00 C ATOM 0 HA PRO A 104 20.149 0.662 8.002 1.00 0.00 H new ATOM 0 HB2 PRO A 104 18.750 -1.160 9.665 1.00 0.00 H new ATOM 0 HB3 PRO A 104 18.408 0.559 9.644 1.00 0.00 H new ATOM 0 HG2 PRO A 104 16.903 -1.683 8.296 1.00 0.00 H new ATOM 0 HG3 PRO A 104 16.280 -0.181 8.949 1.00 0.00 H new ATOM 0 HD2 PRO A 104 16.671 -0.595 6.233 1.00 0.00 H new ATOM 0 HD3 PRO A 104 16.684 0.998 6.963 1.00 0.00 H new ATOM 1694 N GLN A 105 20.254 -2.019 6.542 1.00 0.00 N ATOM 1695 CA GLN A 105 21.161 -3.119 6.276 1.00 0.00 C ATOM 1696 C GLN A 105 22.574 -2.742 6.731 1.00 0.00 C ATOM 1697 O GLN A 105 23.226 -1.876 6.159 1.00 0.00 O ATOM 1698 CB GLN A 105 21.163 -3.393 4.775 1.00 0.00 C ATOM 1699 CG GLN A 105 19.789 -3.840 4.273 1.00 0.00 C ATOM 1700 CD GLN A 105 19.378 -5.137 4.972 1.00 0.00 C ATOM 1701 OE1 GLN A 105 20.391 -6.013 5.093 1.00 0.00 O flip ATOM 1702 NE2 GLN A 105 18.236 -5.323 5.374 1.00 0.00 N flip ATOM 0 H GLN A 105 19.601 -1.788 5.793 1.00 0.00 H new ATOM 0 HA GLN A 105 20.839 -4.008 6.818 1.00 0.00 H new ATOM 0 HB2 GLN A 105 21.468 -2.492 4.242 1.00 0.00 H new ATOM 0 HB3 GLN A 105 21.900 -4.163 4.548 1.00 0.00 H new ATOM 0 HG2 GLN A 105 19.050 -3.062 4.467 1.00 0.00 H new ATOM 0 HG3 GLN A 105 19.818 -3.991 3.194 1.00 0.00 H new ATOM 0 HE21 GLN A 105 17.525 -4.604 5.241 1.00 0.00 H new ATOM 0 HE22 GLN A 105 17.996 -6.197 5.842 1.00 0.00 H new ATOM 1711 N GLN A 106 22.997 -3.445 7.796 1.00 0.00 N ATOM 1712 CA GLN A 106 24.309 -3.131 8.328 1.00 0.00 C ATOM 1713 C GLN A 106 24.831 -4.314 9.139 1.00 0.00 C ATOM 1714 O GLN A 106 24.075 -5.120 9.669 1.00 0.00 O ATOM 1715 CB GLN A 106 24.211 -1.890 9.219 1.00 0.00 C ATOM 1716 CG GLN A 106 23.520 -2.182 10.554 1.00 0.00 C ATOM 1717 CD GLN A 106 24.474 -2.891 11.519 1.00 0.00 C ATOM 1718 OE1 GLN A 106 25.688 -2.880 11.354 1.00 0.00 O ATOM 1719 NE2 GLN A 106 23.836 -3.514 12.527 1.00 0.00 N ATOM 0 H GLN A 106 22.480 -4.185 8.271 1.00 0.00 H new ATOM 0 HA GLN A 106 24.998 -2.932 7.507 1.00 0.00 H new ATOM 0 HB2 GLN A 106 25.212 -1.502 9.408 1.00 0.00 H new ATOM 0 HB3 GLN A 106 23.662 -1.110 8.692 1.00 0.00 H new ATOM 0 HG2 GLN A 106 23.172 -1.250 10.999 1.00 0.00 H new ATOM 0 HG3 GLN A 106 22.640 -2.803 10.385 1.00 0.00 H new ATOM 0 HE21 GLN A 106 22.819 -3.473 12.590 1.00 0.00 H new ATOM 0 HE22 GLN A 106 24.370 -4.028 13.228 1.00 0.00 H new ATOM 1728 N PRO A 107 26.177 -4.358 9.229 1.00 0.00 N ATOM 1729 CA PRO A 107 27.063 -3.449 8.513 1.00 0.00 C ATOM 1730 C PRO A 107 27.187 -3.892 7.050 1.00 0.00 C ATOM 1731 O PRO A 107 26.233 -4.336 6.424 1.00 0.00 O ATOM 1732 CB PRO A 107 28.381 -3.608 9.287 1.00 0.00 C ATOM 1733 CG PRO A 107 28.344 -5.037 9.834 1.00 0.00 C ATOM 1734 CD PRO A 107 26.861 -5.303 10.095 1.00 0.00 C ATOM 0 HA PRO A 107 26.726 -2.413 8.471 1.00 0.00 H new ATOM 0 HB2 PRO A 107 29.242 -3.456 8.637 1.00 0.00 H new ATOM 0 HB3 PRO A 107 28.457 -2.878 10.093 1.00 0.00 H new ATOM 0 HG2 PRO A 107 28.756 -5.748 9.118 1.00 0.00 H new ATOM 0 HG3 PRO A 107 28.931 -5.129 10.748 1.00 0.00 H new ATOM 0 HD2 PRO A 107 26.592 -6.332 9.855 1.00 0.00 H new ATOM 0 HD3 PRO A 107 26.605 -5.142 11.142 1.00 0.00 H new ATOM 1742 N THR A 108 28.432 -3.774 6.570 1.00 0.00 N ATOM 1743 CA THR A 108 28.724 -4.215 5.224 1.00 0.00 C ATOM 1744 C THR A 108 30.136 -4.811 5.156 1.00 0.00 C ATOM 1745 O THR A 108 30.894 -4.566 4.227 1.00 0.00 O ATOM 1746 CB THR A 108 28.611 -3.023 4.279 1.00 0.00 C ATOM 1747 OG1 THR A 108 28.976 -3.447 2.994 1.00 0.00 O ATOM 1748 CG2 THR A 108 29.512 -1.864 4.706 1.00 0.00 C ATOM 0 H THR A 108 29.223 -3.388 7.085 1.00 0.00 H new ATOM 0 HA THR A 108 28.012 -4.986 4.929 1.00 0.00 H new ATOM 0 HB THR A 108 27.583 -2.660 4.299 1.00 0.00 H new ATOM 0 HG1 THR A 108 29.899 -3.775 3.008 1.00 0.00 H new ATOM 0 HG21 THR A 108 29.399 -1.038 4.004 1.00 0.00 H new ATOM 0 HG22 THR A 108 29.230 -1.533 5.705 1.00 0.00 H new ATOM 0 HG23 THR A 108 30.551 -2.194 4.713 1.00 0.00 H new ATOM 1756 N TYR A 109 30.432 -5.604 6.203 1.00 0.00 N ATOM 1757 CA TYR A 109 31.738 -6.234 6.247 1.00 0.00 C ATOM 1758 C TYR A 109 31.646 -7.546 7.028 1.00 0.00 C ATOM 1759 O TYR A 109 31.307 -7.575 8.204 1.00 0.00 O ATOM 1760 CB TYR A 109 32.747 -5.301 6.920 1.00 0.00 C ATOM 1761 CG TYR A 109 32.880 -4.003 6.181 1.00 0.00 C ATOM 1762 CD1 TYR A 109 33.445 -3.976 4.857 1.00 0.00 C ATOM 1763 CD2 TYR A 109 32.448 -2.772 6.794 1.00 0.00 C ATOM 1764 CE1 TYR A 109 33.578 -2.730 4.148 1.00 0.00 C ATOM 1765 CE2 TYR A 109 32.581 -1.525 6.089 1.00 0.00 C ATOM 1766 CZ TYR A 109 33.146 -1.505 4.766 1.00 0.00 C ATOM 1767 OH TYR A 109 33.274 -0.310 4.089 1.00 0.00 O ATOM 0 H TYR A 109 29.812 -5.809 6.986 1.00 0.00 H new ATOM 0 HA TYR A 109 32.071 -6.440 5.230 1.00 0.00 H new ATOM 0 HB2 TYR A 109 32.434 -5.106 7.946 1.00 0.00 H new ATOM 0 HB3 TYR A 109 33.719 -5.792 6.971 1.00 0.00 H new ATOM 0 HD1 TYR A 109 33.771 -4.895 4.393 1.00 0.00 H new ATOM 0 HD2 TYR A 109 32.023 -2.786 7.787 1.00 0.00 H new ATOM 0 HE1 TYR A 109 34.001 -2.715 3.154 1.00 0.00 H new ATOM 0 HE2 TYR A 109 32.257 -0.605 6.552 1.00 0.00 H new ATOM 0 HH TYR A 109 32.934 0.420 4.647 1.00 0.00 H new ATOM 1777 N VAL A 110 31.973 -8.623 6.291 1.00 0.00 N ATOM 1778 CA VAL A 110 31.942 -9.919 6.941 1.00 0.00 C ATOM 1779 C VAL A 110 33.326 -10.240 7.510 1.00 0.00 C ATOM 1780 O VAL A 110 34.313 -10.337 6.791 1.00 0.00 O ATOM 1781 CB VAL A 110 31.495 -10.991 5.945 1.00 0.00 C ATOM 1782 CG1 VAL A 110 30.073 -10.711 5.456 1.00 0.00 C ATOM 1783 CG2 VAL A 110 32.460 -11.087 4.762 1.00 0.00 C ATOM 0 H VAL A 110 32.244 -8.617 5.308 1.00 0.00 H new ATOM 0 HA VAL A 110 31.226 -9.900 7.763 1.00 0.00 H new ATOM 0 HB VAL A 110 31.503 -11.951 6.462 1.00 0.00 H new ATOM 0 HG11 VAL A 110 29.773 -11.484 4.749 1.00 0.00 H new ATOM 0 HG12 VAL A 110 29.390 -10.711 6.305 1.00 0.00 H new ATOM 0 HG13 VAL A 110 30.042 -9.738 4.965 1.00 0.00 H new ATOM 0 HG21 VAL A 110 32.115 -11.857 4.072 1.00 0.00 H new ATOM 0 HG22 VAL A 110 32.498 -10.128 4.245 1.00 0.00 H new ATOM 0 HG23 VAL A 110 33.455 -11.344 5.124 1.00 0.00 H new ATOM 1793 N GLN A 111 33.308 -10.387 8.851 1.00 0.00 N ATOM 1794 CA GLN A 111 34.510 -10.689 9.608 1.00 0.00 C ATOM 1795 C GLN A 111 35.768 -10.203 8.883 1.00 0.00 C ATOM 1796 O GLN A 111 36.263 -10.827 7.952 1.00 0.00 O ATOM 1797 CB GLN A 111 34.571 -12.195 9.845 1.00 0.00 C ATOM 1798 CG GLN A 111 33.364 -12.694 10.641 1.00 0.00 C ATOM 1799 CD GLN A 111 33.473 -14.204 10.859 1.00 0.00 C ATOM 1800 OE1 GLN A 111 33.899 -14.955 9.991 1.00 0.00 O ATOM 1801 NE2 GLN A 111 33.064 -14.588 12.083 1.00 0.00 N ATOM 0 H GLN A 111 32.466 -10.299 9.420 1.00 0.00 H new ATOM 0 HA GLN A 111 34.471 -10.164 10.562 1.00 0.00 H new ATOM 0 HB2 GLN A 111 34.613 -12.712 8.887 1.00 0.00 H new ATOM 0 HB3 GLN A 111 35.487 -12.442 10.381 1.00 0.00 H new ATOM 0 HG2 GLN A 111 33.314 -12.182 11.602 1.00 0.00 H new ATOM 0 HG3 GLN A 111 32.443 -12.460 10.107 1.00 0.00 H new ATOM 0 HE21 GLN A 111 32.722 -13.894 12.748 1.00 0.00 H new ATOM 0 HE22 GLN A 111 33.096 -15.573 12.346 1.00 0.00 H new ATOM 1810 N ALA A 112 36.251 -9.052 9.386 1.00 0.00 N ATOM 1811 CA ALA A 112 37.446 -8.493 8.783 1.00 0.00 C ATOM 1812 C ALA A 112 38.629 -8.650 9.740 1.00 0.00 C ATOM 1813 O ALA A 112 39.710 -8.156 9.424 1.00 0.00 O ATOM 1814 CB ALA A 112 37.219 -7.015 8.462 1.00 0.00 C ATOM 1815 OXT ALA A 112 38.455 -9.265 10.791 1.00 0.00 O ATOM 0 H ALA A 112 35.851 -8.526 10.163 1.00 0.00 H new ATOM 0 HA ALA A 112 37.667 -9.025 7.858 1.00 0.00 H new ATOM 0 HB1 ALA A 112 38.119 -6.599 8.009 1.00 0.00 H new ATOM 0 HB2 ALA A 112 36.385 -6.918 7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 112 36.991 -6.474 9.380 1.00 0.00 H new TER 1821 ALA A 112