USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 927 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: B 65 SER OG : rot 53:sc= 0.294 USER MOD Set 1.2: B 76 TYR OH : rot -79:sc= 0.329 USER MOD Set 2.1: B 54 ASN : amide:sc= -3.31! C(o=-3.7!,f=-5.2!) USER MOD Set 2.2: B 59 SER OG : rot 120:sc= -0.414 USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0956 (180deg=0) USER MOD Single : A 3 HIS : no HE2:sc= 0.0576 X(o=0.058,f=-0.43) USER MOD Single : A 4 MET CE :methyl -162:sc= -0.059 (180deg=-0.445) USER MOD Single : A 5 SER OG : rot 24:sc= 0.0874 USER MOD Single : A 7 GLN : amide:sc= -0.74 K(o=-0.74,f=-1.3) USER MOD Single : A 20 TYR OH : rot 180:sc=-0.00236 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : B 25 HIS : no HD1:sc= -0.0129 X(o=-0.013,f=-0.31) USER MOD Single : B 27 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : B 28 GLN :FLIP amide:sc= -2.11! C(o=-3.4!,f=-2.1!) USER MOD Single : B 34 TYR OH : rot -47:sc= 0.47 USER MOD Single : B 37 LYS NZ :NH3+ -115:sc= 1.24 (180deg=-0.222) USER MOD Single : B 38 MET CE :methyl -167:sc= 0 (180deg=-0.226) USER MOD Single : B 39 LYS NZ :NH3+ -167:sc= -0.0148 (180deg=-0.176) USER MOD Single : B 42 LYS NZ :NH3+ -148:sc= -1.33 (180deg=-3.2!) USER MOD Single : B 46 TYR OH : rot -137:sc= -0.393! USER MOD Single : B 47 LYS NZ :NH3+ -176:sc= 2.23 (180deg=2.17) USER MOD Single : B 55 LYS NZ :NH3+ 169:sc= 1.28 (180deg=1.12) USER MOD Single : B 58 ASN :FLIP amide:sc= -0.529 F(o=-1.4,f=-0.53) USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 SER OG : rot 180:sc= -0.777 USER MOD Single : B 68 TYR OH : rot 180:sc= -0.331 USER MOD Single : B 69 ASN :FLIP amide:sc= -0.67 F(o=-2,f=-0.67) USER MOD Single : B 73 ASN : amide:sc= -3.5 K(o=-3.5,f=-4.2) USER MOD Single : B 78 ASN : amide:sc= 0.794 K(o=0.79,f=-5.2!) USER MOD Single : B 80 LYS NZ :NH3+ -176:sc= -0.0425 (180deg=-0.0595) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 92 ASN :FLIP amide:sc= -0.909 F(o=-2.2!,f=-0.91) USER MOD Single : B 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 100 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.6!) USER MOD Single : B 103 LYS NZ :NH3+ 170:sc= 1.67 (180deg=1.49) USER MOD Single : B 106 THR OG1 : rot 49:sc= 0.74 USER MOD Single : B 108 TYR OH : rot 30:sc=-0.00341 USER MOD Single : B 110 TYR OH : rot -165:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.919 19.912 -8.225 1.00 0.00 N ATOM 2 CA GLY A 1 6.408 20.160 -6.856 1.00 0.00 C ATOM 3 C GLY A 1 7.468 20.768 -5.963 1.00 0.00 C ATOM 4 O GLY A 1 8.483 21.259 -6.459 1.00 0.00 O ATOM 0 H1 GLY A 1 6.283 20.355 -8.918 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.871 20.319 -8.319 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.962 18.888 -8.399 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.547 20.827 -6.904 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.061 19.222 -6.422 1.00 0.00 H new ATOM 10 N PRO A 2 7.260 20.754 -4.635 1.00 0.00 N ATOM 11 CA PRO A 2 8.206 21.331 -3.670 1.00 0.00 C ATOM 12 C PRO A 2 9.594 20.692 -3.731 1.00 0.00 C ATOM 13 O PRO A 2 10.587 21.316 -3.358 1.00 0.00 O ATOM 14 CB PRO A 2 7.556 21.049 -2.311 1.00 0.00 C ATOM 15 CG PRO A 2 6.114 20.829 -2.609 1.00 0.00 C ATOM 16 CD PRO A 2 6.070 20.198 -3.970 1.00 0.00 C ATOM 0 HA PRO A 2 8.376 22.388 -3.872 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.999 20.173 -1.836 1.00 0.00 H new ATOM 0 HB3 PRO A 2 7.694 21.886 -1.627 1.00 0.00 H new ATOM 0 HG2 PRO A 2 5.655 20.181 -1.862 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.564 21.770 -2.596 1.00 0.00 H new ATOM 0 HD2 PRO A 2 6.112 19.110 -3.912 1.00 0.00 H new ATOM 0 HD3 PRO A 2 5.154 20.453 -4.503 1.00 0.00 H new ATOM 24 N HIS A 3 9.666 19.451 -4.197 1.00 0.00 N ATOM 25 CA HIS A 3 10.942 18.753 -4.288 1.00 0.00 C ATOM 26 C HIS A 3 10.956 17.808 -5.484 1.00 0.00 C ATOM 27 O HIS A 3 11.608 18.080 -6.491 1.00 0.00 O ATOM 28 CB HIS A 3 11.213 17.980 -2.992 1.00 0.00 C ATOM 29 CG HIS A 3 12.602 17.419 -2.872 1.00 0.00 C ATOM 30 ND1 HIS A 3 12.983 16.582 -1.845 1.00 0.00 N ATOM 31 CD2 HIS A 3 13.702 17.585 -3.645 1.00 0.00 C ATOM 32 CE1 HIS A 3 14.253 16.257 -1.993 1.00 0.00 C ATOM 33 NE2 HIS A 3 14.711 16.851 -3.077 1.00 0.00 N ATOM 0 H HIS A 3 8.862 18.911 -4.516 1.00 0.00 H new ATOM 0 HA HIS A 3 11.731 19.491 -4.429 1.00 0.00 H new ATOM 0 HB2 HIS A 3 11.029 18.642 -2.146 1.00 0.00 H new ATOM 0 HB3 HIS A 3 10.498 17.161 -2.918 1.00 0.00 H new ATOM 0 HD1 HIS A 3 12.377 16.264 -1.089 1.00 0.00 H new ATOM 0 HD2 HIS A 3 13.771 18.184 -4.541 1.00 0.00 H new ATOM 0 HE1 HIS A 3 14.821 15.614 -1.337 1.00 0.00 H new ATOM 42 N MET A 4 10.215 16.716 -5.371 1.00 0.00 N ATOM 43 CA MET A 4 10.179 15.687 -6.404 1.00 0.00 C ATOM 44 C MET A 4 9.104 14.661 -6.060 1.00 0.00 C ATOM 45 O MET A 4 8.805 14.447 -4.885 1.00 0.00 O ATOM 46 CB MET A 4 11.551 15.009 -6.526 1.00 0.00 C ATOM 47 CG MET A 4 11.636 13.972 -7.636 1.00 0.00 C ATOM 48 SD MET A 4 13.250 13.168 -7.712 1.00 0.00 S ATOM 49 CE MET A 4 14.297 14.545 -8.185 1.00 0.00 C ATOM 0 H MET A 4 9.623 16.517 -4.565 1.00 0.00 H new ATOM 0 HA MET A 4 9.939 16.146 -7.363 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.308 15.774 -6.700 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.793 14.530 -5.577 1.00 0.00 H new ATOM 0 HG2 MET A 4 10.865 13.217 -7.483 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.427 14.451 -8.593 1.00 0.00 H new ATOM 0 HE1 MET A 4 15.240 14.166 -8.579 1.00 0.00 H new ATOM 0 HE2 MET A 4 13.796 15.137 -8.950 1.00 0.00 H new ATOM 0 HE3 MET A 4 14.493 15.170 -7.313 1.00 0.00 H new ATOM 59 N SER A 5 8.516 14.045 -7.072 1.00 0.00 N ATOM 60 CA SER A 5 7.476 13.052 -6.863 1.00 0.00 C ATOM 61 C SER A 5 7.453 12.055 -8.016 1.00 0.00 C ATOM 62 O SER A 5 7.478 12.446 -9.184 1.00 0.00 O ATOM 63 CB SER A 5 6.117 13.739 -6.733 1.00 0.00 C ATOM 64 OG SER A 5 5.852 14.568 -7.858 1.00 0.00 O ATOM 0 H SER A 5 8.743 14.217 -8.052 1.00 0.00 H new ATOM 0 HA SER A 5 7.689 12.511 -5.941 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.334 12.987 -6.639 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.095 14.338 -5.823 1.00 0.00 H new ATOM 0 HG SER A 5 6.376 14.256 -8.625 1.00 0.00 H new ATOM 70 N VAL A 6 7.406 10.776 -7.681 1.00 0.00 N ATOM 71 CA VAL A 6 7.393 9.718 -8.679 1.00 0.00 C ATOM 72 C VAL A 6 6.227 8.769 -8.441 1.00 0.00 C ATOM 73 O VAL A 6 5.860 8.502 -7.298 1.00 0.00 O ATOM 74 CB VAL A 6 8.710 8.912 -8.663 1.00 0.00 C ATOM 75 CG1 VAL A 6 9.859 9.744 -9.205 1.00 0.00 C ATOM 76 CG2 VAL A 6 9.022 8.425 -7.256 1.00 0.00 C ATOM 0 H VAL A 6 7.376 10.443 -6.717 1.00 0.00 H new ATOM 0 HA VAL A 6 7.284 10.195 -9.653 1.00 0.00 H new ATOM 0 HB VAL A 6 8.584 8.043 -9.309 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.776 9.155 -9.184 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.641 10.040 -10.231 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.985 10.635 -8.589 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.954 7.859 -7.265 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.124 9.281 -6.589 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.212 7.785 -6.904 1.00 0.00 H new ATOM 86 N GLN A 7 5.646 8.269 -9.517 1.00 0.00 N ATOM 87 CA GLN A 7 4.535 7.336 -9.411 1.00 0.00 C ATOM 88 C GLN A 7 5.068 5.921 -9.237 1.00 0.00 C ATOM 89 O GLN A 7 6.056 5.542 -9.866 1.00 0.00 O ATOM 90 CB GLN A 7 3.619 7.416 -10.646 1.00 0.00 C ATOM 91 CG GLN A 7 4.185 6.778 -11.914 1.00 0.00 C ATOM 92 CD GLN A 7 5.396 7.502 -12.475 1.00 0.00 C ATOM 93 OE1 GLN A 7 5.268 8.413 -13.293 1.00 0.00 O ATOM 94 NE2 GLN A 7 6.582 7.094 -12.052 1.00 0.00 N ATOM 0 H GLN A 7 5.923 8.492 -10.473 1.00 0.00 H new ATOM 0 HA GLN A 7 3.940 7.607 -8.539 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.671 6.935 -10.408 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.402 8.464 -10.851 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.458 5.745 -11.699 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.405 6.750 -12.675 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.648 6.336 -11.373 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.430 7.538 -12.405 1.00 0.00 H new ATOM 103 N ILE A 8 4.446 5.148 -8.365 1.00 0.00 N ATOM 104 CA ILE A 8 4.874 3.776 -8.162 1.00 0.00 C ATOM 105 C ILE A 8 3.860 2.815 -8.771 1.00 0.00 C ATOM 106 O ILE A 8 2.690 2.820 -8.391 1.00 0.00 O ATOM 107 CB ILE A 8 5.060 3.429 -6.671 1.00 0.00 C ATOM 108 CG1 ILE A 8 5.683 4.600 -5.900 1.00 0.00 C ATOM 109 CG2 ILE A 8 5.935 2.190 -6.541 1.00 0.00 C ATOM 110 CD1 ILE A 8 7.045 5.018 -6.406 1.00 0.00 C ATOM 0 H ILE A 8 3.654 5.441 -7.793 1.00 0.00 H new ATOM 0 HA ILE A 8 5.841 3.673 -8.654 1.00 0.00 H new ATOM 0 HB ILE A 8 4.079 3.230 -6.239 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.009 5.455 -5.953 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.767 4.325 -4.849 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.066 1.946 -5.487 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.458 1.353 -7.051 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.908 2.383 -6.992 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.415 5.851 -5.808 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.736 4.179 -6.327 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.967 5.326 -7.449 1.00 0.00 H new ATOM 122 N PRO A 9 4.289 1.995 -9.736 1.00 0.00 N ATOM 123 CA PRO A 9 3.408 1.036 -10.404 1.00 0.00 C ATOM 124 C PRO A 9 3.036 -0.143 -9.506 1.00 0.00 C ATOM 125 O PRO A 9 3.888 -0.708 -8.815 1.00 0.00 O ATOM 126 CB PRO A 9 4.244 0.559 -11.592 1.00 0.00 C ATOM 127 CG PRO A 9 5.657 0.738 -11.160 1.00 0.00 C ATOM 128 CD PRO A 9 5.667 1.945 -10.262 1.00 0.00 C ATOM 0 HA PRO A 9 2.456 1.486 -10.685 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.033 -0.483 -11.831 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.027 1.142 -12.487 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.018 -0.144 -10.632 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.312 0.885 -12.019 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.399 1.843 -9.461 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.920 2.852 -10.811 1.00 0.00 H new ATOM 136 N VAL A 10 1.762 -0.510 -9.512 1.00 0.00 N ATOM 137 CA VAL A 10 1.297 -1.648 -8.733 1.00 0.00 C ATOM 138 C VAL A 10 1.297 -2.908 -9.578 1.00 0.00 C ATOM 139 O VAL A 10 0.673 -2.951 -10.640 1.00 0.00 O ATOM 140 CB VAL A 10 -0.131 -1.437 -8.188 1.00 0.00 C ATOM 141 CG1 VAL A 10 -0.546 -2.605 -7.305 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.234 -0.135 -7.425 1.00 0.00 C ATOM 0 H VAL A 10 1.034 -0.037 -10.047 1.00 0.00 H new ATOM 0 HA VAL A 10 1.985 -1.748 -7.894 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.811 -1.386 -9.038 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.556 -2.437 -6.931 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.523 -3.527 -7.886 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.143 -2.689 -6.465 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.251 -0.011 -7.052 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.461 -0.149 -6.586 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.013 0.695 -8.087 1.00 0.00 H new ATOM 152 N VAL A 11 1.989 -3.930 -9.109 1.00 0.00 N ATOM 153 CA VAL A 11 1.973 -5.216 -9.772 1.00 0.00 C ATOM 154 C VAL A 11 0.883 -6.081 -9.162 1.00 0.00 C ATOM 155 O VAL A 11 0.905 -6.361 -7.962 1.00 0.00 O ATOM 156 CB VAL A 11 3.328 -5.939 -9.653 1.00 0.00 C ATOM 157 CG1 VAL A 11 3.281 -7.282 -10.367 1.00 0.00 C ATOM 158 CG2 VAL A 11 4.450 -5.071 -10.205 1.00 0.00 C ATOM 0 H VAL A 11 2.569 -3.892 -8.271 1.00 0.00 H new ATOM 0 HA VAL A 11 1.777 -5.047 -10.831 1.00 0.00 H new ATOM 0 HB VAL A 11 3.529 -6.121 -8.597 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.247 -7.778 -10.272 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.507 -7.905 -9.919 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.055 -7.126 -11.422 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.399 -5.600 -10.112 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.258 -4.853 -11.256 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.498 -4.138 -9.644 1.00 0.00 H new ATOM 168 N GLU A 12 -0.086 -6.470 -9.969 1.00 0.00 N ATOM 169 CA GLU A 12 -1.169 -7.304 -9.487 1.00 0.00 C ATOM 170 C GLU A 12 -0.858 -8.763 -9.737 1.00 0.00 C ATOM 171 O GLU A 12 -0.824 -9.225 -10.878 1.00 0.00 O ATOM 172 CB GLU A 12 -2.492 -6.921 -10.135 1.00 0.00 C ATOM 173 CG GLU A 12 -2.898 -5.495 -9.839 1.00 0.00 C ATOM 174 CD GLU A 12 -4.336 -5.214 -10.198 1.00 0.00 C ATOM 175 OE1 GLU A 12 -4.645 -5.100 -11.401 1.00 0.00 O ATOM 176 OE2 GLU A 12 -5.166 -5.116 -9.271 1.00 0.00 O ATOM 0 H GLU A 12 -0.145 -6.223 -10.957 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.266 -7.144 -8.413 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.415 -7.056 -11.214 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.272 -7.596 -9.784 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.745 -5.290 -8.779 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.250 -4.815 -10.392 1.00 0.00 H new ATOM 183 N VAL A 13 -0.624 -9.472 -8.657 1.00 0.00 N ATOM 184 CA VAL A 13 -0.258 -10.876 -8.714 1.00 0.00 C ATOM 185 C VAL A 13 -1.162 -11.716 -7.818 1.00 0.00 C ATOM 186 O VAL A 13 -2.109 -11.197 -7.222 1.00 0.00 O ATOM 187 CB VAL A 13 1.216 -11.085 -8.301 1.00 0.00 C ATOM 188 CG1 VAL A 13 2.145 -10.739 -9.453 1.00 0.00 C ATOM 189 CG2 VAL A 13 1.554 -10.244 -7.076 1.00 0.00 C ATOM 0 H VAL A 13 -0.681 -9.095 -7.711 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.384 -11.200 -9.747 1.00 0.00 H new ATOM 0 HB VAL A 13 1.355 -12.136 -8.047 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.179 -10.892 -9.145 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.922 -11.380 -10.306 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.001 -9.696 -9.736 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.596 -10.405 -6.801 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.397 -9.190 -7.304 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.910 -10.535 -6.246 1.00 0.00 H new ATOM 199 N ASP A 14 -0.868 -13.005 -7.722 1.00 0.00 N ATOM 200 CA ASP A 14 -1.630 -13.896 -6.869 1.00 0.00 C ATOM 201 C ASP A 14 -1.048 -13.824 -5.475 1.00 0.00 C ATOM 202 O ASP A 14 -1.752 -13.989 -4.479 1.00 0.00 O ATOM 203 CB ASP A 14 -1.575 -15.331 -7.405 1.00 0.00 C ATOM 204 CG ASP A 14 -2.478 -16.280 -6.641 1.00 0.00 C ATOM 205 OD1 ASP A 14 -3.705 -16.250 -6.871 1.00 0.00 O ATOM 206 OD2 ASP A 14 -1.963 -17.072 -5.821 1.00 0.00 O ATOM 0 H ASP A 14 -0.104 -13.455 -8.227 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.677 -13.593 -6.851 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.861 -15.332 -8.457 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.548 -15.694 -7.354 1.00 0.00 H new ATOM 211 N GLU A 15 0.254 -13.551 -5.434 1.00 0.00 N ATOM 212 CA GLU A 15 0.968 -13.313 -4.198 1.00 0.00 C ATOM 213 C GLU A 15 2.426 -12.988 -4.491 1.00 0.00 C ATOM 214 O GLU A 15 2.855 -13.039 -5.646 1.00 0.00 O ATOM 215 CB GLU A 15 0.837 -14.505 -3.257 1.00 0.00 C ATOM 216 CG GLU A 15 1.503 -15.777 -3.741 1.00 0.00 C ATOM 217 CD GLU A 15 1.246 -16.925 -2.794 1.00 0.00 C ATOM 218 OE1 GLU A 15 2.045 -17.115 -1.851 1.00 0.00 O ATOM 219 OE2 GLU A 15 0.226 -17.624 -2.962 1.00 0.00 O ATOM 0 H GLU A 15 0.840 -13.490 -6.267 1.00 0.00 H new ATOM 0 HA GLU A 15 0.524 -12.454 -3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.262 -14.235 -2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.222 -14.706 -3.094 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.130 -16.031 -4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.577 -15.615 -3.836 1.00 0.00 H new ATOM 226 N LEU A 16 3.179 -12.652 -3.457 1.00 0.00 N ATOM 227 CA LEU A 16 4.549 -12.197 -3.626 1.00 0.00 C ATOM 228 C LEU A 16 5.462 -13.345 -4.030 1.00 0.00 C ATOM 229 O LEU A 16 5.178 -14.508 -3.741 1.00 0.00 O ATOM 230 CB LEU A 16 5.072 -11.567 -2.330 1.00 0.00 C ATOM 231 CG LEU A 16 4.328 -10.326 -1.826 1.00 0.00 C ATOM 232 CD1 LEU A 16 3.914 -9.431 -2.974 1.00 0.00 C ATOM 233 CD2 LEU A 16 3.130 -10.710 -0.981 1.00 0.00 C ATOM 0 H LEU A 16 2.863 -12.686 -2.488 1.00 0.00 H new ATOM 0 HA LEU A 16 4.551 -11.449 -4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.043 -12.324 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.119 -11.301 -2.478 1.00 0.00 H new ATOM 0 HG LEU A 16 5.017 -9.764 -1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.388 -8.559 -2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.800 -9.107 -3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.255 -9.982 -3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.623 -9.808 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.442 -11.309 -1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.463 -11.289 -0.120 1.00 0.00 H new ATOM 245 N PRO A 17 6.564 -13.033 -4.727 1.00 0.00 N ATOM 246 CA PRO A 17 7.578 -14.024 -5.060 1.00 0.00 C ATOM 247 C PRO A 17 8.426 -14.383 -3.846 1.00 0.00 C ATOM 248 O PRO A 17 8.299 -13.768 -2.780 1.00 0.00 O ATOM 249 CB PRO A 17 8.425 -13.327 -6.125 1.00 0.00 C ATOM 250 CG PRO A 17 8.270 -11.875 -5.849 1.00 0.00 C ATOM 251 CD PRO A 17 6.900 -11.695 -5.254 1.00 0.00 C ATOM 0 HA PRO A 17 7.146 -14.964 -5.403 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.470 -13.632 -6.061 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.081 -13.577 -7.129 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.040 -11.527 -5.161 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.374 -11.293 -6.765 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.903 -10.944 -4.464 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.179 -11.368 -6.003 1.00 0.00 H new ATOM 259 N GLU A 18 9.282 -15.378 -4.007 1.00 0.00 N ATOM 260 CA GLU A 18 10.146 -15.825 -2.928 1.00 0.00 C ATOM 261 C GLU A 18 11.056 -14.692 -2.464 1.00 0.00 C ATOM 262 O GLU A 18 11.580 -13.924 -3.277 1.00 0.00 O ATOM 263 CB GLU A 18 10.970 -17.029 -3.377 1.00 0.00 C ATOM 264 CG GLU A 18 11.805 -16.769 -4.614 1.00 0.00 C ATOM 265 CD GLU A 18 12.511 -18.010 -5.104 1.00 0.00 C ATOM 266 OE1 GLU A 18 13.611 -18.309 -4.598 1.00 0.00 O ATOM 267 OE2 GLU A 18 11.967 -18.694 -5.995 1.00 0.00 O ATOM 0 H GLU A 18 9.397 -15.894 -4.879 1.00 0.00 H new ATOM 0 HA GLU A 18 9.523 -16.126 -2.086 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.628 -17.332 -2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.299 -17.865 -3.572 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.164 -16.382 -5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.543 -15.997 -4.395 1.00 0.00 H new ATOM 274 N GLY A 19 11.227 -14.588 -1.159 1.00 0.00 N ATOM 275 CA GLY A 19 11.992 -13.499 -0.591 1.00 0.00 C ATOM 276 C GLY A 19 11.101 -12.478 0.087 1.00 0.00 C ATOM 277 O GLY A 19 11.583 -11.585 0.785 1.00 0.00 O ATOM 0 H GLY A 19 10.847 -15.243 -0.476 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.706 -13.895 0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.570 -13.012 -1.377 1.00 0.00 H new ATOM 281 N TYR A 20 9.796 -12.606 -0.121 1.00 0.00 N ATOM 282 CA TYR A 20 8.833 -11.691 0.478 1.00 0.00 C ATOM 283 C TYR A 20 8.113 -12.329 1.659 1.00 0.00 C ATOM 284 O TYR A 20 7.954 -13.548 1.721 1.00 0.00 O ATOM 285 CB TYR A 20 7.817 -11.224 -0.558 1.00 0.00 C ATOM 286 CG TYR A 20 8.354 -10.180 -1.506 1.00 0.00 C ATOM 287 CD1 TYR A 20 8.253 -8.831 -1.200 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.962 -10.535 -2.701 1.00 0.00 C ATOM 289 CE1 TYR A 20 8.740 -7.866 -2.056 1.00 0.00 C ATOM 290 CE2 TYR A 20 9.455 -9.575 -3.562 1.00 0.00 C ATOM 291 CZ TYR A 20 9.341 -8.242 -3.235 1.00 0.00 C ATOM 292 OH TYR A 20 9.841 -7.282 -4.084 1.00 0.00 O ATOM 0 H TYR A 20 9.380 -13.335 -0.700 1.00 0.00 H new ATOM 0 HA TYR A 20 9.390 -10.829 0.845 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.477 -12.085 -1.134 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.945 -10.820 -0.043 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.784 -8.531 -0.274 1.00 0.00 H new ATOM 0 HD2 TYR A 20 9.051 -11.579 -2.962 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.650 -6.820 -1.802 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.928 -9.868 -4.488 1.00 0.00 H new ATOM 0 HH TYR A 20 10.234 -7.714 -4.871 1.00 0.00 H new ATOM 302 N ASP A 21 7.675 -11.490 2.586 1.00 0.00 N ATOM 303 CA ASP A 21 7.030 -11.956 3.807 1.00 0.00 C ATOM 304 C ASP A 21 5.562 -11.548 3.819 1.00 0.00 C ATOM 305 O ASP A 21 5.229 -10.382 4.058 1.00 0.00 O ATOM 306 CB ASP A 21 7.746 -11.376 5.028 1.00 0.00 C ATOM 307 CG ASP A 21 7.251 -11.974 6.329 1.00 0.00 C ATOM 308 OD1 ASP A 21 6.281 -11.443 6.903 1.00 0.00 O ATOM 309 OD2 ASP A 21 7.838 -12.976 6.790 1.00 0.00 O ATOM 0 H ASP A 21 7.755 -10.476 2.516 1.00 0.00 H new ATOM 0 HA ASP A 21 7.089 -13.044 3.843 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.817 -11.553 4.935 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.602 -10.296 5.050 1.00 0.00 H new ATOM 314 N ARG A 22 4.688 -12.507 3.555 1.00 0.00 N ATOM 315 CA ARG A 22 3.262 -12.237 3.454 1.00 0.00 C ATOM 316 C ARG A 22 2.517 -12.744 4.685 1.00 0.00 C ATOM 317 O ARG A 22 2.927 -13.717 5.317 1.00 0.00 O ATOM 318 CB ARG A 22 2.685 -12.882 2.186 1.00 0.00 C ATOM 319 CG ARG A 22 1.185 -12.680 2.038 1.00 0.00 C ATOM 320 CD ARG A 22 0.682 -13.015 0.644 1.00 0.00 C ATOM 321 NE ARG A 22 0.904 -14.414 0.293 1.00 0.00 N ATOM 322 CZ ARG A 22 0.085 -15.411 0.637 1.00 0.00 C ATOM 323 NH1 ARG A 22 -0.997 -15.168 1.369 1.00 0.00 N ATOM 324 NH2 ARG A 22 0.350 -16.649 0.248 1.00 0.00 N ATOM 0 H ARG A 22 4.943 -13.483 3.406 1.00 0.00 H new ATOM 0 HA ARG A 22 3.128 -11.157 3.396 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.189 -12.466 1.314 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.901 -13.950 2.199 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.665 -13.302 2.766 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.938 -11.644 2.270 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.383 -12.792 0.582 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.184 -12.377 -0.083 1.00 0.00 H new ATOM 0 HE ARG A 22 1.737 -14.645 -0.249 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.205 -14.216 1.671 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.619 -15.933 1.629 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.179 -16.840 -0.314 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.275 -17.411 0.511 1.00 0.00 H new ATOM 338 N SER A 23 1.435 -12.064 5.031 1.00 0.00 N ATOM 339 CA SER A 23 0.581 -12.492 6.122 1.00 0.00 C ATOM 340 C SER A 23 -0.602 -13.287 5.576 1.00 0.00 C ATOM 341 O SER A 23 -1.570 -12.663 5.093 1.00 0.00 O ATOM 342 CB SER A 23 0.092 -11.281 6.918 1.00 0.00 C ATOM 343 OG SER A 23 1.183 -10.544 7.449 1.00 0.00 O ATOM 344 OXT SER A 23 -0.551 -14.534 5.623 1.00 0.00 O ATOM 0 H SER A 23 1.128 -11.209 4.567 1.00 0.00 H new ATOM 0 HA SER A 23 1.155 -13.134 6.791 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.507 -10.637 6.275 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.556 -11.613 7.729 1.00 0.00 H new ATOM 0 HG SER A 23 0.844 -9.774 7.952 1.00 0.00 H new TER 350 SER A 23 ATOM 351 N PRO B 24 -23.942 12.830 -7.490 1.00 0.00 N ATOM 352 CA PRO B 24 -23.343 14.152 -7.198 1.00 0.00 C ATOM 353 C PRO B 24 -22.827 14.221 -5.762 1.00 0.00 C ATOM 354 O PRO B 24 -21.623 14.125 -5.523 1.00 0.00 O ATOM 355 CB PRO B 24 -24.388 15.232 -7.445 1.00 0.00 C ATOM 356 CG PRO B 24 -25.492 14.498 -8.122 1.00 0.00 C ATOM 357 CD PRO B 24 -25.389 13.063 -7.660 1.00 0.00 C ATOM 0 HA PRO B 24 -22.489 14.309 -7.857 1.00 0.00 H new ATOM 0 HB2 PRO B 24 -24.722 15.688 -6.513 1.00 0.00 H new ATOM 0 HB3 PRO B 24 -23.996 16.034 -8.071 1.00 0.00 H new ATOM 0 HG2 PRO B 24 -26.461 14.923 -7.859 1.00 0.00 H new ATOM 0 HG3 PRO B 24 -25.398 14.566 -9.206 1.00 0.00 H new ATOM 0 HD2 PRO B 24 -25.928 12.908 -6.725 1.00 0.00 H new ATOM 0 HD3 PRO B 24 -25.817 12.379 -8.393 1.00 0.00 H new ATOM 367 N HIS B 25 -23.738 14.369 -4.805 1.00 0.00 N ATOM 368 CA HIS B 25 -23.361 14.441 -3.398 1.00 0.00 C ATOM 369 C HIS B 25 -24.347 13.659 -2.535 1.00 0.00 C ATOM 370 O HIS B 25 -24.796 14.127 -1.488 1.00 0.00 O ATOM 371 CB HIS B 25 -23.252 15.902 -2.923 1.00 0.00 C ATOM 372 CG HIS B 25 -24.505 16.719 -3.078 1.00 0.00 C ATOM 373 ND1 HIS B 25 -25.390 16.944 -2.046 1.00 0.00 N ATOM 374 CD2 HIS B 25 -25.005 17.382 -4.146 1.00 0.00 C ATOM 375 CE1 HIS B 25 -26.377 17.709 -2.473 1.00 0.00 C ATOM 376 NE2 HIS B 25 -26.167 17.990 -3.745 1.00 0.00 N ATOM 0 H HIS B 25 -24.741 14.441 -4.978 1.00 0.00 H new ATOM 0 HA HIS B 25 -22.377 13.985 -3.291 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -22.962 15.905 -1.872 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -22.449 16.389 -3.476 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -24.569 17.425 -5.133 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -27.215 18.048 -1.881 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -26.770 18.565 -4.333 1.00 0.00 H new ATOM 385 N GLU B 26 -24.680 12.459 -2.985 1.00 0.00 N ATOM 386 CA GLU B 26 -25.575 11.584 -2.243 1.00 0.00 C ATOM 387 C GLU B 26 -24.783 10.758 -1.239 1.00 0.00 C ATOM 388 O GLU B 26 -23.639 11.085 -0.916 1.00 0.00 O ATOM 389 CB GLU B 26 -26.327 10.655 -3.201 1.00 0.00 C ATOM 390 CG GLU B 26 -27.226 11.386 -4.181 1.00 0.00 C ATOM 391 CD GLU B 26 -28.290 12.209 -3.488 1.00 0.00 C ATOM 392 OE1 GLU B 26 -27.985 13.337 -3.052 1.00 0.00 O ATOM 393 OE2 GLU B 26 -29.437 11.732 -3.372 1.00 0.00 O ATOM 0 H GLU B 26 -24.342 12.067 -3.864 1.00 0.00 H new ATOM 0 HA GLU B 26 -26.299 12.199 -1.708 1.00 0.00 H new ATOM 0 HB2 GLU B 26 -25.604 10.061 -3.759 1.00 0.00 H new ATOM 0 HB3 GLU B 26 -26.930 9.958 -2.619 1.00 0.00 H new ATOM 0 HG2 GLU B 26 -26.619 12.038 -4.809 1.00 0.00 H new ATOM 0 HG3 GLU B 26 -27.704 10.662 -4.841 1.00 0.00 H new ATOM 400 N GLN B 27 -25.391 9.698 -0.738 1.00 0.00 N ATOM 401 CA GLN B 27 -24.690 8.784 0.146 1.00 0.00 C ATOM 402 C GLN B 27 -23.981 7.720 -0.672 1.00 0.00 C ATOM 403 O GLN B 27 -24.492 7.265 -1.699 1.00 0.00 O ATOM 404 CB GLN B 27 -25.645 8.134 1.143 1.00 0.00 C ATOM 405 CG GLN B 27 -26.242 9.112 2.140 1.00 0.00 C ATOM 406 CD GLN B 27 -27.093 8.426 3.191 1.00 0.00 C ATOM 407 OE1 GLN B 27 -27.691 7.379 2.940 1.00 0.00 O ATOM 408 NE2 GLN B 27 -27.153 9.010 4.375 1.00 0.00 N ATOM 0 H GLN B 27 -26.362 9.450 -0.926 1.00 0.00 H new ATOM 0 HA GLN B 27 -23.954 9.354 0.713 1.00 0.00 H new ATOM 0 HB2 GLN B 27 -26.453 7.648 0.596 1.00 0.00 H new ATOM 0 HB3 GLN B 27 -25.113 7.353 1.687 1.00 0.00 H new ATOM 0 HG2 GLN B 27 -25.438 9.661 2.630 1.00 0.00 H new ATOM 0 HG3 GLN B 27 -26.849 9.844 1.607 1.00 0.00 H new ATOM 0 HE21 GLN B 27 -26.643 9.877 4.542 1.00 0.00 H new ATOM 0 HE22 GLN B 27 -27.710 8.594 5.121 1.00 0.00 H new ATOM 417 N GLN B 28 -22.801 7.340 -0.222 1.00 0.00 N ATOM 418 CA GLN B 28 -21.992 6.369 -0.926 1.00 0.00 C ATOM 419 C GLN B 28 -21.979 5.045 -0.177 1.00 0.00 C ATOM 420 O GLN B 28 -22.332 4.983 1.004 1.00 0.00 O ATOM 421 CB GLN B 28 -20.560 6.885 -1.110 1.00 0.00 C ATOM 422 CG GLN B 28 -19.888 7.338 0.180 1.00 0.00 C ATOM 423 CD GLN B 28 -20.381 8.679 0.701 1.00 0.00 C ATOM 424 OE1 GLN B 28 -20.762 9.573 -0.199 1.00 0.00 O flip ATOM 425 NE2 GLN B 28 -20.408 8.913 1.906 1.00 0.00 N flip ATOM 0 H GLN B 28 -22.380 7.694 0.637 1.00 0.00 H new ATOM 0 HA GLN B 28 -22.432 6.211 -1.911 1.00 0.00 H new ATOM 0 HB2 GLN B 28 -19.958 6.098 -1.563 1.00 0.00 H new ATOM 0 HB3 GLN B 28 -20.574 7.719 -1.811 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -20.051 6.581 0.947 1.00 0.00 H new ATOM 0 HG3 GLN B 28 -18.812 7.398 0.015 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -20.107 8.200 2.571 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -20.731 9.820 2.242 1.00 0.00 H new ATOM 434 N GLU B 29 -21.573 3.995 -0.866 1.00 0.00 N ATOM 435 CA GLU B 29 -21.548 2.659 -0.296 1.00 0.00 C ATOM 436 C GLU B 29 -20.416 1.826 -0.894 1.00 0.00 C ATOM 437 O GLU B 29 -19.981 0.840 -0.302 1.00 0.00 O ATOM 438 CB GLU B 29 -22.896 1.980 -0.537 1.00 0.00 C ATOM 439 CG GLU B 29 -23.229 1.790 -2.008 1.00 0.00 C ATOM 440 CD GLU B 29 -24.632 1.268 -2.227 1.00 0.00 C ATOM 441 OE1 GLU B 29 -24.877 0.073 -1.961 1.00 0.00 O ATOM 442 OE2 GLU B 29 -25.498 2.049 -2.671 1.00 0.00 O ATOM 0 H GLU B 29 -21.252 4.042 -1.833 1.00 0.00 H new ATOM 0 HA GLU B 29 -21.368 2.739 0.776 1.00 0.00 H new ATOM 0 HB2 GLU B 29 -22.896 1.007 -0.045 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -23.681 2.574 -0.069 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -23.115 2.741 -2.528 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -22.514 1.096 -2.451 1.00 0.00 H new ATOM 449 N ASP B 30 -19.926 2.241 -2.060 1.00 0.00 N ATOM 450 CA ASP B 30 -18.889 1.494 -2.775 1.00 0.00 C ATOM 451 C ASP B 30 -17.507 1.815 -2.219 1.00 0.00 C ATOM 452 O ASP B 30 -16.513 1.184 -2.589 1.00 0.00 O ATOM 453 CB ASP B 30 -18.925 1.831 -4.267 1.00 0.00 C ATOM 454 CG ASP B 30 -18.377 3.215 -4.565 1.00 0.00 C ATOM 455 OD1 ASP B 30 -19.002 4.213 -4.149 1.00 0.00 O ATOM 456 OD2 ASP B 30 -17.316 3.313 -5.217 1.00 0.00 O ATOM 0 H ASP B 30 -20.230 3.092 -2.532 1.00 0.00 H new ATOM 0 HA ASP B 30 -19.087 0.431 -2.637 1.00 0.00 H new ATOM 0 HB2 ASP B 30 -18.347 1.089 -4.818 1.00 0.00 H new ATOM 0 HB3 ASP B 30 -19.952 1.766 -4.626 1.00 0.00 H new ATOM 461 N VAL B 31 -17.464 2.797 -1.327 1.00 0.00 N ATOM 462 CA VAL B 31 -16.223 3.272 -0.735 1.00 0.00 C ATOM 463 C VAL B 31 -15.458 2.140 -0.060 1.00 0.00 C ATOM 464 O VAL B 31 -15.964 1.484 0.852 1.00 0.00 O ATOM 465 CB VAL B 31 -16.492 4.384 0.299 1.00 0.00 C ATOM 466 CG1 VAL B 31 -15.193 4.895 0.905 1.00 0.00 C ATOM 467 CG2 VAL B 31 -17.271 5.522 -0.335 1.00 0.00 C ATOM 0 H VAL B 31 -18.294 3.288 -0.993 1.00 0.00 H new ATOM 0 HA VAL B 31 -15.618 3.673 -1.548 1.00 0.00 H new ATOM 0 HB VAL B 31 -17.092 3.959 1.103 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -15.413 5.678 1.630 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -14.676 4.074 1.403 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -14.558 5.299 0.117 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -17.452 6.298 0.409 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -16.697 5.939 -1.162 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -18.224 5.147 -0.708 1.00 0.00 H new ATOM 477 N PRO B 32 -14.228 1.888 -0.517 1.00 0.00 N ATOM 478 CA PRO B 32 -13.368 0.870 0.074 1.00 0.00 C ATOM 479 C PRO B 32 -12.842 1.277 1.446 1.00 0.00 C ATOM 480 O PRO B 32 -12.301 2.369 1.618 1.00 0.00 O ATOM 481 CB PRO B 32 -12.220 0.744 -0.926 1.00 0.00 C ATOM 482 CG PRO B 32 -12.183 2.046 -1.647 1.00 0.00 C ATOM 483 CD PRO B 32 -13.594 2.567 -1.658 1.00 0.00 C ATOM 0 HA PRO B 32 -13.904 -0.064 0.243 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -11.276 0.549 -0.418 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -12.388 -0.083 -1.616 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -11.514 2.747 -1.148 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -11.809 1.917 -2.663 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -13.621 3.651 -1.544 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -14.100 2.332 -2.595 1.00 0.00 H new ATOM 491 N GLU B 33 -12.998 0.388 2.415 1.00 0.00 N ATOM 492 CA GLU B 33 -12.509 0.623 3.756 1.00 0.00 C ATOM 493 C GLU B 33 -11.220 -0.152 3.964 1.00 0.00 C ATOM 494 O GLU B 33 -11.230 -1.368 4.163 1.00 0.00 O ATOM 495 CB GLU B 33 -13.557 0.215 4.795 1.00 0.00 C ATOM 496 CG GLU B 33 -13.125 0.501 6.222 1.00 0.00 C ATOM 497 CD GLU B 33 -14.202 0.189 7.239 1.00 0.00 C ATOM 498 OE1 GLU B 33 -15.348 0.644 7.058 1.00 0.00 O ATOM 499 OE2 GLU B 33 -13.904 -0.499 8.238 1.00 0.00 O ATOM 0 H GLU B 33 -13.465 -0.510 2.291 1.00 0.00 H new ATOM 0 HA GLU B 33 -12.312 1.688 3.882 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -14.488 0.744 4.591 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -13.767 -0.850 4.692 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -12.235 -0.086 6.451 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -12.845 1.551 6.308 1.00 0.00 H new ATOM 506 N TYR B 34 -10.113 0.550 3.862 1.00 0.00 N ATOM 507 CA TYR B 34 -8.800 -0.056 4.014 1.00 0.00 C ATOM 508 C TYR B 34 -8.354 -0.088 5.468 1.00 0.00 C ATOM 509 O TYR B 34 -8.802 0.715 6.291 1.00 0.00 O ATOM 510 CB TYR B 34 -7.770 0.703 3.188 1.00 0.00 C ATOM 511 CG TYR B 34 -8.024 0.668 1.702 1.00 0.00 C ATOM 512 CD1 TYR B 34 -7.818 -0.496 0.973 1.00 0.00 C ATOM 513 CD2 TYR B 34 -8.467 1.797 1.027 1.00 0.00 C ATOM 514 CE1 TYR B 34 -8.042 -0.532 -0.389 1.00 0.00 C ATOM 515 CE2 TYR B 34 -8.696 1.769 -0.333 1.00 0.00 C ATOM 516 CZ TYR B 34 -8.483 0.603 -1.037 1.00 0.00 C ATOM 517 OH TYR B 34 -8.714 0.571 -2.391 1.00 0.00 O ATOM 0 H TYR B 34 -10.092 1.552 3.672 1.00 0.00 H new ATOM 0 HA TYR B 34 -8.876 -1.084 3.659 1.00 0.00 H new ATOM 0 HB2 TYR B 34 -7.750 1.742 3.518 1.00 0.00 H new ATOM 0 HB3 TYR B 34 -6.783 0.286 3.387 1.00 0.00 H new ATOM 0 HD1 TYR B 34 -7.477 -1.387 1.479 1.00 0.00 H new ATOM 0 HD2 TYR B 34 -8.635 2.712 1.575 1.00 0.00 H new ATOM 0 HE1 TYR B 34 -7.873 -1.443 -0.944 1.00 0.00 H new ATOM 0 HE2 TYR B 34 -9.040 2.656 -0.844 1.00 0.00 H new ATOM 0 HH TYR B 34 -7.954 0.148 -2.843 1.00 0.00 H new ATOM 527 N GLU B 35 -7.461 -1.019 5.766 1.00 0.00 N ATOM 528 CA GLU B 35 -6.866 -1.135 7.083 1.00 0.00 C ATOM 529 C GLU B 35 -5.350 -1.224 6.936 1.00 0.00 C ATOM 530 O GLU B 35 -4.833 -2.147 6.300 1.00 0.00 O ATOM 531 CB GLU B 35 -7.414 -2.366 7.808 1.00 0.00 C ATOM 532 CG GLU B 35 -7.105 -2.388 9.297 1.00 0.00 C ATOM 533 CD GLU B 35 -7.696 -3.595 10.000 1.00 0.00 C ATOM 534 OE1 GLU B 35 -8.906 -3.575 10.309 1.00 0.00 O ATOM 535 OE2 GLU B 35 -6.958 -4.571 10.249 1.00 0.00 O ATOM 0 H GLU B 35 -7.130 -1.715 5.098 1.00 0.00 H new ATOM 0 HA GLU B 35 -7.118 -0.257 7.678 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -8.494 -2.407 7.670 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -7.000 -3.262 7.347 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -6.024 -2.383 9.440 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -7.492 -1.479 9.758 1.00 0.00 H new ATOM 542 N VAL B 36 -4.655 -0.248 7.498 1.00 0.00 N ATOM 543 CA VAL B 36 -3.206 -0.130 7.352 1.00 0.00 C ATOM 544 C VAL B 36 -2.464 -0.755 8.531 1.00 0.00 C ATOM 545 O VAL B 36 -2.870 -0.611 9.685 1.00 0.00 O ATOM 546 CB VAL B 36 -2.780 1.348 7.224 1.00 0.00 C ATOM 547 CG1 VAL B 36 -1.271 1.468 7.052 1.00 0.00 C ATOM 548 CG2 VAL B 36 -3.509 2.020 6.068 1.00 0.00 C ATOM 0 H VAL B 36 -5.075 0.486 8.068 1.00 0.00 H new ATOM 0 HA VAL B 36 -2.941 -0.669 6.442 1.00 0.00 H new ATOM 0 HB VAL B 36 -3.056 1.859 8.146 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -0.997 2.519 6.964 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -0.770 1.034 7.917 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -0.964 0.937 6.151 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -3.194 3.061 5.995 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -3.271 1.503 5.138 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -4.584 1.977 6.242 1.00 0.00 H new ATOM 558 N LYS B 37 -1.378 -1.455 8.225 1.00 0.00 N ATOM 559 CA LYS B 37 -0.504 -2.030 9.231 1.00 0.00 C ATOM 560 C LYS B 37 0.931 -1.687 8.864 1.00 0.00 C ATOM 561 O LYS B 37 1.238 -1.496 7.688 1.00 0.00 O ATOM 562 CB LYS B 37 -0.665 -3.559 9.322 1.00 0.00 C ATOM 563 CG LYS B 37 -2.081 -4.041 9.620 1.00 0.00 C ATOM 564 CD LYS B 37 -2.962 -4.012 8.379 1.00 0.00 C ATOM 565 CE LYS B 37 -4.382 -4.442 8.688 1.00 0.00 C ATOM 566 NZ LYS B 37 -4.482 -5.888 9.005 1.00 0.00 N ATOM 0 H LYS B 37 -1.081 -1.638 7.267 1.00 0.00 H new ATOM 0 HA LYS B 37 -0.768 -1.617 10.205 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -0.338 -4.000 8.381 1.00 0.00 H new ATOM 0 HB3 LYS B 37 0.001 -3.934 10.099 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -2.044 -5.056 10.015 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -2.523 -3.414 10.394 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -2.970 -3.005 7.962 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -2.540 -4.669 7.618 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -4.759 -3.862 9.530 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -5.021 -4.216 7.834 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -5.047 -6.365 8.274 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -3.529 -6.304 9.033 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -4.940 -6.010 9.931 1.00 0.00 H new ATOM 580 N MET B 38 1.799 -1.591 9.850 1.00 0.00 N ATOM 581 CA MET B 38 3.187 -1.237 9.599 1.00 0.00 C ATOM 582 C MET B 38 4.115 -2.183 10.346 1.00 0.00 C ATOM 583 O MET B 38 3.823 -2.577 11.478 1.00 0.00 O ATOM 584 CB MET B 38 3.441 0.200 10.029 1.00 0.00 C ATOM 585 CG MET B 38 4.430 0.914 9.137 1.00 0.00 C ATOM 586 SD MET B 38 4.338 2.704 9.286 1.00 0.00 S ATOM 587 CE MET B 38 4.873 3.168 7.646 1.00 0.00 C ATOM 0 H MET B 38 1.572 -1.752 10.831 1.00 0.00 H new ATOM 0 HA MET B 38 3.387 -1.326 8.531 1.00 0.00 H new ATOM 0 HB2 MET B 38 2.498 0.746 10.028 1.00 0.00 H new ATOM 0 HB3 MET B 38 3.812 0.207 11.054 1.00 0.00 H new ATOM 0 HG2 MET B 38 5.439 0.585 9.385 1.00 0.00 H new ATOM 0 HG3 MET B 38 4.248 0.631 8.100 1.00 0.00 H new ATOM 0 HE1 MET B 38 5.099 4.234 7.625 1.00 0.00 H new ATOM 0 HE2 MET B 38 5.767 2.603 7.381 1.00 0.00 H new ATOM 0 HE3 MET B 38 4.081 2.951 6.930 1.00 0.00 H new ATOM 597 N LYS B 39 5.227 -2.553 9.725 1.00 0.00 N ATOM 598 CA LYS B 39 6.138 -3.522 10.329 1.00 0.00 C ATOM 599 C LYS B 39 7.587 -3.182 9.990 1.00 0.00 C ATOM 600 O LYS B 39 7.904 -2.852 8.849 1.00 0.00 O ATOM 601 CB LYS B 39 5.784 -4.937 9.847 1.00 0.00 C ATOM 602 CG LYS B 39 6.215 -6.056 10.791 1.00 0.00 C ATOM 603 CD LYS B 39 7.693 -6.383 10.660 1.00 0.00 C ATOM 604 CE LYS B 39 8.122 -7.458 11.648 1.00 0.00 C ATOM 605 NZ LYS B 39 7.998 -7.004 13.059 1.00 0.00 N ATOM 0 H LYS B 39 5.520 -2.203 8.813 1.00 0.00 H new ATOM 0 HA LYS B 39 6.029 -3.482 11.413 1.00 0.00 H new ATOM 0 HB2 LYS B 39 4.706 -4.998 9.701 1.00 0.00 H new ATOM 0 HB3 LYS B 39 6.247 -5.102 8.874 1.00 0.00 H new ATOM 0 HG2 LYS B 39 5.999 -5.765 11.819 1.00 0.00 H new ATOM 0 HG3 LYS B 39 5.627 -6.950 10.583 1.00 0.00 H new ATOM 0 HD2 LYS B 39 7.903 -6.718 9.644 1.00 0.00 H new ATOM 0 HD3 LYS B 39 8.281 -5.481 10.826 1.00 0.00 H new ATOM 0 HE2 LYS B 39 7.513 -8.350 11.500 1.00 0.00 H new ATOM 0 HE3 LYS B 39 9.155 -7.741 11.448 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 8.499 -7.668 13.683 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 8.415 -6.056 13.157 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 6.993 -6.969 13.326 1.00 0.00 H new ATOM 619 N ARG B 40 8.454 -3.257 10.992 1.00 0.00 N ATOM 620 CA ARG B 40 9.871 -2.957 10.815 1.00 0.00 C ATOM 621 C ARG B 40 10.680 -4.232 10.641 1.00 0.00 C ATOM 622 O ARG B 40 10.565 -5.168 11.436 1.00 0.00 O ATOM 623 CB ARG B 40 10.421 -2.160 12.003 1.00 0.00 C ATOM 624 CG ARG B 40 10.052 -0.687 11.981 1.00 0.00 C ATOM 625 CD ARG B 40 8.564 -0.471 12.180 1.00 0.00 C ATOM 626 NE ARG B 40 8.172 0.911 11.919 1.00 0.00 N ATOM 627 CZ ARG B 40 6.943 1.388 12.103 1.00 0.00 C ATOM 628 NH1 ARG B 40 5.995 0.619 12.629 1.00 0.00 N ATOM 629 NH2 ARG B 40 6.666 2.640 11.773 1.00 0.00 N ATOM 0 H ARG B 40 8.199 -3.525 11.943 1.00 0.00 H new ATOM 0 HA ARG B 40 9.963 -2.352 9.913 1.00 0.00 H new ATOM 0 HB2 ARG B 40 10.051 -2.603 12.928 1.00 0.00 H new ATOM 0 HB3 ARG B 40 11.507 -2.252 12.018 1.00 0.00 H new ATOM 0 HG2 ARG B 40 10.602 -0.164 12.763 1.00 0.00 H new ATOM 0 HG3 ARG B 40 10.358 -0.251 11.030 1.00 0.00 H new ATOM 0 HD2 ARG B 40 8.009 -1.136 11.518 1.00 0.00 H new ATOM 0 HD3 ARG B 40 8.292 -0.738 13.201 1.00 0.00 H new ATOM 0 HE ARG B 40 8.886 1.552 11.573 1.00 0.00 H new ATOM 0 HH11 ARG B 40 6.207 -0.343 12.894 1.00 0.00 H new ATOM 0 HH12 ARG B 40 5.055 0.991 12.767 1.00 0.00 H new ATOM 0 HH21 ARG B 40 7.394 3.236 11.379 1.00 0.00 H new ATOM 0 HH22 ARG B 40 5.725 3.008 11.913 1.00 0.00 H new ATOM 643 N PHE B 41 11.494 -4.259 9.603 1.00 0.00 N ATOM 644 CA PHE B 41 12.363 -5.397 9.338 1.00 0.00 C ATOM 645 C PHE B 41 13.809 -5.042 9.634 1.00 0.00 C ATOM 646 O PHE B 41 14.230 -3.898 9.449 1.00 0.00 O ATOM 647 CB PHE B 41 12.235 -5.863 7.886 1.00 0.00 C ATOM 648 CG PHE B 41 11.011 -6.693 7.619 1.00 0.00 C ATOM 649 CD1 PHE B 41 9.755 -6.114 7.570 1.00 0.00 C ATOM 650 CD2 PHE B 41 11.123 -8.059 7.414 1.00 0.00 C ATOM 651 CE1 PHE B 41 8.634 -6.882 7.325 1.00 0.00 C ATOM 652 CE2 PHE B 41 10.005 -8.832 7.167 1.00 0.00 C ATOM 653 CZ PHE B 41 8.758 -8.242 7.123 1.00 0.00 C ATOM 0 H PHE B 41 11.574 -3.502 8.924 1.00 0.00 H new ATOM 0 HA PHE B 41 12.051 -6.211 9.993 1.00 0.00 H new ATOM 0 HB2 PHE B 41 12.219 -4.989 7.234 1.00 0.00 H new ATOM 0 HB3 PHE B 41 13.120 -6.442 7.621 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.651 -5.050 7.725 1.00 0.00 H new ATOM 0 HD2 PHE B 41 12.097 -8.525 7.448 1.00 0.00 H new ATOM 0 HE1 PHE B 41 7.659 -6.418 7.291 1.00 0.00 H new ATOM 0 HE2 PHE B 41 10.106 -9.896 7.009 1.00 0.00 H new ATOM 0 HZ PHE B 41 7.881 -8.843 6.931 1.00 0.00 H new ATOM 663 N LYS B 42 14.564 -6.024 10.093 1.00 0.00 N ATOM 664 CA LYS B 42 15.967 -5.824 10.402 1.00 0.00 C ATOM 665 C LYS B 42 16.805 -6.901 9.727 1.00 0.00 C ATOM 666 O LYS B 42 16.882 -8.031 10.205 1.00 0.00 O ATOM 667 CB LYS B 42 16.185 -5.843 11.918 1.00 0.00 C ATOM 668 CG LYS B 42 17.615 -5.533 12.336 1.00 0.00 C ATOM 669 CD LYS B 42 17.763 -5.431 13.851 1.00 0.00 C ATOM 670 CE LYS B 42 17.839 -6.793 14.534 1.00 0.00 C ATOM 671 NZ LYS B 42 16.577 -7.570 14.430 1.00 0.00 N ATOM 0 H LYS B 42 14.226 -6.972 10.260 1.00 0.00 H new ATOM 0 HA LYS B 42 16.279 -4.850 10.024 1.00 0.00 H new ATOM 0 HB2 LYS B 42 15.516 -5.118 12.381 1.00 0.00 H new ATOM 0 HB3 LYS B 42 15.908 -6.824 12.303 1.00 0.00 H new ATOM 0 HG2 LYS B 42 18.279 -6.311 11.959 1.00 0.00 H new ATOM 0 HG3 LYS B 42 17.931 -4.596 11.878 1.00 0.00 H new ATOM 0 HD2 LYS B 42 18.663 -4.862 14.085 1.00 0.00 H new ATOM 0 HD3 LYS B 42 16.919 -4.874 14.257 1.00 0.00 H new ATOM 0 HE2 LYS B 42 18.651 -7.370 14.091 1.00 0.00 H new ATOM 0 HE3 LYS B 42 18.086 -6.652 15.586 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 16.462 -8.160 15.279 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 15.772 -6.916 14.351 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 16.613 -8.179 13.588 1.00 0.00 H new ATOM 685 N GLY B 43 17.410 -6.548 8.603 1.00 0.00 N ATOM 686 CA GLY B 43 18.216 -7.499 7.867 1.00 0.00 C ATOM 687 C GLY B 43 17.423 -8.208 6.789 1.00 0.00 C ATOM 688 O GLY B 43 17.502 -9.431 6.643 1.00 0.00 O ATOM 0 H GLY B 43 17.357 -5.618 8.187 1.00 0.00 H new ATOM 0 HA2 GLY B 43 19.061 -6.982 7.413 1.00 0.00 H new ATOM 0 HA3 GLY B 43 18.627 -8.236 8.557 1.00 0.00 H new ATOM 692 N ALA B 44 16.643 -7.446 6.038 1.00 0.00 N ATOM 693 CA ALA B 44 15.868 -7.998 4.945 1.00 0.00 C ATOM 694 C ALA B 44 16.022 -7.134 3.704 1.00 0.00 C ATOM 695 O ALA B 44 16.588 -6.041 3.772 1.00 0.00 O ATOM 696 CB ALA B 44 14.404 -8.114 5.340 1.00 0.00 C ATOM 0 H ALA B 44 16.532 -6.441 6.169 1.00 0.00 H new ATOM 0 HA ALA B 44 16.242 -8.997 4.719 1.00 0.00 H new ATOM 0 HB1 ALA B 44 13.835 -8.530 4.509 1.00 0.00 H new ATOM 0 HB2 ALA B 44 14.312 -8.769 6.207 1.00 0.00 H new ATOM 0 HB3 ALA B 44 14.015 -7.127 5.588 1.00 0.00 H new ATOM 702 N ALA B 45 15.520 -7.624 2.575 1.00 0.00 N ATOM 703 CA ALA B 45 15.557 -6.872 1.322 1.00 0.00 C ATOM 704 C ALA B 45 14.706 -5.610 1.423 1.00 0.00 C ATOM 705 O ALA B 45 14.840 -4.683 0.624 1.00 0.00 O ATOM 706 CB ALA B 45 15.078 -7.744 0.173 1.00 0.00 C ATOM 0 H ALA B 45 15.081 -8.542 2.500 1.00 0.00 H new ATOM 0 HA ALA B 45 16.587 -6.573 1.130 1.00 0.00 H new ATOM 0 HB1 ALA B 45 15.110 -7.173 -0.755 1.00 0.00 H new ATOM 0 HB2 ALA B 45 15.725 -8.617 0.084 1.00 0.00 H new ATOM 0 HB3 ALA B 45 14.055 -8.068 0.364 1.00 0.00 H new ATOM 712 N TYR B 46 13.840 -5.590 2.420 1.00 0.00 N ATOM 713 CA TYR B 46 12.992 -4.454 2.701 1.00 0.00 C ATOM 714 C TYR B 46 13.105 -4.118 4.177 1.00 0.00 C ATOM 715 O TYR B 46 13.185 -5.011 5.019 1.00 0.00 O ATOM 716 CB TYR B 46 11.540 -4.755 2.306 1.00 0.00 C ATOM 717 CG TYR B 46 11.178 -6.216 2.430 1.00 0.00 C ATOM 718 CD1 TYR B 46 10.930 -6.794 3.667 1.00 0.00 C ATOM 719 CD2 TYR B 46 11.106 -7.021 1.302 1.00 0.00 C ATOM 720 CE1 TYR B 46 10.623 -8.134 3.774 1.00 0.00 C ATOM 721 CE2 TYR B 46 10.795 -8.360 1.401 1.00 0.00 C ATOM 722 CZ TYR B 46 10.557 -8.912 2.640 1.00 0.00 C ATOM 723 OH TYR B 46 10.255 -10.245 2.744 1.00 0.00 O ATOM 0 H TYR B 46 13.707 -6.372 3.062 1.00 0.00 H new ATOM 0 HA TYR B 46 13.314 -3.595 2.113 1.00 0.00 H new ATOM 0 HB2 TYR B 46 10.871 -4.167 2.934 1.00 0.00 H new ATOM 0 HB3 TYR B 46 11.376 -4.433 1.278 1.00 0.00 H new ATOM 0 HD1 TYR B 46 10.978 -6.186 4.558 1.00 0.00 H new ATOM 0 HD2 TYR B 46 11.297 -6.591 0.330 1.00 0.00 H new ATOM 0 HE1 TYR B 46 10.435 -8.571 4.743 1.00 0.00 H new ATOM 0 HE2 TYR B 46 10.738 -8.972 0.513 1.00 0.00 H new ATOM 0 HH TYR B 46 10.842 -10.761 2.153 1.00 0.00 H new ATOM 733 N LYS B 47 13.140 -2.839 4.481 1.00 0.00 N ATOM 734 CA LYS B 47 13.364 -2.377 5.839 1.00 0.00 C ATOM 735 C LYS B 47 12.032 -2.108 6.513 1.00 0.00 C ATOM 736 O LYS B 47 11.917 -2.147 7.741 1.00 0.00 O ATOM 737 CB LYS B 47 14.216 -1.095 5.855 1.00 0.00 C ATOM 738 CG LYS B 47 15.638 -1.261 5.314 1.00 0.00 C ATOM 739 CD LYS B 47 15.669 -1.496 3.809 1.00 0.00 C ATOM 740 CE LYS B 47 15.154 -0.296 3.030 1.00 0.00 C ATOM 741 NZ LYS B 47 14.943 -0.628 1.599 1.00 0.00 N ATOM 0 H LYS B 47 13.015 -2.091 3.799 1.00 0.00 H new ATOM 0 HA LYS B 47 13.903 -3.155 6.380 1.00 0.00 H new ATOM 0 HB2 LYS B 47 13.707 -0.330 5.269 1.00 0.00 H new ATOM 0 HB3 LYS B 47 14.273 -0.727 6.879 1.00 0.00 H new ATOM 0 HG2 LYS B 47 16.219 -0.370 5.551 1.00 0.00 H new ATOM 0 HG3 LYS B 47 16.119 -2.099 5.819 1.00 0.00 H new ATOM 0 HD2 LYS B 47 16.690 -1.718 3.498 1.00 0.00 H new ATOM 0 HD3 LYS B 47 15.065 -2.371 3.567 1.00 0.00 H new ATOM 0 HE2 LYS B 47 14.217 0.048 3.467 1.00 0.00 H new ATOM 0 HE3 LYS B 47 15.865 0.526 3.113 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 14.657 0.228 1.083 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 15.827 -0.997 1.194 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 14.197 -1.348 1.516 1.00 0.00 H new ATOM 755 N LEU B 48 11.030 -1.841 5.697 1.00 0.00 N ATOM 756 CA LEU B 48 9.712 -1.507 6.197 1.00 0.00 C ATOM 757 C LEU B 48 8.640 -2.219 5.377 1.00 0.00 C ATOM 758 O LEU B 48 8.726 -2.290 4.151 1.00 0.00 O ATOM 759 CB LEU B 48 9.513 0.014 6.136 1.00 0.00 C ATOM 760 CG LEU B 48 8.762 0.647 7.317 1.00 0.00 C ATOM 761 CD1 LEU B 48 7.332 0.158 7.388 1.00 0.00 C ATOM 762 CD2 LEU B 48 9.469 0.353 8.624 1.00 0.00 C ATOM 0 H LEU B 48 11.106 -1.849 4.680 1.00 0.00 H new ATOM 0 HA LEU B 48 9.625 -1.837 7.232 1.00 0.00 H new ATOM 0 HB2 LEU B 48 10.493 0.485 6.061 1.00 0.00 H new ATOM 0 HB3 LEU B 48 8.974 0.253 5.219 1.00 0.00 H new ATOM 0 HG LEU B 48 8.750 1.725 7.154 1.00 0.00 H new ATOM 0 HD11 LEU B 48 6.829 0.625 8.235 1.00 0.00 H new ATOM 0 HD12 LEU B 48 6.812 0.420 6.467 1.00 0.00 H new ATOM 0 HD13 LEU B 48 7.324 -0.925 7.514 1.00 0.00 H new ATOM 0 HD21 LEU B 48 8.919 0.811 9.446 1.00 0.00 H new ATOM 0 HD22 LEU B 48 9.518 -0.725 8.777 1.00 0.00 H new ATOM 0 HD23 LEU B 48 10.479 0.761 8.591 1.00 0.00 H new ATOM 774 N ARG B 49 7.649 -2.763 6.063 1.00 0.00 N ATOM 775 CA ARG B 49 6.516 -3.392 5.406 1.00 0.00 C ATOM 776 C ARG B 49 5.231 -2.692 5.823 1.00 0.00 C ATOM 777 O ARG B 49 4.992 -2.480 7.010 1.00 0.00 O ATOM 778 CB ARG B 49 6.437 -4.871 5.774 1.00 0.00 C ATOM 779 CG ARG B 49 5.382 -5.638 4.996 1.00 0.00 C ATOM 780 CD ARG B 49 5.142 -7.015 5.594 1.00 0.00 C ATOM 781 NE ARG B 49 4.446 -6.942 6.880 1.00 0.00 N ATOM 782 CZ ARG B 49 4.258 -7.985 7.685 1.00 0.00 C ATOM 783 NH1 ARG B 49 4.743 -9.174 7.361 1.00 0.00 N ATOM 784 NH2 ARG B 49 3.581 -7.840 8.817 1.00 0.00 N ATOM 0 H ARG B 49 7.607 -2.781 7.082 1.00 0.00 H new ATOM 0 HA ARG B 49 6.646 -3.307 4.327 1.00 0.00 H new ATOM 0 HB2 ARG B 49 7.410 -5.332 5.601 1.00 0.00 H new ATOM 0 HB3 ARG B 49 6.227 -4.960 6.840 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.449 -5.074 4.992 1.00 0.00 H new ATOM 0 HG3 ARG B 49 5.697 -5.741 3.958 1.00 0.00 H new ATOM 0 HD2 ARG B 49 4.556 -7.615 4.898 1.00 0.00 H new ATOM 0 HD3 ARG B 49 6.097 -7.524 5.727 1.00 0.00 H new ATOM 0 HE ARG B 49 4.083 -6.036 7.177 1.00 0.00 H new ATOM 0 HH11 ARG B 49 5.263 -9.293 6.492 1.00 0.00 H new ATOM 0 HH12 ARG B 49 4.597 -9.971 7.981 1.00 0.00 H new ATOM 0 HH21 ARG B 49 3.203 -6.928 9.072 1.00 0.00 H new ATOM 0 HH22 ARG B 49 3.438 -8.641 9.432 1.00 0.00 H new ATOM 798 N ILE B 50 4.424 -2.315 4.849 1.00 0.00 N ATOM 799 CA ILE B 50 3.150 -1.669 5.123 1.00 0.00 C ATOM 800 C ILE B 50 2.040 -2.480 4.476 1.00 0.00 C ATOM 801 O ILE B 50 2.125 -2.844 3.305 1.00 0.00 O ATOM 802 CB ILE B 50 3.087 -0.199 4.611 1.00 0.00 C ATOM 803 CG1 ILE B 50 4.267 0.647 5.114 1.00 0.00 C ATOM 804 CG2 ILE B 50 1.789 0.454 5.059 1.00 0.00 C ATOM 805 CD1 ILE B 50 5.597 0.334 4.467 1.00 0.00 C ATOM 0 H ILE B 50 4.627 -2.445 3.858 1.00 0.00 H new ATOM 0 HA ILE B 50 3.030 -1.630 6.206 1.00 0.00 H new ATOM 0 HB ILE B 50 3.139 -0.241 3.523 1.00 0.00 H new ATOM 0 HG12 ILE B 50 4.037 1.699 4.948 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.362 0.508 6.191 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.754 1.481 4.696 1.00 0.00 H new ATOM 0 HG22 ILE B 50 0.943 -0.102 4.655 1.00 0.00 H new ATOM 0 HG23 ILE B 50 1.737 0.452 6.148 1.00 0.00 H new ATOM 0 HD11 ILE B 50 6.367 0.981 4.887 1.00 0.00 H new ATOM 0 HD12 ILE B 50 5.857 -0.708 4.655 1.00 0.00 H new ATOM 0 HD13 ILE B 50 5.527 0.502 3.392 1.00 0.00 H new ATOM 817 N LEU B 51 1.020 -2.785 5.250 1.00 0.00 N ATOM 818 CA LEU B 51 -0.066 -3.628 4.788 1.00 0.00 C ATOM 819 C LEU B 51 -1.358 -2.838 4.716 1.00 0.00 C ATOM 820 O LEU B 51 -1.821 -2.311 5.720 1.00 0.00 O ATOM 821 CB LEU B 51 -0.237 -4.825 5.728 1.00 0.00 C ATOM 822 CG LEU B 51 0.312 -6.158 5.217 1.00 0.00 C ATOM 823 CD1 LEU B 51 -0.496 -6.637 4.032 1.00 0.00 C ATOM 824 CD2 LEU B 51 1.779 -6.037 4.843 1.00 0.00 C ATOM 0 H LEU B 51 0.919 -2.459 6.211 1.00 0.00 H new ATOM 0 HA LEU B 51 0.177 -3.990 3.789 1.00 0.00 H new ATOM 0 HB2 LEU B 51 0.251 -4.592 6.674 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -1.299 -4.948 5.939 1.00 0.00 H new ATOM 0 HG LEU B 51 0.228 -6.890 6.020 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -0.095 -7.587 3.678 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -1.536 -6.771 4.331 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -0.441 -5.899 3.232 1.00 0.00 H new ATOM 0 HD21 LEU B 51 2.143 -6.999 4.483 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.894 -5.289 4.059 1.00 0.00 H new ATOM 0 HD23 LEU B 51 2.354 -5.736 5.719 1.00 0.00 H new ATOM 836 N ILE B 52 -1.923 -2.734 3.528 1.00 0.00 N ATOM 837 CA ILE B 52 -3.192 -2.048 3.355 1.00 0.00 C ATOM 838 C ILE B 52 -4.190 -2.980 2.686 1.00 0.00 C ATOM 839 O ILE B 52 -4.113 -3.228 1.483 1.00 0.00 O ATOM 840 CB ILE B 52 -3.061 -0.757 2.510 1.00 0.00 C ATOM 841 CG1 ILE B 52 -1.973 0.166 3.069 1.00 0.00 C ATOM 842 CG2 ILE B 52 -4.391 -0.023 2.462 1.00 0.00 C ATOM 843 CD1 ILE B 52 -0.601 -0.093 2.489 1.00 0.00 C ATOM 0 H ILE B 52 -1.525 -3.115 2.669 1.00 0.00 H new ATOM 0 HA ILE B 52 -3.538 -1.760 4.348 1.00 0.00 H new ATOM 0 HB ILE B 52 -2.774 -1.046 1.499 1.00 0.00 H new ATOM 0 HG12 ILE B 52 -2.251 1.202 2.873 1.00 0.00 H new ATOM 0 HG13 ILE B 52 -1.929 0.047 4.152 1.00 0.00 H new ATOM 0 HG21 ILE B 52 -4.285 0.883 1.865 1.00 0.00 H new ATOM 0 HG22 ILE B 52 -5.146 -0.668 2.013 1.00 0.00 H new ATOM 0 HG23 ILE B 52 -4.696 0.243 3.474 1.00 0.00 H new ATOM 0 HD11 ILE B 52 0.117 0.597 2.931 1.00 0.00 H new ATOM 0 HD12 ILE B 52 -0.301 -1.118 2.708 1.00 0.00 H new ATOM 0 HD13 ILE B 52 -0.629 0.054 1.409 1.00 0.00 H new ATOM 855 N GLU B 53 -5.112 -3.517 3.464 1.00 0.00 N ATOM 856 CA GLU B 53 -6.096 -4.436 2.923 1.00 0.00 C ATOM 857 C GLU B 53 -7.457 -3.773 2.843 1.00 0.00 C ATOM 858 O GLU B 53 -7.757 -2.842 3.591 1.00 0.00 O ATOM 859 CB GLU B 53 -6.176 -5.711 3.757 1.00 0.00 C ATOM 860 CG GLU B 53 -6.758 -5.503 5.141 1.00 0.00 C ATOM 861 CD GLU B 53 -6.690 -6.754 5.991 1.00 0.00 C ATOM 862 OE1 GLU B 53 -7.596 -7.606 5.879 1.00 0.00 O ATOM 863 OE2 GLU B 53 -5.727 -6.896 6.772 1.00 0.00 O ATOM 0 H GLU B 53 -5.200 -3.335 4.464 1.00 0.00 H new ATOM 0 HA GLU B 53 -5.780 -4.709 1.916 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -6.782 -6.444 3.225 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -5.176 -6.134 3.854 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -6.220 -4.698 5.641 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -7.797 -5.184 5.051 1.00 0.00 H new ATOM 870 N ASN B 54 -8.265 -4.254 1.922 1.00 0.00 N ATOM 871 CA ASN B 54 -9.590 -3.707 1.696 1.00 0.00 C ATOM 872 C ASN B 54 -10.625 -4.573 2.391 1.00 0.00 C ATOM 873 O ASN B 54 -10.848 -5.718 2.001 1.00 0.00 O ATOM 874 CB ASN B 54 -9.886 -3.653 0.197 1.00 0.00 C ATOM 875 CG ASN B 54 -10.987 -2.675 -0.176 1.00 0.00 C ATOM 876 OD1 ASN B 54 -10.956 -2.081 -1.249 1.00 0.00 O ATOM 877 ND2 ASN B 54 -11.974 -2.502 0.690 1.00 0.00 N ATOM 0 H ASN B 54 -8.025 -5.033 1.309 1.00 0.00 H new ATOM 0 HA ASN B 54 -9.632 -2.696 2.102 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -8.974 -3.379 -0.334 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -10.167 -4.649 -0.144 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -12.737 -1.860 0.473 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -11.972 -3.010 1.574 1.00 0.00 H new ATOM 884 N LYS B 55 -11.255 -4.026 3.413 1.00 0.00 N ATOM 885 CA LYS B 55 -12.264 -4.756 4.157 1.00 0.00 C ATOM 886 C LYS B 55 -13.466 -3.867 4.448 1.00 0.00 C ATOM 887 O LYS B 55 -13.501 -3.142 5.442 1.00 0.00 O ATOM 888 CB LYS B 55 -11.662 -5.297 5.460 1.00 0.00 C ATOM 889 CG LYS B 55 -10.762 -4.300 6.180 1.00 0.00 C ATOM 890 CD LYS B 55 -10.237 -4.853 7.494 1.00 0.00 C ATOM 891 CE LYS B 55 -11.341 -4.984 8.529 1.00 0.00 C ATOM 892 NZ LYS B 55 -10.810 -5.411 9.847 1.00 0.00 N ATOM 0 H LYS B 55 -11.086 -3.077 3.747 1.00 0.00 H new ATOM 0 HA LYS B 55 -12.606 -5.596 3.553 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.471 -5.591 6.129 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -11.088 -6.197 5.238 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -9.923 -4.038 5.536 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -11.317 -3.381 6.369 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -9.781 -5.828 7.322 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -9.454 -4.199 7.878 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -11.855 -4.029 8.636 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -12.080 -5.707 8.183 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -11.552 -5.311 10.569 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -10.510 -6.405 9.795 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -9.996 -4.816 10.102 1.00 0.00 H new ATOM 906 N ALA B 56 -14.449 -3.921 3.565 1.00 0.00 N ATOM 907 CA ALA B 56 -15.691 -3.190 3.756 1.00 0.00 C ATOM 908 C ALA B 56 -16.880 -4.062 3.366 1.00 0.00 C ATOM 909 O ALA B 56 -16.702 -5.058 2.668 1.00 0.00 O ATOM 910 CB ALA B 56 -15.685 -1.902 2.949 1.00 0.00 C ATOM 0 H ALA B 56 -14.410 -4.467 2.704 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.781 -2.929 4.810 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -16.623 -1.370 3.106 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -14.854 -1.275 3.271 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -15.573 -2.136 1.890 1.00 0.00 H new ATOM 916 N PRO B 57 -18.099 -3.715 3.800 1.00 0.00 N ATOM 917 CA PRO B 57 -19.294 -4.488 3.454 1.00 0.00 C ATOM 918 C PRO B 57 -19.591 -4.470 1.956 1.00 0.00 C ATOM 919 O PRO B 57 -19.953 -5.495 1.372 1.00 0.00 O ATOM 920 CB PRO B 57 -20.417 -3.799 4.238 1.00 0.00 C ATOM 921 CG PRO B 57 -19.900 -2.438 4.552 1.00 0.00 C ATOM 922 CD PRO B 57 -18.411 -2.576 4.679 1.00 0.00 C ATOM 0 HA PRO B 57 -19.176 -5.543 3.703 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -21.332 -3.746 3.649 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -20.656 -4.349 5.148 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -20.160 -1.731 3.764 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -20.336 -2.059 5.476 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -17.895 -1.670 4.362 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -18.112 -2.769 5.709 1.00 0.00 H new ATOM 930 N ASN B 58 -19.413 -3.312 1.331 1.00 0.00 N ATOM 931 CA ASN B 58 -19.799 -3.135 -0.071 1.00 0.00 C ATOM 932 C ASN B 58 -18.735 -2.371 -0.856 1.00 0.00 C ATOM 933 O ASN B 58 -19.056 -1.575 -1.736 1.00 0.00 O ATOM 934 CB ASN B 58 -21.132 -2.384 -0.164 1.00 0.00 C ATOM 935 CG ASN B 58 -22.277 -3.121 0.502 1.00 0.00 C ATOM 936 OD1 ASN B 58 -22.458 -2.890 1.792 1.00 0.00 O flip ATOM 937 ND2 ASN B 58 -22.993 -3.891 -0.138 1.00 0.00 N flip ATOM 0 H ASN B 58 -19.007 -2.484 1.766 1.00 0.00 H new ATOM 0 HA ASN B 58 -19.903 -4.128 -0.508 1.00 0.00 H new ATOM 0 HB2 ASN B 58 -21.022 -1.403 0.297 1.00 0.00 H new ATOM 0 HB3 ASN B 58 -21.376 -2.218 -1.213 1.00 0.00 H new ATOM 0 HD21 ASN B 58 -22.820 -4.041 -1.132 1.00 0.00 H new ATOM 0 HD22 ASN B 58 -23.760 -4.379 0.326 1.00 0.00 H new ATOM 944 N SER B 59 -17.473 -2.622 -0.547 1.00 0.00 N ATOM 945 CA SER B 59 -16.379 -1.907 -1.191 1.00 0.00 C ATOM 946 C SER B 59 -16.128 -2.407 -2.605 1.00 0.00 C ATOM 947 O SER B 59 -16.025 -3.609 -2.840 1.00 0.00 O ATOM 948 CB SER B 59 -15.111 -2.048 -0.361 1.00 0.00 C ATOM 949 OG SER B 59 -14.956 -3.375 0.120 1.00 0.00 O ATOM 0 H SER B 59 -17.180 -3.313 0.143 1.00 0.00 H new ATOM 0 HA SER B 59 -16.664 -0.857 -1.257 1.00 0.00 H new ATOM 0 HB2 SER B 59 -14.246 -1.774 -0.965 1.00 0.00 H new ATOM 0 HB3 SER B 59 -15.145 -1.355 0.480 1.00 0.00 H new ATOM 0 HG SER B 59 -14.117 -3.751 -0.221 1.00 0.00 H new ATOM 955 N LYS B 60 -16.007 -1.473 -3.537 1.00 0.00 N ATOM 956 CA LYS B 60 -15.748 -1.808 -4.928 1.00 0.00 C ATOM 957 C LYS B 60 -14.672 -0.895 -5.512 1.00 0.00 C ATOM 958 O LYS B 60 -14.978 0.040 -6.257 1.00 0.00 O ATOM 959 CB LYS B 60 -17.030 -1.692 -5.757 1.00 0.00 C ATOM 960 CG LYS B 60 -18.078 -2.748 -5.432 1.00 0.00 C ATOM 961 CD LYS B 60 -19.321 -2.587 -6.294 1.00 0.00 C ATOM 962 CE LYS B 60 -19.015 -2.782 -7.770 1.00 0.00 C ATOM 963 NZ LYS B 60 -20.205 -2.531 -8.622 1.00 0.00 N ATOM 0 H LYS B 60 -16.085 -0.473 -3.353 1.00 0.00 H new ATOM 0 HA LYS B 60 -15.394 -2.838 -4.965 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -17.464 -0.704 -5.599 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -16.774 -1.763 -6.814 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -17.655 -3.741 -5.585 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -18.353 -2.677 -4.380 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -20.076 -3.308 -5.981 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -19.745 -1.595 -6.139 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -18.209 -2.110 -8.065 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -18.659 -3.799 -7.935 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -19.953 -2.675 -9.621 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -20.966 -3.189 -8.358 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -20.530 -1.553 -8.484 1.00 0.00 H new ATOM 977 N PRO B 61 -13.395 -1.147 -5.181 1.00 0.00 N ATOM 978 CA PRO B 61 -12.279 -0.358 -5.705 1.00 0.00 C ATOM 979 C PRO B 61 -12.074 -0.589 -7.194 1.00 0.00 C ATOM 980 O PRO B 61 -12.175 -1.714 -7.685 1.00 0.00 O ATOM 981 CB PRO B 61 -11.072 -0.863 -4.919 1.00 0.00 C ATOM 982 CG PRO B 61 -11.447 -2.240 -4.492 1.00 0.00 C ATOM 983 CD PRO B 61 -12.936 -2.220 -4.278 1.00 0.00 C ATOM 0 HA PRO B 61 -12.450 0.713 -5.594 1.00 0.00 H new ATOM 0 HB2 PRO B 61 -10.173 -0.871 -5.536 1.00 0.00 H new ATOM 0 HB3 PRO B 61 -10.864 -0.225 -4.060 1.00 0.00 H new ATOM 0 HG2 PRO B 61 -11.172 -2.972 -5.252 1.00 0.00 H new ATOM 0 HG3 PRO B 61 -10.926 -2.520 -3.577 1.00 0.00 H new ATOM 0 HD2 PRO B 61 -13.391 -3.178 -4.528 1.00 0.00 H new ATOM 0 HD3 PRO B 61 -13.190 -2.008 -3.240 1.00 0.00 H new ATOM 991 N ASP B 62 -11.785 0.483 -7.905 1.00 0.00 N ATOM 992 CA ASP B 62 -11.624 0.418 -9.349 1.00 0.00 C ATOM 993 C ASP B 62 -10.177 0.160 -9.717 1.00 0.00 C ATOM 994 O ASP B 62 -9.885 -0.664 -10.584 1.00 0.00 O ATOM 995 CB ASP B 62 -12.095 1.711 -10.022 1.00 0.00 C ATOM 996 CG ASP B 62 -13.583 1.942 -9.878 1.00 0.00 C ATOM 997 OD1 ASP B 62 -14.366 1.265 -10.579 1.00 0.00 O ATOM 998 OD2 ASP B 62 -13.978 2.808 -9.071 1.00 0.00 O ATOM 0 H ASP B 62 -11.656 1.413 -7.507 1.00 0.00 H new ATOM 0 HA ASP B 62 -12.240 -0.407 -9.706 1.00 0.00 H new ATOM 0 HB2 ASP B 62 -11.558 2.556 -9.590 1.00 0.00 H new ATOM 0 HB3 ASP B 62 -11.838 1.678 -11.081 1.00 0.00 H new ATOM 1003 N ARG B 63 -9.273 0.862 -9.052 1.00 0.00 N ATOM 1004 CA ARG B 63 -7.862 0.798 -9.393 1.00 0.00 C ATOM 1005 C ARG B 63 -7.003 1.332 -8.258 1.00 0.00 C ATOM 1006 O ARG B 63 -7.516 1.838 -7.258 1.00 0.00 O ATOM 1007 CB ARG B 63 -7.618 1.622 -10.653 1.00 0.00 C ATOM 1008 CG ARG B 63 -7.998 3.084 -10.483 1.00 0.00 C ATOM 1009 CD ARG B 63 -8.295 3.737 -11.814 1.00 0.00 C ATOM 1010 NE ARG B 63 -8.750 5.116 -11.657 1.00 0.00 N ATOM 1011 CZ ARG B 63 -9.573 5.725 -12.505 1.00 0.00 C ATOM 1012 NH1 ARG B 63 -9.981 5.099 -13.603 1.00 0.00 N ATOM 1013 NH2 ARG B 63 -9.975 6.965 -12.269 1.00 0.00 N ATOM 0 H ARG B 63 -9.492 1.483 -8.273 1.00 0.00 H new ATOM 0 HA ARG B 63 -7.588 -0.243 -9.566 1.00 0.00 H new ATOM 0 HB2 ARG B 63 -6.565 1.554 -10.928 1.00 0.00 H new ATOM 0 HB3 ARG B 63 -8.190 1.196 -11.477 1.00 0.00 H new ATOM 0 HG2 ARG B 63 -8.871 3.161 -9.836 1.00 0.00 H new ATOM 0 HG3 ARG B 63 -7.186 3.617 -9.988 1.00 0.00 H new ATOM 0 HD2 ARG B 63 -7.399 3.719 -12.435 1.00 0.00 H new ATOM 0 HD3 ARG B 63 -9.057 3.161 -12.338 1.00 0.00 H new ATOM 0 HE ARG B 63 -8.417 5.643 -10.849 1.00 0.00 H new ATOM 0 HH11 ARG B 63 -9.663 4.149 -13.797 1.00 0.00 H new ATOM 0 HH12 ARG B 63 -10.612 5.568 -14.253 1.00 0.00 H new ATOM 0 HH21 ARG B 63 -9.653 7.455 -11.435 1.00 0.00 H new ATOM 0 HH22 ARG B 63 -10.606 7.429 -12.922 1.00 0.00 H new ATOM 1027 N PHE B 64 -5.699 1.219 -8.428 1.00 0.00 N ATOM 1028 CA PHE B 64 -4.744 1.758 -7.478 1.00 0.00 C ATOM 1029 C PHE B 64 -3.762 2.670 -8.191 1.00 0.00 C ATOM 1030 O PHE B 64 -3.237 2.319 -9.252 1.00 0.00 O ATOM 1031 CB PHE B 64 -3.984 0.635 -6.768 1.00 0.00 C ATOM 1032 CG PHE B 64 -4.785 -0.070 -5.713 1.00 0.00 C ATOM 1033 CD1 PHE B 64 -4.809 0.417 -4.417 1.00 0.00 C ATOM 1034 CD2 PHE B 64 -5.504 -1.214 -6.010 1.00 0.00 C ATOM 1035 CE1 PHE B 64 -5.539 -0.224 -3.436 1.00 0.00 C ATOM 1036 CE2 PHE B 64 -6.237 -1.860 -5.033 1.00 0.00 C ATOM 1037 CZ PHE B 64 -6.253 -1.365 -3.744 1.00 0.00 C ATOM 0 H PHE B 64 -5.272 0.751 -9.228 1.00 0.00 H new ATOM 0 HA PHE B 64 -5.294 2.329 -6.730 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -3.657 -0.094 -7.509 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -3.086 1.050 -6.311 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -4.251 1.308 -4.171 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -5.492 -1.606 -7.016 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -5.552 0.166 -2.429 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -6.797 -2.751 -5.277 1.00 0.00 H new ATOM 0 HZ PHE B 64 -6.823 -1.870 -2.978 1.00 0.00 H new ATOM 1047 N SER B 65 -3.527 3.838 -7.623 1.00 0.00 N ATOM 1048 CA SER B 65 -2.559 4.766 -8.175 1.00 0.00 C ATOM 1049 C SER B 65 -1.706 5.361 -7.060 1.00 0.00 C ATOM 1050 O SER B 65 -1.946 6.481 -6.612 1.00 0.00 O ATOM 1051 CB SER B 65 -3.288 5.871 -8.944 1.00 0.00 C ATOM 1052 OG SER B 65 -4.300 6.465 -8.143 1.00 0.00 O ATOM 0 H SER B 65 -3.994 4.167 -6.778 1.00 0.00 H new ATOM 0 HA SER B 65 -1.901 4.234 -8.862 1.00 0.00 H new ATOM 0 HB2 SER B 65 -2.574 6.632 -9.258 1.00 0.00 H new ATOM 0 HB3 SER B 65 -3.732 5.457 -9.849 1.00 0.00 H new ATOM 0 HG SER B 65 -3.915 6.750 -7.288 1.00 0.00 H new ATOM 1058 N PRO B 66 -0.706 4.607 -6.589 1.00 0.00 N ATOM 1059 CA PRO B 66 0.203 5.063 -5.551 1.00 0.00 C ATOM 1060 C PRO B 66 1.398 5.817 -6.117 1.00 0.00 C ATOM 1061 O PRO B 66 1.802 5.607 -7.264 1.00 0.00 O ATOM 1062 CB PRO B 66 0.649 3.759 -4.904 1.00 0.00 C ATOM 1063 CG PRO B 66 0.639 2.769 -6.015 1.00 0.00 C ATOM 1064 CD PRO B 66 -0.406 3.228 -7.004 1.00 0.00 C ATOM 0 HA PRO B 66 -0.268 5.765 -4.863 1.00 0.00 H new ATOM 0 HB2 PRO B 66 1.642 3.853 -4.465 1.00 0.00 H new ATOM 0 HB3 PRO B 66 -0.027 3.462 -4.102 1.00 0.00 H new ATOM 0 HG2 PRO B 66 1.619 2.710 -6.488 1.00 0.00 H new ATOM 0 HG3 PRO B 66 0.405 1.772 -5.641 1.00 0.00 H new ATOM 0 HD2 PRO B 66 -0.031 3.191 -8.027 1.00 0.00 H new ATOM 0 HD3 PRO B 66 -1.295 2.598 -6.967 1.00 0.00 H new ATOM 1072 N SER B 67 1.963 6.696 -5.312 1.00 0.00 N ATOM 1073 CA SER B 67 3.109 7.487 -5.730 1.00 0.00 C ATOM 1074 C SER B 67 3.891 7.972 -4.520 1.00 0.00 C ATOM 1075 O SER B 67 3.326 8.182 -3.443 1.00 0.00 O ATOM 1076 CB SER B 67 2.669 8.683 -6.579 1.00 0.00 C ATOM 1077 OG SER B 67 1.893 8.273 -7.693 1.00 0.00 O ATOM 0 H SER B 67 1.647 6.882 -4.360 1.00 0.00 H new ATOM 0 HA SER B 67 3.752 6.850 -6.337 1.00 0.00 H new ATOM 0 HB2 SER B 67 2.090 9.373 -5.965 1.00 0.00 H new ATOM 0 HB3 SER B 67 3.548 9.226 -6.927 1.00 0.00 H new ATOM 0 HG SER B 67 1.627 9.060 -8.213 1.00 0.00 H new ATOM 1083 N TYR B 68 5.188 8.144 -4.706 1.00 0.00 N ATOM 1084 CA TYR B 68 6.069 8.580 -3.640 1.00 0.00 C ATOM 1085 C TYR B 68 6.535 10.008 -3.884 1.00 0.00 C ATOM 1086 O TYR B 68 7.074 10.326 -4.946 1.00 0.00 O ATOM 1087 CB TYR B 68 7.275 7.642 -3.541 1.00 0.00 C ATOM 1088 CG TYR B 68 8.352 8.134 -2.606 1.00 0.00 C ATOM 1089 CD1 TYR B 68 8.120 8.248 -1.241 1.00 0.00 C ATOM 1090 CD2 TYR B 68 9.597 8.505 -3.094 1.00 0.00 C ATOM 1091 CE1 TYR B 68 9.101 8.716 -0.389 1.00 0.00 C ATOM 1092 CE2 TYR B 68 10.578 8.978 -2.247 1.00 0.00 C ATOM 1093 CZ TYR B 68 10.327 9.080 -0.897 1.00 0.00 C ATOM 1094 OH TYR B 68 11.301 9.562 -0.053 1.00 0.00 O ATOM 0 H TYR B 68 5.658 7.986 -5.598 1.00 0.00 H new ATOM 0 HA TYR B 68 5.519 8.552 -2.700 1.00 0.00 H new ATOM 0 HB2 TYR B 68 6.935 6.662 -3.206 1.00 0.00 H new ATOM 0 HB3 TYR B 68 7.702 7.508 -4.535 1.00 0.00 H new ATOM 0 HD1 TYR B 68 7.158 7.966 -0.840 1.00 0.00 H new ATOM 0 HD2 TYR B 68 9.801 8.422 -4.151 1.00 0.00 H new ATOM 0 HE1 TYR B 68 8.907 8.796 0.670 1.00 0.00 H new ATOM 0 HE2 TYR B 68 11.541 9.268 -2.642 1.00 0.00 H new ATOM 0 HH TYR B 68 12.107 9.772 -0.570 1.00 0.00 H new ATOM 1104 N ASN B 69 6.320 10.867 -2.904 1.00 0.00 N ATOM 1105 CA ASN B 69 6.765 12.248 -2.997 1.00 0.00 C ATOM 1106 C ASN B 69 7.971 12.492 -2.099 1.00 0.00 C ATOM 1107 O ASN B 69 7.890 12.362 -0.882 1.00 0.00 O ATOM 1108 CB ASN B 69 5.626 13.225 -2.665 1.00 0.00 C ATOM 1109 CG ASN B 69 4.897 12.905 -1.372 1.00 0.00 C ATOM 1110 OD1 ASN B 69 5.255 13.596 -0.305 1.00 0.00 O flip ATOM 1111 ND2 ASN B 69 3.992 12.075 -1.343 1.00 0.00 N flip ATOM 0 H ASN B 69 5.840 10.634 -2.034 1.00 0.00 H new ATOM 0 HA ASN B 69 7.068 12.431 -4.028 1.00 0.00 H new ATOM 0 HB2 ASN B 69 6.033 14.234 -2.601 1.00 0.00 H new ATOM 0 HB3 ASN B 69 4.908 13.223 -3.485 1.00 0.00 H new ATOM 0 HD21 ASN B 69 3.744 11.561 -2.188 1.00 0.00 H new ATOM 0 HD22 ASN B 69 3.488 11.900 -0.474 1.00 0.00 H new ATOM 1118 N PHE B 70 9.089 12.859 -2.719 1.00 0.00 N ATOM 1119 CA PHE B 70 10.344 13.098 -2.006 1.00 0.00 C ATOM 1120 C PHE B 70 10.257 14.363 -1.168 1.00 0.00 C ATOM 1121 O PHE B 70 11.105 14.610 -0.313 1.00 0.00 O ATOM 1122 CB PHE B 70 11.508 13.248 -2.989 1.00 0.00 C ATOM 1123 CG PHE B 70 11.780 12.036 -3.833 1.00 0.00 C ATOM 1124 CD1 PHE B 70 10.981 11.742 -4.923 1.00 0.00 C ATOM 1125 CD2 PHE B 70 12.845 11.199 -3.543 1.00 0.00 C ATOM 1126 CE1 PHE B 70 11.236 10.636 -5.709 1.00 0.00 C ATOM 1127 CE2 PHE B 70 13.106 10.090 -4.326 1.00 0.00 C ATOM 1128 CZ PHE B 70 12.299 9.807 -5.410 1.00 0.00 C ATOM 0 H PHE B 70 9.153 12.999 -3.727 1.00 0.00 H new ATOM 0 HA PHE B 70 10.517 12.239 -1.358 1.00 0.00 H new ATOM 0 HB2 PHE B 70 11.303 14.093 -3.647 1.00 0.00 H new ATOM 0 HB3 PHE B 70 12.410 13.492 -2.428 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.147 12.386 -5.162 1.00 0.00 H new ATOM 0 HD2 PHE B 70 13.479 11.415 -2.696 1.00 0.00 H new ATOM 0 HE1 PHE B 70 10.604 10.419 -6.558 1.00 0.00 H new ATOM 0 HE2 PHE B 70 13.940 9.446 -4.090 1.00 0.00 H new ATOM 0 HZ PHE B 70 12.499 8.940 -6.022 1.00 0.00 H new ATOM 1138 N ALA B 71 9.245 15.175 -1.444 1.00 0.00 N ATOM 1139 CA ALA B 71 9.040 16.424 -0.724 1.00 0.00 C ATOM 1140 C ALA B 71 8.838 16.172 0.765 1.00 0.00 C ATOM 1141 O ALA B 71 9.503 16.776 1.604 1.00 0.00 O ATOM 1142 CB ALA B 71 7.849 17.167 -1.305 1.00 0.00 C ATOM 0 H ALA B 71 8.549 14.989 -2.166 1.00 0.00 H new ATOM 0 HA ALA B 71 9.933 17.039 -0.840 1.00 0.00 H new ATOM 0 HB1 ALA B 71 7.702 18.100 -0.761 1.00 0.00 H new ATOM 0 HB2 ALA B 71 8.034 17.385 -2.357 1.00 0.00 H new ATOM 0 HB3 ALA B 71 6.955 16.549 -1.214 1.00 0.00 H new ATOM 1148 N GLU B 72 7.925 15.268 1.079 1.00 0.00 N ATOM 1149 CA GLU B 72 7.613 14.948 2.463 1.00 0.00 C ATOM 1150 C GLU B 72 8.034 13.529 2.782 1.00 0.00 C ATOM 1151 O GLU B 72 7.837 13.061 3.896 1.00 0.00 O ATOM 1152 CB GLU B 72 6.115 15.069 2.707 1.00 0.00 C ATOM 1153 CG GLU B 72 5.503 16.321 2.112 1.00 0.00 C ATOM 1154 CD GLU B 72 5.883 17.573 2.871 1.00 0.00 C ATOM 1155 OE1 GLU B 72 5.270 17.837 3.929 1.00 0.00 O ATOM 1156 OE2 GLU B 72 6.786 18.303 2.416 1.00 0.00 O ATOM 0 H GLU B 72 7.385 14.741 0.392 1.00 0.00 H new ATOM 0 HA GLU B 72 8.153 15.648 3.101 1.00 0.00 H new ATOM 0 HB2 GLU B 72 5.615 14.196 2.288 1.00 0.00 H new ATOM 0 HB3 GLU B 72 5.928 15.058 3.781 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.822 16.419 1.074 1.00 0.00 H new ATOM 0 HG3 GLU B 72 4.418 16.221 2.103 1.00 0.00 H new ATOM 1163 N ASN B 73 8.595 12.865 1.765 1.00 0.00 N ATOM 1164 CA ASN B 73 8.915 11.427 1.793 1.00 0.00 C ATOM 1165 C ASN B 73 7.701 10.603 2.228 1.00 0.00 C ATOM 1166 O ASN B 73 7.780 9.722 3.092 1.00 0.00 O ATOM 1167 CB ASN B 73 10.178 11.085 2.624 1.00 0.00 C ATOM 1168 CG ASN B 73 10.154 11.582 4.054 1.00 0.00 C ATOM 1169 OD1 ASN B 73 10.731 12.623 4.375 1.00 0.00 O ATOM 1170 ND2 ASN B 73 9.472 10.856 4.918 1.00 0.00 N ATOM 0 H ASN B 73 8.845 13.315 0.885 1.00 0.00 H new ATOM 0 HA ASN B 73 9.165 11.150 0.769 1.00 0.00 H new ATOM 0 HB2 ASN B 73 10.307 10.003 2.633 1.00 0.00 H new ATOM 0 HB3 ASN B 73 11.050 11.506 2.123 1.00 0.00 H new ATOM 0 HD21 ASN B 73 9.408 11.150 5.893 1.00 0.00 H new ATOM 0 HD22 ASN B 73 9.009 10.000 4.612 1.00 0.00 H new ATOM 1177 N ILE B 74 6.569 10.898 1.602 1.00 0.00 N ATOM 1178 CA ILE B 74 5.330 10.175 1.860 1.00 0.00 C ATOM 1179 C ILE B 74 5.004 9.267 0.671 1.00 0.00 C ATOM 1180 O ILE B 74 5.318 9.595 -0.475 1.00 0.00 O ATOM 1181 CB ILE B 74 4.136 11.143 2.112 1.00 0.00 C ATOM 1182 CG1 ILE B 74 4.251 11.899 3.450 1.00 0.00 C ATOM 1183 CG2 ILE B 74 2.804 10.406 2.063 1.00 0.00 C ATOM 1184 CD1 ILE B 74 5.363 11.447 4.369 1.00 0.00 C ATOM 0 H ILE B 74 6.483 11.639 0.906 1.00 0.00 H new ATOM 0 HA ILE B 74 5.477 9.579 2.760 1.00 0.00 H new ATOM 0 HB ILE B 74 4.176 11.877 1.307 1.00 0.00 H new ATOM 0 HG12 ILE B 74 4.391 12.959 3.236 1.00 0.00 H new ATOM 0 HG13 ILE B 74 3.304 11.803 3.982 1.00 0.00 H new ATOM 0 HG21 ILE B 74 1.992 11.110 2.243 1.00 0.00 H new ATOM 0 HG22 ILE B 74 2.677 9.949 1.082 1.00 0.00 H new ATOM 0 HG23 ILE B 74 2.789 9.631 2.829 1.00 0.00 H new ATOM 0 HD11 ILE B 74 5.350 12.047 5.279 1.00 0.00 H new ATOM 0 HD12 ILE B 74 5.220 10.397 4.625 1.00 0.00 H new ATOM 0 HD13 ILE B 74 6.323 11.570 3.867 1.00 0.00 H new ATOM 1196 N LEU B 75 4.394 8.128 0.954 1.00 0.00 N ATOM 1197 CA LEU B 75 3.957 7.205 -0.078 1.00 0.00 C ATOM 1198 C LEU B 75 2.435 7.111 -0.038 1.00 0.00 C ATOM 1199 O LEU B 75 1.866 6.462 0.837 1.00 0.00 O ATOM 1200 CB LEU B 75 4.619 5.829 0.144 1.00 0.00 C ATOM 1201 CG LEU B 75 4.355 4.738 -0.911 1.00 0.00 C ATOM 1202 CD1 LEU B 75 3.006 4.067 -0.693 1.00 0.00 C ATOM 1203 CD2 LEU B 75 4.439 5.311 -2.316 1.00 0.00 C ATOM 0 H LEU B 75 4.189 7.818 1.904 1.00 0.00 H new ATOM 0 HA LEU B 75 4.257 7.560 -1.064 1.00 0.00 H new ATOM 0 HB2 LEU B 75 5.696 5.980 0.210 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.290 5.449 1.111 1.00 0.00 H new ATOM 0 HG LEU B 75 5.130 3.980 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU B 75 2.852 3.303 -1.455 1.00 0.00 H new ATOM 0 HD12 LEU B 75 2.985 3.605 0.294 1.00 0.00 H new ATOM 0 HD13 LEU B 75 2.214 4.812 -0.762 1.00 0.00 H new ATOM 0 HD21 LEU B 75 4.249 4.521 -3.043 1.00 0.00 H new ATOM 0 HD22 LEU B 75 3.695 6.099 -2.433 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.434 5.725 -2.481 1.00 0.00 H new ATOM 1215 N TYR B 76 1.771 7.781 -0.962 1.00 0.00 N ATOM 1216 CA TYR B 76 0.319 7.773 -0.980 1.00 0.00 C ATOM 1217 C TYR B 76 -0.177 6.632 -1.857 1.00 0.00 C ATOM 1218 O TYR B 76 0.403 6.345 -2.902 1.00 0.00 O ATOM 1219 CB TYR B 76 -0.226 9.138 -1.441 1.00 0.00 C ATOM 1220 CG TYR B 76 -0.774 9.184 -2.852 1.00 0.00 C ATOM 1221 CD1 TYR B 76 -2.107 8.885 -3.104 1.00 0.00 C ATOM 1222 CD2 TYR B 76 0.028 9.550 -3.922 1.00 0.00 C ATOM 1223 CE1 TYR B 76 -2.623 8.946 -4.381 1.00 0.00 C ATOM 1224 CE2 TYR B 76 -0.482 9.612 -5.206 1.00 0.00 C ATOM 1225 CZ TYR B 76 -1.809 9.309 -5.428 1.00 0.00 C ATOM 1226 OH TYR B 76 -2.326 9.373 -6.706 1.00 0.00 O ATOM 0 H TYR B 76 2.207 8.332 -1.702 1.00 0.00 H new ATOM 0 HA TYR B 76 -0.056 7.607 0.030 1.00 0.00 H new ATOM 0 HB2 TYR B 76 -1.015 9.444 -0.754 1.00 0.00 H new ATOM 0 HB3 TYR B 76 0.573 9.875 -1.357 1.00 0.00 H new ATOM 0 HD1 TYR B 76 -2.751 8.600 -2.285 1.00 0.00 H new ATOM 0 HD2 TYR B 76 1.067 9.790 -3.750 1.00 0.00 H new ATOM 0 HE1 TYR B 76 -3.662 8.710 -4.558 1.00 0.00 H new ATOM 0 HE2 TYR B 76 0.155 9.896 -6.030 1.00 0.00 H new ATOM 0 HH TYR B 76 -2.385 8.469 -7.081 1.00 0.00 H new ATOM 1236 N ILE B 77 -1.236 5.967 -1.407 1.00 0.00 N ATOM 1237 CA ILE B 77 -1.742 4.777 -2.082 1.00 0.00 C ATOM 1238 C ILE B 77 -2.837 5.121 -3.077 1.00 0.00 C ATOM 1239 O ILE B 77 -2.839 4.642 -4.210 1.00 0.00 O ATOM 1240 CB ILE B 77 -2.305 3.758 -1.067 1.00 0.00 C ATOM 1241 CG1 ILE B 77 -1.187 3.226 -0.167 1.00 0.00 C ATOM 1242 CG2 ILE B 77 -3.017 2.614 -1.779 1.00 0.00 C ATOM 1243 CD1 ILE B 77 -0.107 2.473 -0.914 1.00 0.00 C ATOM 0 H ILE B 77 -1.762 6.233 -0.575 1.00 0.00 H new ATOM 0 HA ILE B 77 -0.897 4.339 -2.614 1.00 0.00 H new ATOM 0 HB ILE B 77 -3.037 4.269 -0.442 1.00 0.00 H new ATOM 0 HG12 ILE B 77 -0.733 4.062 0.365 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -1.621 2.568 0.586 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -3.404 1.911 -1.041 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -3.843 3.011 -2.370 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.315 2.101 -2.436 1.00 0.00 H new ATOM 0 HD11 ILE B 77 0.649 2.127 -0.209 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.547 1.616 -1.423 1.00 0.00 H new ATOM 0 HD13 ILE B 77 0.356 3.133 -1.648 1.00 0.00 H new ATOM 1255 N ASN B 78 -3.771 5.944 -2.643 1.00 0.00 N ATOM 1256 CA ASN B 78 -4.928 6.268 -3.455 1.00 0.00 C ATOM 1257 C ASN B 78 -5.570 7.534 -2.917 1.00 0.00 C ATOM 1258 O ASN B 78 -5.113 8.078 -1.911 1.00 0.00 O ATOM 1259 CB ASN B 78 -5.920 5.101 -3.406 1.00 0.00 C ATOM 1260 CG ASN B 78 -6.677 4.912 -4.704 1.00 0.00 C ATOM 1261 OD1 ASN B 78 -6.965 5.871 -5.418 1.00 0.00 O ATOM 1262 ND2 ASN B 78 -6.989 3.665 -5.021 1.00 0.00 N ATOM 0 H ASN B 78 -3.752 6.401 -1.731 1.00 0.00 H new ATOM 0 HA ASN B 78 -4.630 6.433 -4.490 1.00 0.00 H new ATOM 0 HB2 ASN B 78 -5.381 4.183 -3.169 1.00 0.00 H new ATOM 0 HB3 ASN B 78 -6.632 5.270 -2.598 1.00 0.00 H new ATOM 0 HD21 ASN B 78 -7.489 3.469 -5.888 1.00 0.00 H new ATOM 0 HD22 ASN B 78 -6.730 2.900 -4.398 1.00 0.00 H new ATOM 1269 N GLY B 79 -6.631 7.990 -3.565 1.00 0.00 N ATOM 1270 CA GLY B 79 -7.337 9.173 -3.104 1.00 0.00 C ATOM 1271 C GLY B 79 -8.208 8.886 -1.894 1.00 0.00 C ATOM 1272 O GLY B 79 -9.269 9.481 -1.722 1.00 0.00 O ATOM 0 H GLY B 79 -7.019 7.562 -4.406 1.00 0.00 H new ATOM 0 HA2 GLY B 79 -6.615 9.950 -2.854 1.00 0.00 H new ATOM 0 HA3 GLY B 79 -7.957 9.562 -3.912 1.00 0.00 H new ATOM 1276 N LYS B 80 -7.753 7.961 -1.060 1.00 0.00 N ATOM 1277 CA LYS B 80 -8.477 7.564 0.137 1.00 0.00 C ATOM 1278 C LYS B 80 -7.577 7.715 1.348 1.00 0.00 C ATOM 1279 O LYS B 80 -7.989 8.233 2.384 1.00 0.00 O ATOM 1280 CB LYS B 80 -8.936 6.104 0.038 1.00 0.00 C ATOM 1281 CG LYS B 80 -9.648 5.757 -1.260 1.00 0.00 C ATOM 1282 CD LYS B 80 -10.883 6.620 -1.489 1.00 0.00 C ATOM 1283 CE LYS B 80 -11.907 6.466 -0.374 1.00 0.00 C ATOM 1284 NZ LYS B 80 -13.062 7.386 -0.553 1.00 0.00 N ATOM 0 H LYS B 80 -6.872 7.466 -1.195 1.00 0.00 H new ATOM 0 HA LYS B 80 -9.353 8.205 0.236 1.00 0.00 H new ATOM 0 HB2 LYS B 80 -8.067 5.454 0.147 1.00 0.00 H new ATOM 0 HB3 LYS B 80 -9.602 5.888 0.873 1.00 0.00 H new ATOM 0 HG2 LYS B 80 -8.959 5.883 -2.095 1.00 0.00 H new ATOM 0 HG3 LYS B 80 -9.939 4.707 -1.243 1.00 0.00 H new ATOM 0 HD2 LYS B 80 -10.585 7.666 -1.564 1.00 0.00 H new ATOM 0 HD3 LYS B 80 -11.341 6.350 -2.441 1.00 0.00 H new ATOM 0 HE2 LYS B 80 -12.263 5.436 -0.348 1.00 0.00 H new ATOM 0 HE3 LYS B 80 -11.431 6.663 0.586 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 -13.704 7.300 0.261 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 -12.719 8.365 -0.621 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 -13.572 7.137 -1.424 1.00 0.00 H new ATOM 1298 N LEU B 81 -6.340 7.257 1.201 1.00 0.00 N ATOM 1299 CA LEU B 81 -5.372 7.291 2.286 1.00 0.00 C ATOM 1300 C LEU B 81 -3.940 7.374 1.765 1.00 0.00 C ATOM 1301 O LEU B 81 -3.639 6.959 0.639 1.00 0.00 O ATOM 1302 CB LEU B 81 -5.545 6.083 3.223 1.00 0.00 C ATOM 1303 CG LEU B 81 -5.777 4.721 2.554 1.00 0.00 C ATOM 1304 CD1 LEU B 81 -4.577 4.288 1.731 1.00 0.00 C ATOM 1305 CD2 LEU B 81 -6.088 3.678 3.608 1.00 0.00 C ATOM 0 H LEU B 81 -5.983 6.855 0.334 1.00 0.00 H new ATOM 0 HA LEU B 81 -5.565 8.197 2.861 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -4.656 6.008 3.849 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -6.386 6.284 3.886 1.00 0.00 H new ATOM 0 HG LEU B 81 -6.624 4.820 1.876 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -4.780 3.320 1.274 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -4.386 5.025 0.951 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -3.703 4.208 2.377 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -6.252 2.713 3.128 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -5.251 3.601 4.302 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.986 3.969 4.154 1.00 0.00 H new ATOM 1317 N SER B 82 -3.073 7.937 2.585 1.00 0.00 N ATOM 1318 CA SER B 82 -1.667 8.064 2.262 1.00 0.00 C ATOM 1319 C SER B 82 -0.816 7.469 3.383 1.00 0.00 C ATOM 1320 O SER B 82 -1.197 7.530 4.557 1.00 0.00 O ATOM 1321 CB SER B 82 -1.328 9.538 2.039 1.00 0.00 C ATOM 1322 OG SER B 82 -1.844 10.342 3.089 1.00 0.00 O ATOM 0 H SER B 82 -3.326 8.320 3.496 1.00 0.00 H new ATOM 0 HA SER B 82 -1.450 7.514 1.346 1.00 0.00 H new ATOM 0 HB2 SER B 82 -0.247 9.661 1.979 1.00 0.00 H new ATOM 0 HB3 SER B 82 -1.740 9.870 1.086 1.00 0.00 H new ATOM 0 HG SER B 82 -1.614 11.280 2.926 1.00 0.00 H new ATOM 1328 N ILE B 83 0.313 6.875 3.026 1.00 0.00 N ATOM 1329 CA ILE B 83 1.186 6.243 4.005 1.00 0.00 C ATOM 1330 C ILE B 83 2.453 7.070 4.208 1.00 0.00 C ATOM 1331 O ILE B 83 3.290 7.170 3.311 1.00 0.00 O ATOM 1332 CB ILE B 83 1.579 4.815 3.566 1.00 0.00 C ATOM 1333 CG1 ILE B 83 0.330 3.972 3.276 1.00 0.00 C ATOM 1334 CG2 ILE B 83 2.442 4.148 4.630 1.00 0.00 C ATOM 1335 CD1 ILE B 83 -0.617 3.848 4.452 1.00 0.00 C ATOM 0 H ILE B 83 0.647 6.817 2.064 1.00 0.00 H new ATOM 0 HA ILE B 83 0.634 6.184 4.943 1.00 0.00 H new ATOM 0 HB ILE B 83 2.160 4.888 2.647 1.00 0.00 H new ATOM 0 HG12 ILE B 83 -0.206 4.413 2.436 1.00 0.00 H new ATOM 0 HG13 ILE B 83 0.641 2.974 2.967 1.00 0.00 H new ATOM 0 HG21 ILE B 83 2.709 3.143 4.304 1.00 0.00 H new ATOM 0 HG22 ILE B 83 3.349 4.733 4.783 1.00 0.00 H new ATOM 0 HG23 ILE B 83 1.886 4.090 5.566 1.00 0.00 H new ATOM 0 HD11 ILE B 83 -1.474 3.238 4.166 1.00 0.00 H new ATOM 0 HD12 ILE B 83 -0.099 3.378 5.288 1.00 0.00 H new ATOM 0 HD13 ILE B 83 -0.960 4.839 4.749 1.00 0.00 H new ATOM 1347 N PRO B 84 2.611 7.688 5.385 1.00 0.00 N ATOM 1348 CA PRO B 84 3.795 8.479 5.688 1.00 0.00 C ATOM 1349 C PRO B 84 5.001 7.602 5.992 1.00 0.00 C ATOM 1350 O PRO B 84 4.909 6.648 6.769 1.00 0.00 O ATOM 1351 CB PRO B 84 3.387 9.281 6.917 1.00 0.00 C ATOM 1352 CG PRO B 84 2.348 8.451 7.590 1.00 0.00 C ATOM 1353 CD PRO B 84 1.654 7.665 6.505 1.00 0.00 C ATOM 0 HA PRO B 84 4.099 9.103 4.848 1.00 0.00 H new ATOM 0 HB2 PRO B 84 4.239 9.457 7.574 1.00 0.00 H new ATOM 0 HB3 PRO B 84 2.992 10.258 6.638 1.00 0.00 H new ATOM 0 HG2 PRO B 84 2.801 7.783 8.323 1.00 0.00 H new ATOM 0 HG3 PRO B 84 1.638 9.080 8.127 1.00 0.00 H new ATOM 0 HD2 PRO B 84 1.438 6.646 6.826 1.00 0.00 H new ATOM 0 HD3 PRO B 84 0.703 8.120 6.228 1.00 0.00 H new ATOM 1361 N LEU B 85 6.132 7.921 5.384 1.00 0.00 N ATOM 1362 CA LEU B 85 7.324 7.108 5.554 1.00 0.00 C ATOM 1363 C LEU B 85 8.295 7.769 6.524 1.00 0.00 C ATOM 1364 O LEU B 85 8.349 8.994 6.622 1.00 0.00 O ATOM 1365 CB LEU B 85 7.996 6.869 4.202 1.00 0.00 C ATOM 1366 CG LEU B 85 7.117 6.177 3.158 1.00 0.00 C ATOM 1367 CD1 LEU B 85 7.900 5.946 1.881 1.00 0.00 C ATOM 1368 CD2 LEU B 85 6.572 4.861 3.695 1.00 0.00 C ATOM 0 H LEU B 85 6.249 8.730 4.774 1.00 0.00 H new ATOM 0 HA LEU B 85 7.029 6.146 5.973 1.00 0.00 H new ATOM 0 HB2 LEU B 85 8.324 7.828 3.801 1.00 0.00 H new ATOM 0 HB3 LEU B 85 8.891 6.267 4.359 1.00 0.00 H new ATOM 0 HG LEU B 85 6.272 6.828 2.936 1.00 0.00 H new ATOM 0 HD11 LEU B 85 7.262 5.453 1.147 1.00 0.00 H new ATOM 0 HD12 LEU B 85 8.238 6.903 1.483 1.00 0.00 H new ATOM 0 HD13 LEU B 85 8.764 5.316 2.093 1.00 0.00 H new ATOM 0 HD21 LEU B 85 5.950 4.388 2.935 1.00 0.00 H new ATOM 0 HD22 LEU B 85 7.401 4.200 3.949 1.00 0.00 H new ATOM 0 HD23 LEU B 85 5.974 5.051 4.586 1.00 0.00 H new ATOM 1380 N PRO B 86 9.056 6.957 7.273 1.00 0.00 N ATOM 1381 CA PRO B 86 10.051 7.457 8.220 1.00 0.00 C ATOM 1382 C PRO B 86 11.260 8.068 7.521 1.00 0.00 C ATOM 1383 O PRO B 86 11.726 7.565 6.496 1.00 0.00 O ATOM 1384 CB PRO B 86 10.464 6.208 8.996 1.00 0.00 C ATOM 1385 CG PRO B 86 10.190 5.078 8.071 1.00 0.00 C ATOM 1386 CD PRO B 86 8.995 5.484 7.259 1.00 0.00 C ATOM 0 HA PRO B 86 9.650 8.253 8.847 1.00 0.00 H new ATOM 0 HB2 PRO B 86 11.517 6.245 9.274 1.00 0.00 H new ATOM 0 HB3 PRO B 86 9.894 6.110 9.920 1.00 0.00 H new ATOM 0 HG2 PRO B 86 11.049 4.883 7.429 1.00 0.00 H new ATOM 0 HG3 PRO B 86 9.991 4.161 8.625 1.00 0.00 H new ATOM 0 HD2 PRO B 86 9.046 5.089 6.244 1.00 0.00 H new ATOM 0 HD3 PRO B 86 8.067 5.116 7.698 1.00 0.00 H new ATOM 1394 N ARG B 87 11.783 9.135 8.103 1.00 0.00 N ATOM 1395 CA ARG B 87 12.902 9.861 7.517 1.00 0.00 C ATOM 1396 C ARG B 87 14.218 9.142 7.786 1.00 0.00 C ATOM 1397 O ARG B 87 15.264 9.528 7.259 1.00 0.00 O ATOM 1398 CB ARG B 87 12.977 11.294 8.059 1.00 0.00 C ATOM 1399 CG ARG B 87 11.929 12.238 7.486 1.00 0.00 C ATOM 1400 CD ARG B 87 10.532 11.911 7.983 1.00 0.00 C ATOM 1401 NE ARG B 87 9.514 12.738 7.340 1.00 0.00 N ATOM 1402 CZ ARG B 87 8.216 12.671 7.625 1.00 0.00 C ATOM 1403 NH1 ARG B 87 7.780 11.803 8.532 1.00 0.00 N ATOM 1404 NH2 ARG B 87 7.356 13.466 6.997 1.00 0.00 N ATOM 0 H ARG B 87 11.449 9.521 8.986 1.00 0.00 H new ATOM 0 HA ARG B 87 12.735 9.903 6.441 1.00 0.00 H new ATOM 0 HB2 ARG B 87 12.869 11.266 9.143 1.00 0.00 H new ATOM 0 HB3 ARG B 87 13.967 11.698 7.848 1.00 0.00 H new ATOM 0 HG2 ARG B 87 12.179 13.264 7.757 1.00 0.00 H new ATOM 0 HG3 ARG B 87 11.948 12.182 6.398 1.00 0.00 H new ATOM 0 HD2 ARG B 87 10.317 10.859 7.794 1.00 0.00 H new ATOM 0 HD3 ARG B 87 10.488 12.056 9.062 1.00 0.00 H new ATOM 0 HE ARG B 87 9.816 13.406 6.631 1.00 0.00 H new ATOM 0 HH11 ARG B 87 8.440 11.189 9.009 1.00 0.00 H new ATOM 0 HH12 ARG B 87 6.785 11.751 8.751 1.00 0.00 H new ATOM 0 HH21 ARG B 87 7.691 14.127 6.297 1.00 0.00 H new ATOM 0 HH22 ARG B 87 6.361 13.415 7.215 1.00 0.00 H new ATOM 1418 N ASP B 88 14.157 8.090 8.593 1.00 0.00 N ATOM 1419 CA ASP B 88 15.345 7.313 8.927 1.00 0.00 C ATOM 1420 C ASP B 88 15.672 6.361 7.788 1.00 0.00 C ATOM 1421 O ASP B 88 16.797 5.872 7.656 1.00 0.00 O ATOM 1422 CB ASP B 88 15.117 6.536 10.229 1.00 0.00 C ATOM 1423 CG ASP B 88 16.311 5.692 10.636 1.00 0.00 C ATOM 1424 OD1 ASP B 88 17.320 6.264 11.102 1.00 0.00 O ATOM 1425 OD2 ASP B 88 16.238 4.450 10.516 1.00 0.00 O ATOM 0 H ASP B 88 13.298 7.755 9.029 1.00 0.00 H new ATOM 0 HA ASP B 88 16.188 7.989 9.072 1.00 0.00 H new ATOM 0 HB2 ASP B 88 14.887 7.239 11.029 1.00 0.00 H new ATOM 0 HB3 ASP B 88 14.246 5.891 10.112 1.00 0.00 H new ATOM 1430 N ILE B 89 14.678 6.124 6.948 1.00 0.00 N ATOM 1431 CA ILE B 89 14.817 5.194 5.847 1.00 0.00 C ATOM 1432 C ILE B 89 14.897 5.934 4.524 1.00 0.00 C ATOM 1433 O ILE B 89 14.094 6.827 4.249 1.00 0.00 O ATOM 1434 CB ILE B 89 13.634 4.210 5.807 1.00 0.00 C ATOM 1435 CG1 ILE B 89 13.523 3.486 7.147 1.00 0.00 C ATOM 1436 CG2 ILE B 89 13.794 3.212 4.667 1.00 0.00 C ATOM 1437 CD1 ILE B 89 12.382 2.504 7.213 1.00 0.00 C ATOM 0 H ILE B 89 13.762 6.568 7.011 1.00 0.00 H new ATOM 0 HA ILE B 89 15.740 4.636 6.003 1.00 0.00 H new ATOM 0 HB ILE B 89 12.717 4.771 5.629 1.00 0.00 H new ATOM 0 HG12 ILE B 89 14.456 2.958 7.343 1.00 0.00 H new ATOM 0 HG13 ILE B 89 13.402 4.224 7.940 1.00 0.00 H new ATOM 0 HG21 ILE B 89 12.945 2.528 4.660 1.00 0.00 H new ATOM 0 HG22 ILE B 89 13.836 3.747 3.718 1.00 0.00 H new ATOM 0 HG23 ILE B 89 14.715 2.646 4.806 1.00 0.00 H new ATOM 0 HD11 ILE B 89 12.367 2.029 8.194 1.00 0.00 H new ATOM 0 HD12 ILE B 89 11.441 3.028 7.049 1.00 0.00 H new ATOM 0 HD13 ILE B 89 12.512 1.743 6.444 1.00 0.00 H new ATOM 1449 N VAL B 90 15.876 5.571 3.720 1.00 0.00 N ATOM 1450 CA VAL B 90 15.997 6.120 2.383 1.00 0.00 C ATOM 1451 C VAL B 90 15.130 5.316 1.432 1.00 0.00 C ATOM 1452 O VAL B 90 15.356 4.124 1.224 1.00 0.00 O ATOM 1453 CB VAL B 90 17.454 6.121 1.882 1.00 0.00 C ATOM 1454 CG1 VAL B 90 17.521 6.601 0.439 1.00 0.00 C ATOM 1455 CG2 VAL B 90 18.323 6.993 2.775 1.00 0.00 C ATOM 0 H VAL B 90 16.600 4.897 3.969 1.00 0.00 H new ATOM 0 HA VAL B 90 15.665 7.157 2.417 1.00 0.00 H new ATOM 0 HB VAL B 90 17.834 5.100 1.923 1.00 0.00 H new ATOM 0 HG11 VAL B 90 18.557 6.595 0.101 1.00 0.00 H new ATOM 0 HG12 VAL B 90 16.930 5.938 -0.193 1.00 0.00 H new ATOM 0 HG13 VAL B 90 17.124 7.614 0.374 1.00 0.00 H new ATOM 0 HG21 VAL B 90 19.349 6.982 2.407 1.00 0.00 H new ATOM 0 HG22 VAL B 90 17.944 8.015 2.765 1.00 0.00 H new ATOM 0 HG23 VAL B 90 18.299 6.607 3.794 1.00 0.00 H new ATOM 1465 N VAL B 91 14.129 5.965 0.873 1.00 0.00 N ATOM 1466 CA VAL B 91 13.152 5.284 0.054 1.00 0.00 C ATOM 1467 C VAL B 91 13.022 5.944 -1.313 1.00 0.00 C ATOM 1468 O VAL B 91 12.982 7.167 -1.431 1.00 0.00 O ATOM 1469 CB VAL B 91 11.786 5.231 0.776 1.00 0.00 C ATOM 1470 CG1 VAL B 91 11.423 6.588 1.350 1.00 0.00 C ATOM 1471 CG2 VAL B 91 10.699 4.739 -0.158 1.00 0.00 C ATOM 0 H VAL B 91 13.972 6.968 0.973 1.00 0.00 H new ATOM 0 HA VAL B 91 13.496 4.262 -0.106 1.00 0.00 H new ATOM 0 HB VAL B 91 11.871 4.524 1.601 1.00 0.00 H new ATOM 0 HG11 VAL B 91 10.458 6.524 1.853 1.00 0.00 H new ATOM 0 HG12 VAL B 91 12.185 6.896 2.066 1.00 0.00 H new ATOM 0 HG13 VAL B 91 11.365 7.320 0.544 1.00 0.00 H new ATOM 0 HG21 VAL B 91 9.748 4.711 0.374 1.00 0.00 H new ATOM 0 HG22 VAL B 91 10.619 5.414 -1.010 1.00 0.00 H new ATOM 0 HG23 VAL B 91 10.948 3.738 -0.510 1.00 0.00 H new ATOM 1481 N ASN B 92 12.998 5.112 -2.340 1.00 0.00 N ATOM 1482 CA ASN B 92 12.884 5.566 -3.717 1.00 0.00 C ATOM 1483 C ASN B 92 11.997 4.618 -4.500 1.00 0.00 C ATOM 1484 O ASN B 92 11.748 3.496 -4.065 1.00 0.00 O ATOM 1485 CB ASN B 92 14.261 5.649 -4.377 1.00 0.00 C ATOM 1486 CG ASN B 92 15.309 4.848 -3.636 1.00 0.00 C ATOM 1487 OD1 ASN B 92 15.297 3.546 -3.834 1.00 0.00 O flip ATOM 1488 ND2 ASN B 92 16.087 5.390 -2.852 1.00 0.00 N flip ATOM 0 H ASN B 92 13.057 4.098 -2.243 1.00 0.00 H new ATOM 0 HA ASN B 92 12.440 6.562 -3.716 1.00 0.00 H new ATOM 0 HB2 ASN B 92 14.191 5.288 -5.403 1.00 0.00 H new ATOM 0 HB3 ASN B 92 14.574 6.692 -4.427 1.00 0.00 H new ATOM 0 HD21 ASN B 92 16.063 6.402 -2.728 1.00 0.00 H new ATOM 0 HD22 ASN B 92 16.756 4.827 -2.326 1.00 0.00 H new ATOM 1495 N ALA B 93 11.555 5.065 -5.668 1.00 0.00 N ATOM 1496 CA ALA B 93 10.615 4.312 -6.496 1.00 0.00 C ATOM 1497 C ALA B 93 11.211 2.994 -6.976 1.00 0.00 C ATOM 1498 O ALA B 93 10.490 2.102 -7.417 1.00 0.00 O ATOM 1499 CB ALA B 93 10.189 5.155 -7.685 1.00 0.00 C ATOM 0 H ALA B 93 11.836 5.959 -6.070 1.00 0.00 H new ATOM 0 HA ALA B 93 9.746 4.075 -5.883 1.00 0.00 H new ATOM 0 HB1 ALA B 93 9.488 4.590 -8.299 1.00 0.00 H new ATOM 0 HB2 ALA B 93 9.708 6.067 -7.331 1.00 0.00 H new ATOM 0 HB3 ALA B 93 11.065 5.415 -8.279 1.00 0.00 H new ATOM 1505 N ALA B 94 12.526 2.885 -6.890 1.00 0.00 N ATOM 1506 CA ALA B 94 13.224 1.673 -7.310 1.00 0.00 C ATOM 1507 C ALA B 94 13.321 0.676 -6.162 1.00 0.00 C ATOM 1508 O ALA B 94 13.662 -0.490 -6.358 1.00 0.00 O ATOM 1509 CB ALA B 94 14.612 2.020 -7.820 1.00 0.00 C ATOM 0 H ALA B 94 13.136 3.620 -6.533 1.00 0.00 H new ATOM 0 HA ALA B 94 12.653 1.211 -8.116 1.00 0.00 H new ATOM 0 HB1 ALA B 94 15.124 1.109 -8.131 1.00 0.00 H new ATOM 0 HB2 ALA B 94 14.529 2.697 -8.670 1.00 0.00 H new ATOM 0 HB3 ALA B 94 15.181 2.503 -7.026 1.00 0.00 H new ATOM 1515 N ASP B 95 13.013 1.149 -4.966 1.00 0.00 N ATOM 1516 CA ASP B 95 13.121 0.338 -3.756 1.00 0.00 C ATOM 1517 C ASP B 95 11.732 -0.001 -3.232 1.00 0.00 C ATOM 1518 O ASP B 95 11.523 -1.021 -2.577 1.00 0.00 O ATOM 1519 CB ASP B 95 13.922 1.112 -2.707 1.00 0.00 C ATOM 1520 CG ASP B 95 14.231 0.316 -1.459 1.00 0.00 C ATOM 1521 OD1 ASP B 95 14.593 -0.870 -1.576 1.00 0.00 O ATOM 1522 OD2 ASP B 95 14.164 0.899 -0.358 1.00 0.00 O ATOM 0 H ASP B 95 12.682 2.100 -4.802 1.00 0.00 H new ATOM 0 HA ASP B 95 13.636 -0.596 -3.980 1.00 0.00 H new ATOM 0 HB2 ASP B 95 14.858 1.446 -3.154 1.00 0.00 H new ATOM 0 HB3 ASP B 95 13.365 2.006 -2.427 1.00 0.00 H new ATOM 1527 N ILE B 96 10.786 0.872 -3.548 1.00 0.00 N ATOM 1528 CA ILE B 96 9.390 0.687 -3.187 1.00 0.00 C ATOM 1529 C ILE B 96 8.765 -0.455 -3.983 1.00 0.00 C ATOM 1530 O ILE B 96 8.643 -0.381 -5.207 1.00 0.00 O ATOM 1531 CB ILE B 96 8.605 1.982 -3.458 1.00 0.00 C ATOM 1532 CG1 ILE B 96 9.103 3.100 -2.554 1.00 0.00 C ATOM 1533 CG2 ILE B 96 7.113 1.768 -3.253 1.00 0.00 C ATOM 1534 CD1 ILE B 96 8.653 4.468 -3.004 1.00 0.00 C ATOM 0 H ILE B 96 10.968 1.733 -4.065 1.00 0.00 H new ATOM 0 HA ILE B 96 9.345 0.440 -2.126 1.00 0.00 H new ATOM 0 HB ILE B 96 8.770 2.266 -4.497 1.00 0.00 H new ATOM 0 HG12 ILE B 96 8.749 2.923 -1.538 1.00 0.00 H new ATOM 0 HG13 ILE B 96 10.192 3.075 -2.521 1.00 0.00 H new ATOM 0 HG21 ILE B 96 6.581 2.699 -3.451 1.00 0.00 H new ATOM 0 HG22 ILE B 96 6.759 0.996 -3.936 1.00 0.00 H new ATOM 0 HG23 ILE B 96 6.928 1.456 -2.225 1.00 0.00 H new ATOM 0 HD11 ILE B 96 9.040 5.222 -2.319 1.00 0.00 H new ATOM 0 HD12 ILE B 96 9.029 4.663 -4.008 1.00 0.00 H new ATOM 0 HD13 ILE B 96 7.564 4.509 -3.011 1.00 0.00 H new ATOM 1546 N LYS B 97 8.381 -1.508 -3.286 1.00 0.00 N ATOM 1547 CA LYS B 97 7.767 -2.661 -3.922 1.00 0.00 C ATOM 1548 C LYS B 97 6.283 -2.727 -3.583 1.00 0.00 C ATOM 1549 O LYS B 97 5.911 -3.104 -2.471 1.00 0.00 O ATOM 1550 CB LYS B 97 8.467 -3.947 -3.477 1.00 0.00 C ATOM 1551 CG LYS B 97 9.986 -3.893 -3.587 1.00 0.00 C ATOM 1552 CD LYS B 97 10.448 -3.416 -4.962 1.00 0.00 C ATOM 1553 CE LYS B 97 9.981 -4.342 -6.077 1.00 0.00 C ATOM 1554 NZ LYS B 97 10.327 -3.811 -7.422 1.00 0.00 N ATOM 0 H LYS B 97 8.484 -1.590 -2.274 1.00 0.00 H new ATOM 0 HA LYS B 97 7.874 -2.559 -5.002 1.00 0.00 H new ATOM 0 HB2 LYS B 97 8.195 -4.158 -2.443 1.00 0.00 H new ATOM 0 HB3 LYS B 97 8.098 -4.777 -4.080 1.00 0.00 H new ATOM 0 HG2 LYS B 97 10.381 -3.225 -2.821 1.00 0.00 H new ATOM 0 HG3 LYS B 97 10.398 -4.883 -3.390 1.00 0.00 H new ATOM 0 HD2 LYS B 97 10.067 -2.411 -5.143 1.00 0.00 H new ATOM 0 HD3 LYS B 97 11.536 -3.352 -4.976 1.00 0.00 H new ATOM 0 HE2 LYS B 97 10.435 -5.324 -5.947 1.00 0.00 H new ATOM 0 HE3 LYS B 97 8.902 -4.478 -6.007 1.00 0.00 H new ATOM 0 HZ1 LYS B 97 9.992 -4.471 -8.153 1.00 0.00 H new ATOM 0 HZ2 LYS B 97 9.873 -2.885 -7.557 1.00 0.00 H new ATOM 0 HZ3 LYS B 97 11.359 -3.705 -7.499 1.00 0.00 H new ATOM 1568 N ILE B 98 5.444 -2.340 -4.534 1.00 0.00 N ATOM 1569 CA ILE B 98 4.002 -2.372 -4.343 1.00 0.00 C ATOM 1570 C ILE B 98 3.374 -3.507 -5.147 1.00 0.00 C ATOM 1571 O ILE B 98 3.505 -3.563 -6.375 1.00 0.00 O ATOM 1572 CB ILE B 98 3.349 -1.036 -4.752 1.00 0.00 C ATOM 1573 CG1 ILE B 98 3.991 0.120 -3.985 1.00 0.00 C ATOM 1574 CG2 ILE B 98 1.848 -1.076 -4.503 1.00 0.00 C ATOM 1575 CD1 ILE B 98 3.359 1.463 -4.265 1.00 0.00 C ATOM 0 H ILE B 98 5.740 -1.999 -5.449 1.00 0.00 H new ATOM 0 HA ILE B 98 3.822 -2.538 -3.281 1.00 0.00 H new ATOM 0 HB ILE B 98 3.513 -0.880 -5.818 1.00 0.00 H new ATOM 0 HG12 ILE B 98 3.927 -0.085 -2.916 1.00 0.00 H new ATOM 0 HG13 ILE B 98 5.050 0.168 -4.238 1.00 0.00 H new ATOM 0 HG21 ILE B 98 1.405 -0.125 -4.798 1.00 0.00 H new ATOM 0 HG22 ILE B 98 1.403 -1.880 -5.089 1.00 0.00 H new ATOM 0 HG23 ILE B 98 1.659 -1.252 -3.444 1.00 0.00 H new ATOM 0 HD11 ILE B 98 3.868 2.233 -3.685 1.00 0.00 H new ATOM 0 HD12 ILE B 98 3.446 1.692 -5.327 1.00 0.00 H new ATOM 0 HD13 ILE B 98 2.306 1.435 -3.985 1.00 0.00 H new ATOM 1587 N PHE B 99 2.692 -4.402 -4.450 1.00 0.00 N ATOM 1588 CA PHE B 99 2.058 -5.555 -5.073 1.00 0.00 C ATOM 1589 C PHE B 99 0.643 -5.731 -4.540 1.00 0.00 C ATOM 1590 O PHE B 99 0.434 -5.884 -3.334 1.00 0.00 O ATOM 1591 CB PHE B 99 2.864 -6.829 -4.806 1.00 0.00 C ATOM 1592 CG PHE B 99 4.168 -6.922 -5.555 1.00 0.00 C ATOM 1593 CD1 PHE B 99 5.319 -6.329 -5.060 1.00 0.00 C ATOM 1594 CD2 PHE B 99 4.241 -7.619 -6.750 1.00 0.00 C ATOM 1595 CE1 PHE B 99 6.515 -6.429 -5.745 1.00 0.00 C ATOM 1596 CE2 PHE B 99 5.435 -7.720 -7.439 1.00 0.00 C ATOM 1597 CZ PHE B 99 6.573 -7.124 -6.936 1.00 0.00 C ATOM 0 H PHE B 99 2.562 -4.351 -3.440 1.00 0.00 H new ATOM 0 HA PHE B 99 2.021 -5.379 -6.148 1.00 0.00 H new ATOM 0 HB2 PHE B 99 3.070 -6.894 -3.738 1.00 0.00 H new ATOM 0 HB3 PHE B 99 2.250 -7.691 -5.066 1.00 0.00 H new ATOM 0 HD1 PHE B 99 5.281 -5.783 -4.129 1.00 0.00 H new ATOM 0 HD2 PHE B 99 3.354 -8.089 -7.148 1.00 0.00 H new ATOM 0 HE1 PHE B 99 7.405 -5.963 -5.348 1.00 0.00 H new ATOM 0 HE2 PHE B 99 5.477 -8.265 -8.370 1.00 0.00 H new ATOM 0 HZ PHE B 99 7.507 -7.201 -7.473 1.00 0.00 H new ATOM 1607 N HIS B 100 -0.328 -5.696 -5.436 1.00 0.00 N ATOM 1608 CA HIS B 100 -1.720 -5.881 -5.054 1.00 0.00 C ATOM 1609 C HIS B 100 -2.141 -7.329 -5.262 1.00 0.00 C ATOM 1610 O HIS B 100 -2.250 -7.796 -6.396 1.00 0.00 O ATOM 1611 CB HIS B 100 -2.643 -4.951 -5.853 1.00 0.00 C ATOM 1612 CG HIS B 100 -4.104 -5.176 -5.585 1.00 0.00 C ATOM 1613 ND1 HIS B 100 -5.021 -5.460 -6.576 1.00 0.00 N ATOM 1614 CD2 HIS B 100 -4.801 -5.184 -4.421 1.00 0.00 C ATOM 1615 CE1 HIS B 100 -6.209 -5.638 -6.034 1.00 0.00 C ATOM 1616 NE2 HIS B 100 -6.105 -5.476 -4.730 1.00 0.00 N ATOM 0 H HIS B 100 -0.180 -5.541 -6.433 1.00 0.00 H new ATOM 0 HA HIS B 100 -1.810 -5.630 -3.997 1.00 0.00 H new ATOM 0 HB2 HIS B 100 -2.394 -3.916 -5.617 1.00 0.00 H new ATOM 0 HB3 HIS B 100 -2.452 -5.090 -6.917 1.00 0.00 H new ATOM 0 HD1 HIS B 100 -4.812 -5.522 -7.572 1.00 0.00 H new ATOM 0 HD2 HIS B 100 -4.403 -4.996 -3.435 1.00 0.00 H new ATOM 0 HE1 HIS B 100 -7.116 -5.877 -6.569 1.00 0.00 H new ATOM 1625 N ILE B 101 -2.372 -8.033 -4.168 1.00 0.00 N ATOM 1626 CA ILE B 101 -2.903 -9.380 -4.241 1.00 0.00 C ATOM 1627 C ILE B 101 -4.420 -9.329 -4.165 1.00 0.00 C ATOM 1628 O ILE B 101 -4.992 -9.045 -3.110 1.00 0.00 O ATOM 1629 CB ILE B 101 -2.372 -10.304 -3.118 1.00 0.00 C ATOM 1630 CG1 ILE B 101 -0.888 -10.613 -3.298 1.00 0.00 C ATOM 1631 CG2 ILE B 101 -3.148 -11.606 -3.095 1.00 0.00 C ATOM 1632 CD1 ILE B 101 0.031 -9.492 -2.906 1.00 0.00 C ATOM 0 H ILE B 101 -2.200 -7.694 -3.221 1.00 0.00 H new ATOM 0 HA ILE B 101 -2.571 -9.801 -5.190 1.00 0.00 H new ATOM 0 HB ILE B 101 -2.506 -9.775 -2.175 1.00 0.00 H new ATOM 0 HG12 ILE B 101 -0.639 -11.494 -2.707 1.00 0.00 H new ATOM 0 HG13 ILE B 101 -0.706 -10.867 -4.342 1.00 0.00 H new ATOM 0 HG21 ILE B 101 -2.763 -12.245 -2.300 1.00 0.00 H new ATOM 0 HG22 ILE B 101 -4.203 -11.398 -2.915 1.00 0.00 H new ATOM 0 HG23 ILE B 101 -3.037 -12.113 -4.054 1.00 0.00 H new ATOM 0 HD11 ILE B 101 1.065 -9.797 -3.066 1.00 0.00 H new ATOM 0 HD12 ILE B 101 -0.187 -8.614 -3.514 1.00 0.00 H new ATOM 0 HD13 ILE B 101 -0.118 -9.251 -1.853 1.00 0.00 H new ATOM 1644 N ARG B 102 -5.066 -9.584 -5.289 1.00 0.00 N ATOM 1645 CA ARG B 102 -6.522 -9.570 -5.349 1.00 0.00 C ATOM 1646 C ARG B 102 -7.108 -10.803 -4.670 1.00 0.00 C ATOM 1647 O ARG B 102 -8.246 -10.784 -4.216 1.00 0.00 O ATOM 1648 CB ARG B 102 -6.996 -9.467 -6.798 1.00 0.00 C ATOM 1649 CG ARG B 102 -6.298 -10.430 -7.740 1.00 0.00 C ATOM 1650 CD ARG B 102 -6.764 -10.242 -9.169 1.00 0.00 C ATOM 1651 NE ARG B 102 -8.178 -10.566 -9.337 1.00 0.00 N ATOM 1652 CZ ARG B 102 -8.779 -10.685 -10.518 1.00 0.00 C ATOM 1653 NH1 ARG B 102 -8.097 -10.477 -11.640 1.00 0.00 N ATOM 1654 NH2 ARG B 102 -10.064 -11.011 -10.575 1.00 0.00 N ATOM 0 H ARG B 102 -4.608 -9.803 -6.174 1.00 0.00 H new ATOM 0 HA ARG B 102 -6.878 -8.692 -4.809 1.00 0.00 H new ATOM 0 HB2 ARG B 102 -8.070 -9.653 -6.833 1.00 0.00 H new ATOM 0 HB3 ARG B 102 -6.837 -8.448 -7.151 1.00 0.00 H new ATOM 0 HG2 ARG B 102 -5.220 -10.278 -7.684 1.00 0.00 H new ATOM 0 HG3 ARG B 102 -6.492 -11.455 -7.424 1.00 0.00 H new ATOM 0 HD2 ARG B 102 -6.591 -9.209 -9.472 1.00 0.00 H new ATOM 0 HD3 ARG B 102 -6.168 -10.872 -9.829 1.00 0.00 H new ATOM 0 HE ARG B 102 -8.739 -10.710 -8.498 1.00 0.00 H new ATOM 0 HH11 ARG B 102 -7.109 -10.225 -11.597 1.00 0.00 H new ATOM 0 HH12 ARG B 102 -8.561 -10.569 -12.544 1.00 0.00 H new ATOM 0 HH21 ARG B 102 -10.589 -11.170 -9.715 1.00 0.00 H new ATOM 0 HH22 ARG B 102 -10.527 -11.103 -11.479 1.00 0.00 H new ATOM 1668 N LYS B 103 -6.314 -11.863 -4.578 1.00 0.00 N ATOM 1669 CA LYS B 103 -6.736 -13.087 -3.901 1.00 0.00 C ATOM 1670 C LYS B 103 -7.054 -12.808 -2.431 1.00 0.00 C ATOM 1671 O LYS B 103 -8.100 -13.206 -1.919 1.00 0.00 O ATOM 1672 CB LYS B 103 -5.636 -14.151 -4.013 1.00 0.00 C ATOM 1673 CG LYS B 103 -5.970 -15.463 -3.320 1.00 0.00 C ATOM 1674 CD LYS B 103 -4.903 -16.522 -3.568 1.00 0.00 C ATOM 1675 CE LYS B 103 -3.569 -16.159 -2.927 1.00 0.00 C ATOM 1676 NZ LYS B 103 -2.517 -17.162 -3.245 1.00 0.00 N ATOM 0 H LYS B 103 -5.371 -11.901 -4.965 1.00 0.00 H new ATOM 0 HA LYS B 103 -7.641 -13.458 -4.383 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -5.442 -14.348 -5.067 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -4.715 -13.752 -3.588 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -6.071 -15.292 -2.248 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -6.933 -15.827 -3.677 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -5.245 -17.479 -3.173 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -4.765 -16.651 -4.641 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -3.253 -15.176 -3.276 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -3.691 -16.089 -1.846 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -1.590 -16.802 -2.939 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -2.724 -18.052 -2.748 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -2.500 -17.334 -4.270 1.00 0.00 H new ATOM 1690 N GLU B 104 -6.151 -12.098 -1.771 1.00 0.00 N ATOM 1691 CA GLU B 104 -6.308 -11.765 -0.363 1.00 0.00 C ATOM 1692 C GLU B 104 -6.989 -10.412 -0.204 1.00 0.00 C ATOM 1693 O GLU B 104 -7.260 -9.969 0.912 1.00 0.00 O ATOM 1694 CB GLU B 104 -4.939 -11.728 0.325 1.00 0.00 C ATOM 1695 CG GLU B 104 -4.158 -13.028 0.219 1.00 0.00 C ATOM 1696 CD GLU B 104 -4.837 -14.176 0.930 1.00 0.00 C ATOM 1697 OE1 GLU B 104 -4.636 -14.322 2.156 1.00 0.00 O ATOM 1698 OE2 GLU B 104 -5.575 -14.937 0.269 1.00 0.00 O ATOM 0 H GLU B 104 -5.295 -11.739 -2.193 1.00 0.00 H new ATOM 0 HA GLU B 104 -6.929 -12.531 0.101 1.00 0.00 H new ATOM 0 HB2 GLU B 104 -4.346 -10.924 -0.111 1.00 0.00 H new ATOM 0 HB3 GLU B 104 -5.080 -11.486 1.378 1.00 0.00 H new ATOM 0 HG2 GLU B 104 -4.027 -13.284 -0.832 1.00 0.00 H new ATOM 0 HG3 GLU B 104 -3.162 -12.884 0.638 1.00 0.00 H new ATOM 1705 N ARG B 105 -7.246 -9.760 -1.342 1.00 0.00 N ATOM 1706 CA ARG B 105 -7.823 -8.415 -1.373 1.00 0.00 C ATOM 1707 C ARG B 105 -6.935 -7.446 -0.604 1.00 0.00 C ATOM 1708 O ARG B 105 -7.414 -6.494 0.015 1.00 0.00 O ATOM 1709 CB ARG B 105 -9.238 -8.417 -0.781 1.00 0.00 C ATOM 1710 CG ARG B 105 -10.183 -9.385 -1.469 1.00 0.00 C ATOM 1711 CD ARG B 105 -10.441 -8.991 -2.912 1.00 0.00 C ATOM 1712 NE ARG B 105 -11.267 -9.970 -3.611 1.00 0.00 N ATOM 1713 CZ ARG B 105 -11.324 -10.078 -4.938 1.00 0.00 C ATOM 1714 NH1 ARG B 105 -10.625 -9.250 -5.706 1.00 0.00 N ATOM 1715 NH2 ARG B 105 -12.082 -11.010 -5.497 1.00 0.00 N ATOM 0 H ARG B 105 -7.060 -10.150 -2.266 1.00 0.00 H new ATOM 0 HA ARG B 105 -7.885 -8.092 -2.412 1.00 0.00 H new ATOM 0 HB2 ARG B 105 -9.180 -8.670 0.278 1.00 0.00 H new ATOM 0 HB3 ARG B 105 -9.651 -7.411 -0.846 1.00 0.00 H new ATOM 0 HG2 ARG B 105 -9.761 -10.390 -1.436 1.00 0.00 H new ATOM 0 HG3 ARG B 105 -11.128 -9.418 -0.927 1.00 0.00 H new ATOM 0 HD2 ARG B 105 -10.932 -8.018 -2.939 1.00 0.00 H new ATOM 0 HD3 ARG B 105 -9.490 -8.882 -3.433 1.00 0.00 H new ATOM 0 HE ARG B 105 -11.833 -10.608 -3.052 1.00 0.00 H new ATOM 0 HH11 ARG B 105 -10.042 -8.529 -5.280 1.00 0.00 H new ATOM 0 HH12 ARG B 105 -10.671 -9.335 -6.721 1.00 0.00 H new ATOM 0 HH21 ARG B 105 -12.623 -11.646 -4.911 1.00 0.00 H new ATOM 0 HH22 ARG B 105 -12.124 -11.091 -6.513 1.00 0.00 H new ATOM 1729 N THR B 106 -5.630 -7.675 -0.670 1.00 0.00 N ATOM 1730 CA THR B 106 -4.699 -6.962 0.177 1.00 0.00 C ATOM 1731 C THR B 106 -3.563 -6.356 -0.640 1.00 0.00 C ATOM 1732 O THR B 106 -3.087 -6.958 -1.606 1.00 0.00 O ATOM 1733 CB THR B 106 -4.127 -7.907 1.253 1.00 0.00 C ATOM 1734 OG1 THR B 106 -5.197 -8.527 1.982 1.00 0.00 O ATOM 1735 CG2 THR B 106 -3.228 -7.158 2.217 1.00 0.00 C ATOM 0 H THR B 106 -5.198 -8.349 -1.302 1.00 0.00 H new ATOM 0 HA THR B 106 -5.240 -6.150 0.663 1.00 0.00 H new ATOM 0 HB THR B 106 -3.535 -8.671 0.749 1.00 0.00 H new ATOM 0 HG1 THR B 106 -5.851 -8.896 1.352 1.00 0.00 H new ATOM 0 HG21 THR B 106 -2.839 -7.850 2.964 1.00 0.00 H new ATOM 0 HG22 THR B 106 -2.398 -6.712 1.669 1.00 0.00 H new ATOM 0 HG23 THR B 106 -3.799 -6.373 2.712 1.00 0.00 H new ATOM 1743 N LEU B 107 -3.150 -5.157 -0.260 1.00 0.00 N ATOM 1744 CA LEU B 107 -2.045 -4.485 -0.918 1.00 0.00 C ATOM 1745 C LEU B 107 -0.816 -4.495 -0.015 1.00 0.00 C ATOM 1746 O LEU B 107 -0.854 -3.987 1.109 1.00 0.00 O ATOM 1747 CB LEU B 107 -2.435 -3.047 -1.275 1.00 0.00 C ATOM 1748 CG LEU B 107 -1.357 -2.234 -1.993 1.00 0.00 C ATOM 1749 CD1 LEU B 107 -0.948 -2.912 -3.285 1.00 0.00 C ATOM 1750 CD2 LEU B 107 -1.854 -0.832 -2.278 1.00 0.00 C ATOM 0 H LEU B 107 -3.568 -4.628 0.506 1.00 0.00 H new ATOM 0 HA LEU B 107 -1.807 -5.017 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU B 107 -3.324 -3.075 -1.905 1.00 0.00 H new ATOM 0 HB3 LEU B 107 -2.710 -2.525 -0.358 1.00 0.00 H new ATOM 0 HG LEU B 107 -0.486 -2.173 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU B 107 -0.180 -2.318 -3.781 1.00 0.00 H new ATOM 0 HD12 LEU B 107 -0.554 -3.904 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU B 107 -1.815 -3.002 -3.939 1.00 0.00 H new ATOM 0 HD21 LEU B 107 -1.075 -0.267 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU B 107 -2.740 -0.882 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU B 107 -2.105 -0.337 -1.340 1.00 0.00 H new ATOM 1762 N TYR B 108 0.259 -5.093 -0.502 1.00 0.00 N ATOM 1763 CA TYR B 108 1.484 -5.210 0.273 1.00 0.00 C ATOM 1764 C TYR B 108 2.518 -4.194 -0.185 1.00 0.00 C ATOM 1765 O TYR B 108 2.783 -4.052 -1.382 1.00 0.00 O ATOM 1766 CB TYR B 108 2.062 -6.620 0.151 1.00 0.00 C ATOM 1767 CG TYR B 108 1.149 -7.704 0.673 1.00 0.00 C ATOM 1768 CD1 TYR B 108 -0.007 -8.042 -0.009 1.00 0.00 C ATOM 1769 CD2 TYR B 108 1.441 -8.385 1.845 1.00 0.00 C ATOM 1770 CE1 TYR B 108 -0.850 -9.026 0.456 1.00 0.00 C ATOM 1771 CE2 TYR B 108 0.602 -9.376 2.320 1.00 0.00 C ATOM 1772 CZ TYR B 108 -0.544 -9.691 1.620 1.00 0.00 C ATOM 1773 OH TYR B 108 -1.384 -10.680 2.083 1.00 0.00 O ATOM 0 H TYR B 108 0.308 -5.506 -1.433 1.00 0.00 H new ATOM 0 HA TYR B 108 1.238 -5.012 1.316 1.00 0.00 H new ATOM 0 HB2 TYR B 108 2.286 -6.821 -0.897 1.00 0.00 H new ATOM 0 HB3 TYR B 108 3.007 -6.663 0.693 1.00 0.00 H new ATOM 0 HD1 TYR B 108 -0.253 -7.524 -0.924 1.00 0.00 H new ATOM 0 HD2 TYR B 108 2.337 -8.138 2.395 1.00 0.00 H new ATOM 0 HE1 TYR B 108 -1.748 -9.275 -0.091 1.00 0.00 H new ATOM 0 HE2 TYR B 108 0.842 -9.900 3.233 1.00 0.00 H new ATOM 0 HH TYR B 108 -1.831 -11.111 1.325 1.00 0.00 H new ATOM 1783 N ILE B 109 3.082 -3.481 0.775 1.00 0.00 N ATOM 1784 CA ILE B 109 4.127 -2.508 0.510 1.00 0.00 C ATOM 1785 C ILE B 109 5.425 -2.948 1.173 1.00 0.00 C ATOM 1786 O ILE B 109 5.476 -3.127 2.391 1.00 0.00 O ATOM 1787 CB ILE B 109 3.744 -1.117 1.058 1.00 0.00 C ATOM 1788 CG1 ILE B 109 2.352 -0.697 0.572 1.00 0.00 C ATOM 1789 CG2 ILE B 109 4.784 -0.074 0.670 1.00 0.00 C ATOM 1790 CD1 ILE B 109 2.236 -0.573 -0.930 1.00 0.00 C ATOM 0 H ILE B 109 2.828 -3.561 1.760 1.00 0.00 H new ATOM 0 HA ILE B 109 4.255 -2.444 -0.571 1.00 0.00 H new ATOM 0 HB ILE B 109 3.717 -1.184 2.146 1.00 0.00 H new ATOM 0 HG12 ILE B 109 1.621 -1.425 0.924 1.00 0.00 H new ATOM 0 HG13 ILE B 109 2.093 0.259 1.026 1.00 0.00 H new ATOM 0 HG21 ILE B 109 4.491 0.898 1.068 1.00 0.00 H new ATOM 0 HG22 ILE B 109 5.754 -0.357 1.080 1.00 0.00 H new ATOM 0 HG23 ILE B 109 4.853 -0.015 -0.416 1.00 0.00 H new ATOM 0 HD11 ILE B 109 1.222 -0.273 -1.193 1.00 0.00 H new ATOM 0 HD12 ILE B 109 2.941 0.177 -1.289 1.00 0.00 H new ATOM 0 HD13 ILE B 109 2.461 -1.534 -1.393 1.00 0.00 H new ATOM 1802 N TYR B 110 6.463 -3.143 0.378 1.00 0.00 N ATOM 1803 CA TYR B 110 7.770 -3.498 0.910 1.00 0.00 C ATOM 1804 C TYR B 110 8.792 -2.450 0.497 1.00 0.00 C ATOM 1805 O TYR B 110 8.911 -2.128 -0.684 1.00 0.00 O ATOM 1806 CB TYR B 110 8.214 -4.876 0.410 1.00 0.00 C ATOM 1807 CG TYR B 110 7.273 -6.009 0.761 1.00 0.00 C ATOM 1808 CD1 TYR B 110 6.188 -6.311 -0.051 1.00 0.00 C ATOM 1809 CD2 TYR B 110 7.483 -6.788 1.894 1.00 0.00 C ATOM 1810 CE1 TYR B 110 5.337 -7.352 0.256 1.00 0.00 C ATOM 1811 CE2 TYR B 110 6.637 -7.836 2.203 1.00 0.00 C ATOM 1812 CZ TYR B 110 5.566 -8.113 1.382 1.00 0.00 C ATOM 1813 OH TYR B 110 4.723 -9.158 1.686 1.00 0.00 O ATOM 0 H TYR B 110 6.428 -3.062 -0.638 1.00 0.00 H new ATOM 0 HA TYR B 110 7.698 -3.536 1.997 1.00 0.00 H new ATOM 0 HB2 TYR B 110 8.325 -4.836 -0.674 1.00 0.00 H new ATOM 0 HB3 TYR B 110 9.198 -5.098 0.823 1.00 0.00 H new ATOM 0 HD1 TYR B 110 6.007 -5.721 -0.937 1.00 0.00 H new ATOM 0 HD2 TYR B 110 8.319 -6.571 2.542 1.00 0.00 H new ATOM 0 HE1 TYR B 110 4.494 -7.570 -0.383 1.00 0.00 H new ATOM 0 HE2 TYR B 110 6.815 -8.435 3.084 1.00 0.00 H new ATOM 0 HH TYR B 110 4.870 -9.438 2.613 1.00 0.00 H new ATOM 1823 N ILE B 111 9.506 -1.906 1.465 1.00 0.00 N ATOM 1824 CA ILE B 111 10.506 -0.887 1.192 1.00 0.00 C ATOM 1825 C ILE B 111 11.818 -1.257 1.869 1.00 0.00 C ATOM 1826 O ILE B 111 11.985 -0.939 3.063 1.00 0.00 O ATOM 1827 CB ILE B 111 10.046 0.509 1.675 1.00 0.00 C ATOM 1828 CG1 ILE B 111 8.702 0.876 1.036 1.00 0.00 C ATOM 1829 CG2 ILE B 111 11.098 1.562 1.343 1.00 0.00 C ATOM 1830 CD1 ILE B 111 8.119 2.178 1.538 1.00 0.00 C ATOM 1831 OXT ILE B 111 12.669 -1.891 1.216 1.00 0.00 O ATOM 0 H ILE B 111 9.413 -2.153 2.450 1.00 0.00 H new ATOM 0 HA ILE B 111 10.647 -0.839 0.112 1.00 0.00 H new ATOM 0 HB ILE B 111 9.920 0.477 2.757 1.00 0.00 H new ATOM 0 HG12 ILE B 111 8.830 0.940 -0.045 1.00 0.00 H new ATOM 0 HG13 ILE B 111 7.989 0.073 1.226 1.00 0.00 H new ATOM 0 HG21 ILE B 111 10.758 2.538 1.690 1.00 0.00 H new ATOM 0 HG22 ILE B 111 12.036 1.308 1.837 1.00 0.00 H new ATOM 0 HG23 ILE B 111 11.253 1.594 0.265 1.00 0.00 H new ATOM 0 HD11 ILE B 111 7.169 2.368 1.039 1.00 0.00 H new ATOM 0 HD12 ILE B 111 7.957 2.113 2.614 1.00 0.00 H new ATOM 0 HD13 ILE B 111 8.810 2.993 1.324 1.00 0.00 H new TER 1843 ILE B 111