USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1077 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 121 MET CE :methyl -173:sc= 0 (180deg=-0.0298) USER MOD Set 1.2: B 137 TYR OH : rot 29:sc= 1.39 USER MOD Set 2.1: B 84 THR OG1 : rot 95:sc= 2.24 USER MOD Set 2.2: B 111 LYS NZ :NH3+ 168:sc= 1.16 (180deg=0) USER MOD Set 3.1: B 77 HIS : no HE2:sc= 0.641 K(o=2,f=-2.6) USER MOD Set 3.2: B 117 SER OG : rot -67:sc= 1.4 USER MOD Set 4.1: A 54 THR OG1 : rot 180:sc= 0.669 USER MOD Set 4.2: A 57 THR OG1 : rot 62:sc= 0.198 USER MOD Set 5.1: A 17 SER OG : rot -48:sc= 1.69 USER MOD Set 5.2: A 18 CYS SG : rot 93:sc= 1.4 USER MOD Set 5.3: A 21 THR OG1 : rot 64:sc= 1.62 USER MOD Set 5.4: B 133 LYS NZ :NH3+ 176:sc= 2.68 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0.253 X(o=0.25,f=0) USER MOD Single : A 5 SER OG : rot 180:sc=-0.00202 USER MOD Single : A 7 THR OG1 : rot 148:sc= 1.26 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 149:sc= -0.21 (180deg=-0.849) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= 0.266 X(o=0.27,f=-0.039) USER MOD Single : A 25 GLN : amide:sc= 0.356 K(o=0.36,f=-1.6) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc=-0.00491 K(o=-0.0049,f=-0.89) USER MOD Single : A 33 HIS : no HD1:sc= -0.223 X(o=-0.22,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -126:sc= 0.845 (180deg=-0.145) USER MOD Single : A 43 ASN : amide:sc= -0.542 X(o=-0.54,f=-0.49) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.642 K(o=-0.64,f=-3.2!) USER MOD Single : A 56 LYS NZ :NH3+ -162:sc= 1.18 (180deg=0.958) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 65 MET CE :methyl -116:sc= 0 (180deg=-0.22) USER MOD Single : A 72 HIS : no HD1:sc= -0.346 X(o=-0.35,f=-0.49) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 76 LYS NZ :NH3+ -168:sc= 1.1 (180deg=0.979) USER MOD Single : B 80 SER OG : rot 38:sc= 0.295 USER MOD Single : B 83 MET CE :methyl -120:sc= 0 (180deg=-0.966) USER MOD Single : B 88 CYS SG : rot 180:sc= -1.9! USER MOD Single : B 93 SER OG : rot 180:sc= 0 USER MOD Single : B 97 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : B 98 LYS NZ :NH3+ -122:sc= 0.448 (180deg=0.0635) USER MOD Single : B 103 LYS NZ :NH3+ -164:sc= 0.0269 (180deg=0) USER MOD Single : B 104 TYR OH : rot 180:sc= -0.123 USER MOD Single : B 110 ASN : amide:sc=-0.00119 K(o=-0.0012,f=-1.5) USER MOD Single : B 112 LYS NZ :NH3+ 153:sc= 0.854 (180deg=0.406) USER MOD Single : B 114 CYS SG : rot 180:sc= -1.76! USER MOD Single : B 119 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.23) USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 123 THR OG1 : rot 180:sc= 0 USER MOD Single : B 127 THR OG1 : rot 82:sc= 1.23 USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 131 THR OG1 : rot -75:sc= 1.24 USER MOD Single : B 134 THR OG1 : rot 180:sc= 0 USER MOD Single : B 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -9.255 -6.029 26.434 1.00 0.00 N ATOM 21 CA GLY A 2 -7.853 -6.454 26.439 1.00 0.00 C ATOM 22 C GLY A 2 -7.368 -6.917 25.069 1.00 0.00 C ATOM 23 O GLY A 2 -7.872 -6.449 24.053 1.00 0.00 O ATOM 0 HA2 GLY A 2 -7.229 -5.627 26.779 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -7.727 -7.265 27.157 1.00 0.00 H new ATOM 27 N VAL A 3 -6.398 -7.830 25.034 1.00 0.00 N ATOM 28 CA VAL A 3 -5.874 -8.387 23.772 1.00 0.00 C ATOM 29 C VAL A 3 -6.928 -9.192 22.994 1.00 0.00 C ATOM 30 O VAL A 3 -7.607 -10.058 23.550 1.00 0.00 O ATOM 31 CB VAL A 3 -4.599 -9.243 23.963 1.00 0.00 C ATOM 32 CG1 VAL A 3 -3.398 -8.347 24.298 1.00 0.00 C ATOM 33 CG2 VAL A 3 -4.728 -10.379 24.992 1.00 0.00 C ATOM 0 H VAL A 3 -5.951 -8.207 25.870 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.603 -7.512 23.181 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.442 -9.742 23.007 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.509 -8.964 24.429 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.233 -7.641 23.484 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.598 -7.799 25.219 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.785 -10.921 25.055 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.972 -9.960 25.968 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.519 -11.062 24.683 1.00 0.00 H new ATOM 43 N ASN A 4 -7.046 -8.907 21.691 1.00 0.00 N ATOM 44 CA ASN A 4 -7.918 -9.619 20.750 1.00 0.00 C ATOM 45 C ASN A 4 -7.102 -10.162 19.562 1.00 0.00 C ATOM 46 O ASN A 4 -6.414 -9.409 18.878 1.00 0.00 O ATOM 47 CB ASN A 4 -9.034 -8.678 20.263 1.00 0.00 C ATOM 48 CG ASN A 4 -10.100 -8.429 21.324 1.00 0.00 C ATOM 49 OD1 ASN A 4 -11.197 -8.977 21.262 1.00 0.00 O ATOM 50 ND2 ASN A 4 -9.836 -7.617 22.326 1.00 0.00 N ATOM 0 H ASN A 4 -6.521 -8.152 21.250 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.373 -10.468 21.260 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.596 -7.726 19.964 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.503 -9.105 19.377 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.540 -7.447 23.044 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.927 -7.158 22.385 1.00 0.00 H new ATOM 57 N SER A 5 -7.169 -11.467 19.295 1.00 0.00 N ATOM 58 CA SER A 5 -6.433 -12.134 18.209 1.00 0.00 C ATOM 59 C SER A 5 -7.316 -12.352 16.966 1.00 0.00 C ATOM 60 O SER A 5 -8.457 -12.811 17.086 1.00 0.00 O ATOM 61 CB SER A 5 -5.898 -13.491 18.691 1.00 0.00 C ATOM 62 OG SER A 5 -4.940 -13.344 19.731 1.00 0.00 O ATOM 0 H SER A 5 -7.748 -12.108 19.837 1.00 0.00 H new ATOM 0 HA SER A 5 -5.606 -11.482 17.930 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.727 -14.103 19.045 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.446 -14.021 17.853 1.00 0.00 H new ATOM 0 HG SER A 5 -4.624 -14.228 20.012 1.00 0.00 H new ATOM 68 N VAL A 6 -6.791 -12.075 15.767 1.00 0.00 N ATOM 69 CA VAL A 6 -7.520 -12.261 14.494 1.00 0.00 C ATOM 70 C VAL A 6 -6.566 -12.615 13.345 1.00 0.00 C ATOM 71 O VAL A 6 -5.395 -12.224 13.361 1.00 0.00 O ATOM 72 CB VAL A 6 -8.404 -11.025 14.175 1.00 0.00 C ATOM 73 CG1 VAL A 6 -7.569 -9.772 13.882 1.00 0.00 C ATOM 74 CG2 VAL A 6 -9.382 -11.245 13.009 1.00 0.00 C ATOM 0 H VAL A 6 -5.845 -11.714 15.645 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.191 -13.112 14.609 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.987 -10.876 15.084 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.233 -8.935 13.665 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.955 -9.533 14.750 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.925 -9.957 13.022 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.964 -10.338 12.846 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.822 -11.484 12.105 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -10.054 -12.069 13.248 1.00 0.00 H new ATOM 84 N THR A 7 -7.077 -13.363 12.358 1.00 0.00 N ATOM 85 CA THR A 7 -6.322 -13.858 11.192 1.00 0.00 C ATOM 86 C THR A 7 -7.045 -13.526 9.886 1.00 0.00 C ATOM 87 O THR A 7 -8.253 -13.714 9.757 1.00 0.00 O ATOM 88 CB THR A 7 -6.086 -15.374 11.279 1.00 0.00 C ATOM 89 OG1 THR A 7 -5.697 -15.761 12.579 1.00 0.00 O ATOM 90 CG2 THR A 7 -4.971 -15.820 10.333 1.00 0.00 C ATOM 0 H THR A 7 -8.056 -13.651 12.346 1.00 0.00 H new ATOM 0 HA THR A 7 -5.356 -13.354 11.200 1.00 0.00 H new ATOM 0 HB THR A 7 -7.032 -15.841 11.006 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.038 -16.660 12.768 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.830 -16.897 10.419 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.243 -15.571 9.307 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.044 -15.310 10.597 1.00 0.00 H new ATOM 98 N ILE A 8 -6.298 -13.051 8.890 1.00 0.00 N ATOM 99 CA ILE A 8 -6.781 -12.658 7.560 1.00 0.00 C ATOM 100 C ILE A 8 -5.924 -13.340 6.485 1.00 0.00 C ATOM 101 O ILE A 8 -4.709 -13.172 6.432 1.00 0.00 O ATOM 102 CB ILE A 8 -6.771 -11.107 7.442 1.00 0.00 C ATOM 103 CG1 ILE A 8 -7.682 -10.504 8.543 1.00 0.00 C ATOM 104 CG2 ILE A 8 -7.198 -10.615 6.043 1.00 0.00 C ATOM 105 CD1 ILE A 8 -7.950 -9.000 8.437 1.00 0.00 C ATOM 0 H ILE A 8 -5.291 -12.922 8.990 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.810 -12.986 7.411 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.746 -10.766 7.584 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.638 -11.027 8.523 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.229 -10.706 9.514 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.173 -9.526 6.017 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.513 -11.012 5.293 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.210 -10.960 5.829 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.597 -8.687 9.256 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.006 -8.457 8.492 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.438 -8.783 7.487 1.00 0.00 H new ATOM 117 N SER A 9 -6.542 -14.092 5.586 1.00 0.00 N ATOM 118 CA SER A 9 -5.934 -14.499 4.318 1.00 0.00 C ATOM 119 C SER A 9 -5.749 -13.238 3.454 1.00 0.00 C ATOM 120 O SER A 9 -6.729 -12.756 2.885 1.00 0.00 O ATOM 121 CB SER A 9 -6.861 -15.505 3.608 1.00 0.00 C ATOM 122 OG SER A 9 -7.267 -16.575 4.453 1.00 0.00 O ATOM 0 H SER A 9 -7.491 -14.443 5.714 1.00 0.00 H new ATOM 0 HA SER A 9 -4.969 -14.977 4.486 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.745 -14.982 3.243 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.348 -15.912 2.736 1.00 0.00 H new ATOM 0 HG SER A 9 -7.854 -17.181 3.954 1.00 0.00 H new ATOM 128 N VAL A 10 -4.544 -12.660 3.365 1.00 0.00 N ATOM 129 CA VAL A 10 -4.254 -11.526 2.471 1.00 0.00 C ATOM 130 C VAL A 10 -3.755 -12.120 1.158 1.00 0.00 C ATOM 131 O VAL A 10 -2.561 -12.201 0.884 1.00 0.00 O ATOM 132 CB VAL A 10 -3.292 -10.469 3.059 1.00 0.00 C ATOM 133 CG1 VAL A 10 -3.063 -9.300 2.075 1.00 0.00 C ATOM 134 CG2 VAL A 10 -3.902 -9.854 4.325 1.00 0.00 C ATOM 0 H VAL A 10 -3.739 -12.965 3.912 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.166 -10.950 2.318 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.352 -10.980 3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.382 -8.576 2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.631 -9.682 1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.015 -8.816 1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.218 -9.110 4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.851 -9.378 4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.071 -10.637 5.065 1.00 0.00 H new ATOM 144 N GLU A 11 -4.713 -12.587 0.363 1.00 0.00 N ATOM 145 CA GLU A 11 -4.510 -13.293 -0.905 1.00 0.00 C ATOM 146 C GLU A 11 -3.723 -12.479 -1.959 1.00 0.00 C ATOM 147 O GLU A 11 -3.328 -13.039 -2.978 1.00 0.00 O ATOM 148 CB GLU A 11 -5.880 -13.731 -1.460 1.00 0.00 C ATOM 149 CG GLU A 11 -6.668 -14.689 -0.545 1.00 0.00 C ATOM 150 CD GLU A 11 -6.088 -16.103 -0.506 1.00 0.00 C ATOM 151 OE1 GLU A 11 -5.119 -16.365 0.242 1.00 0.00 O ATOM 152 OE2 GLU A 11 -6.619 -16.997 -1.210 1.00 0.00 O ATOM 0 H GLU A 11 -5.701 -12.480 0.594 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.887 -14.162 -0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.485 -12.842 -1.640 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.728 -14.214 -2.425 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.685 -14.283 0.466 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.702 -14.737 -0.886 1.00 0.00 H new ATOM 159 N GLY A 12 -3.448 -11.183 -1.737 1.00 0.00 N ATOM 160 CA GLY A 12 -2.535 -10.359 -2.553 1.00 0.00 C ATOM 161 C GLY A 12 -1.118 -10.158 -1.989 1.00 0.00 C ATOM 162 O GLY A 12 -0.328 -9.429 -2.583 1.00 0.00 O ATOM 0 H GLY A 12 -3.865 -10.664 -0.964 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.450 -10.815 -3.539 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.991 -9.379 -2.693 1.00 0.00 H new ATOM 166 N MET A 13 -0.772 -10.755 -0.845 1.00 0.00 N ATOM 167 CA MET A 13 0.538 -10.598 -0.192 1.00 0.00 C ATOM 168 C MET A 13 1.541 -11.660 -0.661 1.00 0.00 C ATOM 169 O MET A 13 1.332 -12.847 -0.416 1.00 0.00 O ATOM 170 CB MET A 13 0.353 -10.638 1.321 1.00 0.00 C ATOM 171 CG MET A 13 1.656 -10.300 2.053 1.00 0.00 C ATOM 172 SD MET A 13 1.453 -10.080 3.832 1.00 0.00 S ATOM 173 CE MET A 13 0.729 -11.690 4.198 1.00 0.00 C ATOM 0 H MET A 13 -1.403 -11.373 -0.335 1.00 0.00 H new ATOM 0 HA MET A 13 0.956 -9.632 -0.476 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.424 -9.931 1.613 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.012 -11.629 1.621 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.379 -11.096 1.875 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.075 -9.387 1.629 1.00 0.00 H new ATOM 0 HE1 MET A 13 1.015 -11.997 5.204 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.357 -11.624 4.134 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.091 -12.424 3.478 1.00 0.00 H new ATOM 183 N THR A 14 2.646 -11.233 -1.289 1.00 0.00 N ATOM 184 CA THR A 14 3.714 -12.111 -1.811 1.00 0.00 C ATOM 185 C THR A 14 5.058 -11.393 -2.018 1.00 0.00 C ATOM 186 O THR A 14 6.099 -12.051 -2.038 1.00 0.00 O ATOM 187 CB THR A 14 3.207 -12.869 -3.047 1.00 0.00 C ATOM 188 OG1 THR A 14 4.046 -13.961 -3.347 1.00 0.00 O ATOM 189 CG2 THR A 14 3.122 -11.952 -4.248 1.00 0.00 C ATOM 0 H THR A 14 2.830 -10.244 -1.454 1.00 0.00 H new ATOM 0 HA THR A 14 3.947 -12.852 -1.046 1.00 0.00 H new ATOM 0 HB THR A 14 2.209 -13.242 -2.815 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.703 -14.430 -4.136 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.760 -12.513 -5.110 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.434 -11.134 -4.033 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.110 -11.547 -4.467 1.00 0.00 H new ATOM 197 N CYS A 15 5.068 -10.062 -2.153 1.00 0.00 N ATOM 198 CA CYS A 15 6.270 -9.249 -2.324 1.00 0.00 C ATOM 199 C CYS A 15 6.947 -8.843 -0.980 1.00 0.00 C ATOM 200 O CYS A 15 6.283 -8.503 0.005 1.00 0.00 O ATOM 201 CB CYS A 15 5.832 -8.058 -3.183 1.00 0.00 C ATOM 202 SG CYS A 15 7.256 -7.010 -3.559 1.00 0.00 S ATOM 0 H CYS A 15 4.212 -9.507 -2.146 1.00 0.00 H new ATOM 0 HA CYS A 15 7.062 -9.814 -2.816 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.378 -8.414 -4.108 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.073 -7.479 -2.657 1.00 0.00 H new ATOM 207 N ASN A 16 8.283 -8.867 -0.948 1.00 0.00 N ATOM 208 CA ASN A 16 9.115 -8.687 0.247 1.00 0.00 C ATOM 209 C ASN A 16 8.958 -7.310 0.927 1.00 0.00 C ATOM 210 O ASN A 16 8.869 -7.251 2.157 1.00 0.00 O ATOM 211 CB ASN A 16 10.577 -8.954 -0.148 1.00 0.00 C ATOM 212 CG ASN A 16 11.559 -8.628 0.972 1.00 0.00 C ATOM 213 OD1 ASN A 16 11.746 -9.405 1.900 1.00 0.00 O ATOM 214 ND2 ASN A 16 12.178 -7.464 0.932 1.00 0.00 N ATOM 0 H ASN A 16 8.838 -9.019 -1.790 1.00 0.00 H new ATOM 0 HA ASN A 16 8.778 -9.399 1.001 1.00 0.00 H new ATOM 0 HB2 ASN A 16 10.688 -10.001 -0.429 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.826 -8.360 -1.028 1.00 0.00 H new ATOM 0 HD21 ASN A 16 12.821 -7.202 1.679 1.00 0.00 H new ATOM 0 HD22 ASN A 16 12.014 -6.826 0.154 1.00 0.00 H new ATOM 221 N SER A 17 8.899 -6.212 0.170 1.00 0.00 N ATOM 222 CA SER A 17 8.690 -4.879 0.759 1.00 0.00 C ATOM 223 C SER A 17 7.215 -4.649 1.111 1.00 0.00 C ATOM 224 O SER A 17 6.907 -3.927 2.055 1.00 0.00 O ATOM 225 CB SER A 17 9.199 -3.747 -0.144 1.00 0.00 C ATOM 226 OG SER A 17 8.300 -3.446 -1.199 1.00 0.00 O ATOM 0 H SER A 17 8.992 -6.214 -0.846 1.00 0.00 H new ATOM 0 HA SER A 17 9.280 -4.857 1.676 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.361 -2.852 0.457 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.165 -4.028 -0.564 1.00 0.00 H new ATOM 0 HG SER A 17 8.019 -4.277 -1.636 1.00 0.00 H new ATOM 232 N CYS A 18 6.281 -5.265 0.384 1.00 0.00 N ATOM 233 CA CYS A 18 4.858 -5.181 0.644 1.00 0.00 C ATOM 234 C CYS A 18 4.486 -5.948 1.947 1.00 0.00 C ATOM 235 O CYS A 18 3.722 -5.445 2.769 1.00 0.00 O ATOM 236 CB CYS A 18 4.192 -5.675 -0.649 1.00 0.00 C ATOM 237 SG CYS A 18 4.873 -4.844 -2.129 1.00 0.00 S ATOM 0 H CYS A 18 6.508 -5.849 -0.421 1.00 0.00 H new ATOM 0 HA CYS A 18 4.500 -4.174 0.857 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.332 -6.752 -0.741 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.118 -5.497 -0.595 1.00 0.00 H new ATOM 0 HG CYS A 18 5.849 -5.553 -2.614 1.00 0.00 H new ATOM 242 N VAL A 19 5.128 -7.094 2.190 1.00 0.00 N ATOM 243 CA VAL A 19 5.142 -7.808 3.485 1.00 0.00 C ATOM 244 C VAL A 19 5.642 -6.880 4.616 1.00 0.00 C ATOM 245 O VAL A 19 4.943 -6.694 5.613 1.00 0.00 O ATOM 246 CB VAL A 19 5.986 -9.107 3.364 1.00 0.00 C ATOM 247 CG1 VAL A 19 6.378 -9.757 4.699 1.00 0.00 C ATOM 248 CG2 VAL A 19 5.231 -10.176 2.550 1.00 0.00 C ATOM 0 H VAL A 19 5.672 -7.572 1.472 1.00 0.00 H new ATOM 0 HA VAL A 19 4.126 -8.101 3.748 1.00 0.00 H new ATOM 0 HB VAL A 19 6.901 -8.777 2.871 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.964 -10.656 4.508 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.971 -9.055 5.285 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.477 -10.022 5.253 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.841 -11.077 2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.290 -10.414 3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.028 -9.795 1.549 1.00 0.00 H new ATOM 258 N TRP A 20 6.792 -6.210 4.434 1.00 0.00 N ATOM 259 CA TRP A 20 7.312 -5.183 5.359 1.00 0.00 C ATOM 260 C TRP A 20 6.363 -3.985 5.536 1.00 0.00 C ATOM 261 O TRP A 20 6.294 -3.412 6.626 1.00 0.00 O ATOM 262 CB TRP A 20 8.692 -4.732 4.844 1.00 0.00 C ATOM 263 CG TRP A 20 9.285 -3.485 5.437 1.00 0.00 C ATOM 264 CD1 TRP A 20 10.208 -3.460 6.423 1.00 0.00 C ATOM 265 CD2 TRP A 20 9.057 -2.079 5.078 1.00 0.00 C ATOM 266 NE1 TRP A 20 10.576 -2.156 6.684 1.00 0.00 N ATOM 267 CE2 TRP A 20 9.894 -1.262 5.893 1.00 0.00 C ATOM 268 CE3 TRP A 20 8.229 -1.401 4.152 1.00 0.00 C ATOM 269 CZ2 TRP A 20 9.907 0.140 5.804 1.00 0.00 C ATOM 270 CZ3 TRP A 20 8.209 0.006 4.071 1.00 0.00 C ATOM 271 CH2 TRP A 20 9.048 0.778 4.894 1.00 0.00 C ATOM 0 H TRP A 20 7.398 -6.367 3.628 1.00 0.00 H new ATOM 0 HA TRP A 20 7.398 -5.624 6.352 1.00 0.00 H new ATOM 0 HB2 TRP A 20 9.395 -5.549 5.009 1.00 0.00 H new ATOM 0 HB3 TRP A 20 8.617 -4.588 3.766 1.00 0.00 H new ATOM 0 HD1 TRP A 20 10.599 -4.329 6.930 1.00 0.00 H new ATOM 0 HE1 TRP A 20 11.271 -1.887 7.381 1.00 0.00 H new ATOM 0 HE3 TRP A 20 7.597 -1.976 3.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 10.570 0.721 6.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 7.545 0.494 3.373 1.00 0.00 H new ATOM 0 HH2 TRP A 20 9.032 1.856 4.827 1.00 0.00 H new ATOM 282 N THR A 21 5.595 -3.630 4.497 1.00 0.00 N ATOM 283 CA THR A 21 4.654 -2.499 4.510 1.00 0.00 C ATOM 284 C THR A 21 3.543 -2.736 5.525 1.00 0.00 C ATOM 285 O THR A 21 3.217 -1.809 6.258 1.00 0.00 O ATOM 286 CB THR A 21 4.091 -2.211 3.113 1.00 0.00 C ATOM 287 OG1 THR A 21 5.157 -1.952 2.222 1.00 0.00 O ATOM 288 CG2 THR A 21 3.185 -0.985 3.125 1.00 0.00 C ATOM 0 H THR A 21 5.610 -4.129 3.608 1.00 0.00 H new ATOM 0 HA THR A 21 5.205 -1.610 4.816 1.00 0.00 H new ATOM 0 HB THR A 21 3.517 -3.082 2.799 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.714 -2.754 2.136 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.801 -0.806 2.121 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.352 -1.155 3.807 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.753 -0.116 3.456 1.00 0.00 H new ATOM 296 N ILE A 22 3.033 -3.970 5.654 1.00 0.00 N ATOM 297 CA ILE A 22 2.034 -4.329 6.685 1.00 0.00 C ATOM 298 C ILE A 22 2.509 -3.904 8.080 1.00 0.00 C ATOM 299 O ILE A 22 1.789 -3.205 8.786 1.00 0.00 O ATOM 300 CB ILE A 22 1.702 -5.844 6.683 1.00 0.00 C ATOM 301 CG1 ILE A 22 1.338 -6.427 5.297 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.576 -6.120 7.701 1.00 0.00 C ATOM 303 CD1 ILE A 22 0.031 -5.907 4.685 1.00 0.00 C ATOM 0 H ILE A 22 3.297 -4.749 5.051 1.00 0.00 H new ATOM 0 HA ILE A 22 1.122 -3.788 6.435 1.00 0.00 H new ATOM 0 HB ILE A 22 2.619 -6.358 6.970 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.153 -6.212 4.606 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.272 -7.511 5.384 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.340 -7.184 7.703 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.904 -5.820 8.696 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.312 -5.552 7.424 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.130 -6.379 3.715 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.801 -6.146 5.347 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.094 -4.826 4.557 1.00 0.00 H new ATOM 315 N GLU A 23 3.735 -4.280 8.452 1.00 0.00 N ATOM 316 CA GLU A 23 4.339 -3.952 9.747 1.00 0.00 C ATOM 317 C GLU A 23 4.368 -2.438 10.002 1.00 0.00 C ATOM 318 O GLU A 23 4.117 -1.995 11.126 1.00 0.00 O ATOM 319 CB GLU A 23 5.758 -4.543 9.777 1.00 0.00 C ATOM 320 CG GLU A 23 6.483 -4.369 11.116 1.00 0.00 C ATOM 321 CD GLU A 23 7.894 -4.954 11.069 1.00 0.00 C ATOM 322 OE1 GLU A 23 8.705 -4.530 10.216 1.00 0.00 O ATOM 323 OE2 GLU A 23 8.210 -5.826 11.914 1.00 0.00 O ATOM 0 H GLU A 23 4.348 -4.831 7.851 1.00 0.00 H new ATOM 0 HA GLU A 23 3.734 -4.384 10.544 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.702 -5.606 9.543 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.351 -4.074 8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.535 -3.310 11.368 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.912 -4.856 11.906 1.00 0.00 H new ATOM 330 N GLN A 24 4.657 -1.643 8.968 1.00 0.00 N ATOM 331 CA GLN A 24 4.676 -0.180 9.078 1.00 0.00 C ATOM 332 C GLN A 24 3.269 0.424 9.195 1.00 0.00 C ATOM 333 O GLN A 24 3.052 1.298 10.038 1.00 0.00 O ATOM 334 CB GLN A 24 5.421 0.473 7.900 1.00 0.00 C ATOM 335 CG GLN A 24 6.783 -0.120 7.505 1.00 0.00 C ATOM 336 CD GLN A 24 7.630 -0.622 8.671 1.00 0.00 C ATOM 337 OE1 GLN A 24 8.005 0.127 9.570 1.00 0.00 O ATOM 338 NE2 GLN A 24 7.939 -1.901 8.719 1.00 0.00 N ATOM 0 H GLN A 24 4.883 -1.991 8.036 1.00 0.00 H new ATOM 0 HA GLN A 24 5.214 0.037 10.001 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.770 0.432 7.026 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.569 1.526 8.138 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.616 -0.947 6.814 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.349 0.638 6.964 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.631 -2.528 7.976 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.486 -2.264 9.499 1.00 0.00 H new ATOM 347 N GLN A 25 2.331 -0.028 8.352 1.00 0.00 N ATOM 348 CA GLN A 25 0.970 0.512 8.262 1.00 0.00 C ATOM 349 C GLN A 25 0.156 0.201 9.520 1.00 0.00 C ATOM 350 O GLN A 25 -0.619 1.036 9.989 1.00 0.00 O ATOM 351 CB GLN A 25 0.252 -0.088 7.030 1.00 0.00 C ATOM 352 CG GLN A 25 -0.776 0.868 6.409 1.00 0.00 C ATOM 353 CD GLN A 25 -0.155 2.006 5.592 1.00 0.00 C ATOM 354 OE1 GLN A 25 0.999 2.387 5.754 1.00 0.00 O ATOM 355 NE2 GLN A 25 -0.904 2.584 4.684 1.00 0.00 N ATOM 0 H GLN A 25 2.502 -0.795 7.701 1.00 0.00 H new ATOM 0 HA GLN A 25 1.047 1.595 8.164 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.994 -0.353 6.277 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.249 -1.011 7.322 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.446 0.297 5.766 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.386 1.296 7.205 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.865 2.273 4.543 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.525 3.344 4.119 1.00 0.00 H new ATOM 364 N ILE A 26 0.330 -1.013 10.054 1.00 0.00 N ATOM 365 CA ILE A 26 -0.296 -1.485 11.290 1.00 0.00 C ATOM 366 C ILE A 26 0.316 -0.795 12.513 1.00 0.00 C ATOM 367 O ILE A 26 -0.431 -0.238 13.319 1.00 0.00 O ATOM 368 CB ILE A 26 -0.195 -3.027 11.331 1.00 0.00 C ATOM 369 CG1 ILE A 26 -1.037 -3.711 10.223 1.00 0.00 C ATOM 370 CG2 ILE A 26 -0.569 -3.588 12.707 1.00 0.00 C ATOM 371 CD1 ILE A 26 -2.537 -3.395 10.230 1.00 0.00 C ATOM 0 H ILE A 26 0.930 -1.715 9.622 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.353 -1.219 11.313 1.00 0.00 H new ATOM 0 HB ILE A 26 0.852 -3.261 11.138 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.629 -3.423 9.254 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.912 -4.790 10.313 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.485 -4.675 12.692 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.105 -3.182 13.461 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.594 -3.307 12.948 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.025 -3.927 9.413 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.971 -3.711 11.179 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.683 -2.322 10.103 1.00 0.00 H new ATOM 383 N GLY A 27 1.650 -0.762 12.627 1.00 0.00 N ATOM 384 CA GLY A 27 2.373 -0.072 13.711 1.00 0.00 C ATOM 385 C GLY A 27 1.915 1.371 13.965 1.00 0.00 C ATOM 386 O GLY A 27 1.862 1.800 15.118 1.00 0.00 O ATOM 0 H GLY A 27 2.270 -1.220 11.959 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.255 -0.644 14.631 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.437 -0.066 13.474 1.00 0.00 H new ATOM 390 N LYS A 28 1.490 2.087 12.916 1.00 0.00 N ATOM 391 CA LYS A 28 0.912 3.440 12.999 1.00 0.00 C ATOM 392 C LYS A 28 -0.415 3.503 13.788 1.00 0.00 C ATOM 393 O LYS A 28 -0.704 4.513 14.434 1.00 0.00 O ATOM 394 CB LYS A 28 0.725 3.947 11.559 1.00 0.00 C ATOM 395 CG LYS A 28 0.446 5.461 11.481 1.00 0.00 C ATOM 396 CD LYS A 28 0.122 5.941 10.057 1.00 0.00 C ATOM 397 CE LYS A 28 1.210 5.511 9.070 1.00 0.00 C ATOM 398 NZ LYS A 28 1.032 6.099 7.724 1.00 0.00 N ATOM 0 H LYS A 28 1.539 1.735 11.960 1.00 0.00 H new ATOM 0 HA LYS A 28 1.596 4.077 13.560 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.620 3.719 10.981 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.100 3.407 11.095 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.388 5.705 12.139 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.315 6.004 11.852 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.839 5.535 9.743 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.027 7.027 10.049 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.185 5.802 9.462 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.211 4.424 8.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.797 5.773 7.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.115 5.801 7.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.059 7.136 7.792 1.00 0.00 H new ATOM 412 N VAL A 29 -1.205 2.423 13.767 1.00 0.00 N ATOM 413 CA VAL A 29 -2.521 2.343 14.432 1.00 0.00 C ATOM 414 C VAL A 29 -2.374 2.288 15.960 1.00 0.00 C ATOM 415 O VAL A 29 -3.301 2.657 16.677 1.00 0.00 O ATOM 416 CB VAL A 29 -3.363 1.147 13.919 1.00 0.00 C ATOM 417 CG1 VAL A 29 -4.807 1.202 14.447 1.00 0.00 C ATOM 418 CG2 VAL A 29 -3.441 1.094 12.382 1.00 0.00 C ATOM 0 H VAL A 29 -0.948 1.564 13.281 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.058 3.255 14.173 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.851 0.260 14.291 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.366 0.348 14.066 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.797 1.173 15.537 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.282 2.125 14.113 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.042 0.237 12.078 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.899 2.010 12.009 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.437 0.997 11.970 1.00 0.00 H new ATOM 428 N ASN A 30 -1.214 1.829 16.456 1.00 0.00 N ATOM 429 CA ASN A 30 -0.784 1.797 17.864 1.00 0.00 C ATOM 430 C ASN A 30 -1.522 0.761 18.736 1.00 0.00 C ATOM 431 O ASN A 30 -0.939 0.241 19.687 1.00 0.00 O ATOM 432 CB ASN A 30 -0.835 3.209 18.477 1.00 0.00 C ATOM 433 CG ASN A 30 -0.326 3.217 19.912 1.00 0.00 C ATOM 434 OD1 ASN A 30 -1.087 3.371 20.857 1.00 0.00 O ATOM 435 ND2 ASN A 30 0.956 2.989 20.109 1.00 0.00 N ATOM 0 H ASN A 30 -0.500 1.442 15.839 1.00 0.00 H new ATOM 0 HA ASN A 30 0.250 1.454 17.855 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.234 3.890 17.874 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.860 3.580 18.452 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.325 2.939 21.059 1.00 0.00 H new ATOM 0 HD22 ASN A 30 1.580 2.862 19.312 1.00 0.00 H new ATOM 442 N GLY A 31 -2.765 0.408 18.384 1.00 0.00 N ATOM 443 CA GLY A 31 -3.561 -0.606 19.083 1.00 0.00 C ATOM 444 C GLY A 31 -2.918 -1.990 19.018 1.00 0.00 C ATOM 445 O GLY A 31 -2.942 -2.716 20.007 1.00 0.00 O ATOM 0 H GLY A 31 -3.253 0.827 17.592 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.685 -0.313 20.126 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.558 -0.649 18.644 1.00 0.00 H new ATOM 449 N VAL A 32 -2.311 -2.332 17.882 1.00 0.00 N ATOM 450 CA VAL A 32 -1.455 -3.518 17.691 1.00 0.00 C ATOM 451 C VAL A 32 -0.573 -3.872 18.907 1.00 0.00 C ATOM 452 O VAL A 32 0.271 -3.098 19.354 1.00 0.00 O ATOM 453 CB VAL A 32 -0.600 -3.398 16.407 1.00 0.00 C ATOM 454 CG1 VAL A 32 0.277 -2.134 16.341 1.00 0.00 C ATOM 455 CG2 VAL A 32 0.265 -4.655 16.188 1.00 0.00 C ATOM 0 H VAL A 32 -2.401 -1.774 17.033 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.149 -4.351 17.579 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.325 -3.308 15.598 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.842 -2.131 15.409 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.357 -1.249 16.384 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.968 -2.126 17.184 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.853 -4.538 15.278 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.934 -4.789 17.038 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.380 -5.529 16.093 1.00 0.00 H new ATOM 465 N HIS A 33 -0.753 -5.097 19.400 1.00 0.00 N ATOM 466 CA HIS A 33 0.091 -5.757 20.398 1.00 0.00 C ATOM 467 C HIS A 33 1.196 -6.595 19.716 1.00 0.00 C ATOM 468 O HIS A 33 2.339 -6.603 20.175 1.00 0.00 O ATOM 469 CB HIS A 33 -0.837 -6.631 21.261 1.00 0.00 C ATOM 470 CG HIS A 33 -0.157 -7.621 22.178 1.00 0.00 C ATOM 471 ND1 HIS A 33 0.023 -7.494 23.536 1.00 0.00 N ATOM 472 CD2 HIS A 33 0.311 -8.861 21.831 1.00 0.00 C ATOM 473 CE1 HIS A 33 0.586 -8.627 23.992 1.00 0.00 C ATOM 474 NE2 HIS A 33 0.800 -9.492 22.979 1.00 0.00 N ATOM 0 H HIS A 33 -1.530 -5.686 19.100 1.00 0.00 H new ATOM 0 HA HIS A 33 0.606 -5.026 21.022 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.460 -5.974 21.868 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.505 -7.181 20.598 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.303 -9.281 20.836 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.833 -8.818 25.026 1.00 0.00 H new ATOM 0 HE2 HIS A 33 1.230 -10.415 23.038 1.00 0.00 H new ATOM 482 N HIS A 34 0.881 -7.287 18.616 1.00 0.00 N ATOM 483 CA HIS A 34 1.829 -8.073 17.811 1.00 0.00 C ATOM 484 C HIS A 34 1.298 -8.235 16.374 1.00 0.00 C ATOM 485 O HIS A 34 0.127 -8.577 16.203 1.00 0.00 O ATOM 486 CB HIS A 34 2.032 -9.445 18.479 1.00 0.00 C ATOM 487 CG HIS A 34 2.830 -10.441 17.669 1.00 0.00 C ATOM 488 ND1 HIS A 34 2.309 -11.404 16.837 1.00 0.00 N ATOM 489 CD2 HIS A 34 4.187 -10.632 17.702 1.00 0.00 C ATOM 490 CE1 HIS A 34 3.318 -12.173 16.404 1.00 0.00 C ATOM 491 NE2 HIS A 34 4.496 -11.736 16.892 1.00 0.00 N ATOM 0 H HIS A 34 -0.070 -7.318 18.248 1.00 0.00 H new ATOM 0 HA HIS A 34 2.787 -7.556 17.757 1.00 0.00 H new ATOM 0 HB2 HIS A 34 2.532 -9.295 19.436 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.054 -9.875 18.694 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.897 -10.035 18.256 1.00 0.00 H new ATOM 0 HE1 HIS A 34 3.203 -13.027 15.753 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.421 -12.127 16.710 1.00 0.00 H new ATOM 499 N ILE A 35 2.144 -8.028 15.357 1.00 0.00 N ATOM 500 CA ILE A 35 1.838 -8.255 13.928 1.00 0.00 C ATOM 501 C ILE A 35 2.712 -9.386 13.370 1.00 0.00 C ATOM 502 O ILE A 35 3.933 -9.388 13.546 1.00 0.00 O ATOM 503 CB ILE A 35 1.952 -6.932 13.102 1.00 0.00 C ATOM 504 CG1 ILE A 35 1.603 -7.120 11.603 1.00 0.00 C ATOM 505 CG2 ILE A 35 3.282 -6.179 13.294 1.00 0.00 C ATOM 506 CD1 ILE A 35 2.742 -7.524 10.649 1.00 0.00 C ATOM 0 H ILE A 35 3.094 -7.686 15.505 1.00 0.00 H new ATOM 0 HA ILE A 35 0.800 -8.576 13.837 1.00 0.00 H new ATOM 0 HB ILE A 35 1.186 -6.284 13.527 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.822 -7.877 11.533 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.175 -6.186 11.238 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.279 -5.274 12.686 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.400 -5.911 14.344 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.110 -6.819 12.988 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.352 -7.619 9.636 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.520 -6.761 10.668 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.162 -8.478 10.967 1.00 0.00 H new ATOM 518 N LYS A 36 2.103 -10.337 12.656 1.00 0.00 N ATOM 519 CA LYS A 36 2.806 -11.400 11.911 1.00 0.00 C ATOM 520 C LYS A 36 2.266 -11.550 10.479 1.00 0.00 C ATOM 521 O LYS A 36 1.062 -11.461 10.253 1.00 0.00 O ATOM 522 CB LYS A 36 2.688 -12.725 12.687 1.00 0.00 C ATOM 523 CG LYS A 36 3.418 -13.894 12.000 1.00 0.00 C ATOM 524 CD LYS A 36 3.439 -15.187 12.823 1.00 0.00 C ATOM 525 CE LYS A 36 2.034 -15.708 13.145 1.00 0.00 C ATOM 526 NZ LYS A 36 2.089 -17.058 13.748 1.00 0.00 N ATOM 0 H LYS A 36 1.088 -10.396 12.574 1.00 0.00 H new ATOM 0 HA LYS A 36 3.857 -11.124 11.821 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.094 -12.590 13.689 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.634 -12.979 12.802 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.940 -14.094 11.041 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.444 -13.594 11.788 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.989 -15.952 12.275 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.979 -15.011 13.754 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.537 -15.021 13.830 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.437 -15.738 12.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.124 -17.385 13.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.543 -17.717 13.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.639 -17.022 14.630 1.00 0.00 H new ATOM 540 N VAL A 37 3.142 -11.829 9.514 1.00 0.00 N ATOM 541 CA VAL A 37 2.782 -12.058 8.106 1.00 0.00 C ATOM 542 C VAL A 37 3.610 -13.204 7.519 1.00 0.00 C ATOM 543 O VAL A 37 4.823 -13.278 7.710 1.00 0.00 O ATOM 544 CB VAL A 37 2.900 -10.762 7.265 1.00 0.00 C ATOM 545 CG1 VAL A 37 1.656 -9.888 7.471 1.00 0.00 C ATOM 546 CG2 VAL A 37 4.140 -9.909 7.585 1.00 0.00 C ATOM 0 H VAL A 37 4.144 -11.905 9.688 1.00 0.00 H new ATOM 0 HA VAL A 37 1.734 -12.354 8.069 1.00 0.00 H new ATOM 0 HB VAL A 37 2.995 -11.098 6.232 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.747 -8.979 6.876 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.769 -10.439 7.158 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.567 -9.624 8.525 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.145 -9.022 6.952 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.114 -9.607 8.632 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.041 -10.493 7.398 1.00 0.00 H new ATOM 556 N SER A 38 2.931 -14.138 6.850 1.00 0.00 N ATOM 557 CA SER A 38 3.508 -15.413 6.388 1.00 0.00 C ATOM 558 C SER A 38 3.579 -15.451 4.847 1.00 0.00 C ATOM 559 O SER A 38 2.598 -15.804 4.188 1.00 0.00 O ATOM 560 CB SER A 38 2.662 -16.579 6.933 1.00 0.00 C ATOM 561 OG SER A 38 2.544 -16.551 8.351 1.00 0.00 O ATOM 0 H SER A 38 1.946 -14.032 6.607 1.00 0.00 H new ATOM 0 HA SER A 38 4.526 -15.508 6.765 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.668 -16.541 6.488 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.112 -17.524 6.628 1.00 0.00 H new ATOM 0 HG SER A 38 1.998 -17.308 8.649 1.00 0.00 H new ATOM 567 N LEU A 39 4.717 -15.057 4.255 1.00 0.00 N ATOM 568 CA LEU A 39 4.830 -14.678 2.836 1.00 0.00 C ATOM 569 C LEU A 39 4.443 -15.780 1.841 1.00 0.00 C ATOM 570 O LEU A 39 3.868 -15.471 0.800 1.00 0.00 O ATOM 571 CB LEU A 39 6.241 -14.104 2.562 1.00 0.00 C ATOM 572 CG LEU A 39 7.397 -15.130 2.431 1.00 0.00 C ATOM 573 CD1 LEU A 39 7.610 -15.583 0.974 1.00 0.00 C ATOM 574 CD2 LEU A 39 8.719 -14.521 2.916 1.00 0.00 C ATOM 0 H LEU A 39 5.602 -14.991 4.758 1.00 0.00 H new ATOM 0 HA LEU A 39 4.084 -13.904 2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.198 -13.520 1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.489 -13.413 3.367 1.00 0.00 H new ATOM 0 HG LEU A 39 7.112 -15.986 3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.429 -16.301 0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.699 -16.051 0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.853 -14.719 0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.517 -15.257 2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.957 -13.643 2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.623 -14.230 3.962 1.00 0.00 H new ATOM 586 N GLU A 40 4.741 -17.047 2.140 1.00 0.00 N ATOM 587 CA GLU A 40 4.448 -18.182 1.252 1.00 0.00 C ATOM 588 C GLU A 40 3.049 -18.769 1.490 1.00 0.00 C ATOM 589 O GLU A 40 2.542 -19.519 0.657 1.00 0.00 O ATOM 590 CB GLU A 40 5.535 -19.270 1.364 1.00 0.00 C ATOM 591 CG GLU A 40 5.624 -20.001 2.713 1.00 0.00 C ATOM 592 CD GLU A 40 6.311 -19.157 3.779 1.00 0.00 C ATOM 593 OE1 GLU A 40 7.551 -19.247 3.889 1.00 0.00 O ATOM 594 OE2 GLU A 40 5.616 -18.400 4.501 1.00 0.00 O ATOM 0 H GLU A 40 5.196 -17.319 3.011 1.00 0.00 H new ATOM 0 HA GLU A 40 4.456 -17.795 0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.361 -20.011 0.583 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.502 -18.811 1.158 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.621 -20.263 3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.171 -20.935 2.583 1.00 0.00 H new ATOM 601 N GLU A 41 2.416 -18.430 2.612 1.00 0.00 N ATOM 602 CA GLU A 41 1.057 -18.839 2.967 1.00 0.00 C ATOM 603 C GLU A 41 0.009 -17.765 2.636 1.00 0.00 C ATOM 604 O GLU A 41 -1.183 -18.068 2.549 1.00 0.00 O ATOM 605 CB GLU A 41 1.017 -19.096 4.473 1.00 0.00 C ATOM 606 CG GLU A 41 1.863 -20.298 4.899 1.00 0.00 C ATOM 607 CD GLU A 41 1.835 -20.505 6.410 1.00 0.00 C ATOM 608 OE1 GLU A 41 0.746 -20.505 7.034 1.00 0.00 O ATOM 609 OE2 GLU A 41 2.924 -20.665 7.004 1.00 0.00 O ATOM 0 H GLU A 41 2.850 -17.843 3.324 1.00 0.00 H new ATOM 0 HA GLU A 41 0.814 -19.730 2.387 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.369 -18.207 4.997 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.016 -19.259 4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.495 -21.196 4.403 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.892 -20.152 4.571 1.00 0.00 H new ATOM 616 N LYS A 42 0.438 -16.506 2.492 1.00 0.00 N ATOM 617 CA LYS A 42 -0.348 -15.316 2.153 1.00 0.00 C ATOM 618 C LYS A 42 -1.294 -14.862 3.291 1.00 0.00 C ATOM 619 O LYS A 42 -2.023 -13.882 3.153 1.00 0.00 O ATOM 620 CB LYS A 42 -1.045 -15.500 0.788 1.00 0.00 C ATOM 621 CG LYS A 42 -0.091 -16.047 -0.295 1.00 0.00 C ATOM 622 CD LYS A 42 -0.634 -15.942 -1.724 1.00 0.00 C ATOM 623 CE LYS A 42 -0.619 -14.486 -2.197 1.00 0.00 C ATOM 624 NZ LYS A 42 -0.919 -14.377 -3.638 1.00 0.00 N ATOM 0 H LYS A 42 1.423 -16.275 2.620 1.00 0.00 H new ATOM 0 HA LYS A 42 0.343 -14.480 2.045 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.888 -16.182 0.903 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.452 -14.543 0.460 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.854 -15.507 -0.237 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.126 -17.093 -0.077 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.031 -16.555 -2.394 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.651 -16.333 -1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.350 -13.911 -1.629 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.358 -14.048 -1.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.164 -13.840 -4.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.979 -15.329 -4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.826 -13.885 -3.768 1.00 0.00 H new ATOM 638 N ASN A 43 -1.287 -15.524 4.452 1.00 0.00 N ATOM 639 CA ASN A 43 -2.044 -15.085 5.620 1.00 0.00 C ATOM 640 C ASN A 43 -1.258 -14.077 6.471 1.00 0.00 C ATOM 641 O ASN A 43 -0.026 -14.063 6.518 1.00 0.00 O ATOM 642 CB ASN A 43 -2.568 -16.275 6.436 1.00 0.00 C ATOM 643 CG ASN A 43 -1.498 -16.908 7.309 1.00 0.00 C ATOM 644 OD1 ASN A 43 -1.149 -16.393 8.363 1.00 0.00 O ATOM 645 ND2 ASN A 43 -0.941 -18.024 6.894 1.00 0.00 N ATOM 0 H ASN A 43 -0.754 -16.380 4.605 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.922 -14.551 5.256 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.394 -15.943 7.065 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.968 -17.028 5.756 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.211 -18.468 7.452 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.238 -18.446 6.014 1.00 0.00 H new ATOM 652 N ALA A 44 -2.034 -13.250 7.152 1.00 0.00 N ATOM 653 CA ALA A 44 -1.647 -12.174 8.043 1.00 0.00 C ATOM 654 C ALA A 44 -2.348 -12.394 9.399 1.00 0.00 C ATOM 655 O ALA A 44 -3.574 -12.537 9.438 1.00 0.00 O ATOM 656 CB ALA A 44 -2.102 -10.876 7.347 1.00 0.00 C ATOM 0 H ALA A 44 -3.049 -13.325 7.087 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.576 -12.129 8.240 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.840 -10.019 7.968 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.606 -10.789 6.380 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.182 -10.901 7.200 1.00 0.00 H new ATOM 662 N THR A 45 -1.591 -12.442 10.499 1.00 0.00 N ATOM 663 CA THR A 45 -2.103 -12.655 11.867 1.00 0.00 C ATOM 664 C THR A 45 -1.779 -11.429 12.706 1.00 0.00 C ATOM 665 O THR A 45 -0.712 -10.837 12.560 1.00 0.00 O ATOM 666 CB THR A 45 -1.490 -13.907 12.515 1.00 0.00 C ATOM 667 OG1 THR A 45 -1.512 -14.992 11.617 1.00 0.00 O ATOM 668 CG2 THR A 45 -2.273 -14.345 13.755 1.00 0.00 C ATOM 0 H THR A 45 -0.577 -12.331 10.468 1.00 0.00 H new ATOM 0 HA THR A 45 -3.181 -12.808 11.815 1.00 0.00 H new ATOM 0 HB THR A 45 -0.469 -13.640 12.789 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.116 -15.780 12.046 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.808 -15.233 14.184 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.268 -13.541 14.491 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.301 -14.573 13.474 1.00 0.00 H new ATOM 676 N ILE A 46 -2.671 -11.040 13.612 1.00 0.00 N ATOM 677 CA ILE A 46 -2.431 -9.904 14.510 1.00 0.00 C ATOM 678 C ILE A 46 -3.156 -10.080 15.849 1.00 0.00 C ATOM 679 O ILE A 46 -4.255 -10.647 15.922 1.00 0.00 O ATOM 680 CB ILE A 46 -2.760 -8.572 13.780 1.00 0.00 C ATOM 681 CG1 ILE A 46 -2.179 -7.338 14.508 1.00 0.00 C ATOM 682 CG2 ILE A 46 -4.270 -8.423 13.523 1.00 0.00 C ATOM 683 CD1 ILE A 46 -2.676 -5.979 14.015 1.00 0.00 C ATOM 0 H ILE A 46 -3.574 -11.495 13.748 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.373 -9.864 14.769 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.266 -8.620 12.809 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.409 -7.424 15.570 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.093 -7.362 14.414 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.461 -7.480 13.011 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.617 -9.249 12.902 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.804 -8.434 14.473 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.204 -5.186 14.595 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.421 -5.859 12.962 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.758 -5.922 14.136 1.00 0.00 H new ATOM 695 N ILE A 47 -2.523 -9.574 16.905 1.00 0.00 N ATOM 696 CA ILE A 47 -3.193 -9.215 18.163 1.00 0.00 C ATOM 697 C ILE A 47 -3.346 -7.693 18.219 1.00 0.00 C ATOM 698 O ILE A 47 -2.347 -6.978 18.126 1.00 0.00 O ATOM 699 CB ILE A 47 -2.427 -9.736 19.396 1.00 0.00 C ATOM 700 CG1 ILE A 47 -2.175 -11.255 19.298 1.00 0.00 C ATOM 701 CG2 ILE A 47 -3.222 -9.394 20.667 1.00 0.00 C ATOM 702 CD1 ILE A 47 -1.687 -11.934 20.587 1.00 0.00 C ATOM 0 H ILE A 47 -1.518 -9.398 16.916 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.174 -9.689 18.186 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.452 -9.250 19.438 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.099 -11.738 18.982 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.439 -11.433 18.514 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.685 -9.760 21.542 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.342 -8.313 20.741 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.203 -9.866 20.620 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.542 -12.999 20.405 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.743 -11.487 20.898 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.429 -11.798 21.373 1.00 0.00 H new ATOM 714 N TYR A 48 -4.574 -7.207 18.406 1.00 0.00 N ATOM 715 CA TYR A 48 -4.935 -5.786 18.426 1.00 0.00 C ATOM 716 C TYR A 48 -5.690 -5.370 19.709 1.00 0.00 C ATOM 717 O TYR A 48 -6.429 -6.162 20.296 1.00 0.00 O ATOM 718 CB TYR A 48 -5.757 -5.463 17.164 1.00 0.00 C ATOM 719 CG TYR A 48 -7.179 -6.009 17.138 1.00 0.00 C ATOM 720 CD1 TYR A 48 -7.448 -7.320 16.690 1.00 0.00 C ATOM 721 CD2 TYR A 48 -8.244 -5.189 17.553 1.00 0.00 C ATOM 722 CE1 TYR A 48 -8.770 -7.819 16.670 1.00 0.00 C ATOM 723 CE2 TYR A 48 -9.562 -5.678 17.544 1.00 0.00 C ATOM 724 CZ TYR A 48 -9.833 -6.992 17.108 1.00 0.00 C ATOM 725 OH TYR A 48 -11.124 -7.429 17.125 1.00 0.00 O ATOM 0 H TYR A 48 -5.378 -7.817 18.554 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.014 -5.204 18.429 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.802 -4.380 17.051 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.223 -5.852 16.297 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.635 -7.949 16.359 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -8.048 -4.179 17.880 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.968 -8.823 16.324 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.372 -5.044 17.873 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.707 -6.715 17.459 1.00 0.00 H new ATOM 735 N ASP A 49 -5.527 -4.108 20.120 1.00 0.00 N ATOM 736 CA ASP A 49 -6.328 -3.449 21.159 1.00 0.00 C ATOM 737 C ASP A 49 -7.653 -2.915 20.567 1.00 0.00 C ATOM 738 O ASP A 49 -7.619 -2.183 19.567 1.00 0.00 O ATOM 739 CB ASP A 49 -5.515 -2.301 21.769 1.00 0.00 C ATOM 740 CG ASP A 49 -6.220 -1.605 22.932 1.00 0.00 C ATOM 741 OD1 ASP A 49 -7.108 -0.759 22.676 1.00 0.00 O ATOM 742 OD2 ASP A 49 -5.812 -1.847 24.091 1.00 0.00 O ATOM 0 H ASP A 49 -4.811 -3.497 19.727 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.574 -4.173 21.936 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.557 -2.689 22.115 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.300 -1.566 20.993 1.00 0.00 H new ATOM 747 N PRO A 50 -8.814 -3.254 21.161 1.00 0.00 N ATOM 748 CA PRO A 50 -10.121 -3.023 20.554 1.00 0.00 C ATOM 749 C PRO A 50 -10.580 -1.560 20.594 1.00 0.00 C ATOM 750 O PRO A 50 -11.475 -1.198 19.829 1.00 0.00 O ATOM 751 CB PRO A 50 -11.085 -3.944 21.312 1.00 0.00 C ATOM 752 CG PRO A 50 -10.445 -4.072 22.692 1.00 0.00 C ATOM 753 CD PRO A 50 -8.957 -4.058 22.363 1.00 0.00 C ATOM 0 HA PRO A 50 -10.084 -3.245 19.488 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -12.086 -3.516 21.372 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -11.182 -4.913 20.823 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -10.724 -3.247 23.348 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.742 -4.993 23.194 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -8.381 -3.634 23.185 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.585 -5.070 22.201 1.00 0.00 H new ATOM 761 N LYS A 51 -9.984 -0.698 21.428 1.00 0.00 N ATOM 762 CA LYS A 51 -10.325 0.732 21.428 1.00 0.00 C ATOM 763 C LYS A 51 -9.801 1.417 20.152 1.00 0.00 C ATOM 764 O LYS A 51 -10.547 2.099 19.441 1.00 0.00 O ATOM 765 CB LYS A 51 -9.789 1.412 22.704 1.00 0.00 C ATOM 766 CG LYS A 51 -10.317 0.764 23.998 1.00 0.00 C ATOM 767 CD LYS A 51 -10.081 1.621 25.251 1.00 0.00 C ATOM 768 CE LYS A 51 -8.599 1.883 25.542 1.00 0.00 C ATOM 769 NZ LYS A 51 -8.404 2.698 26.768 1.00 0.00 N ATOM 0 H LYS A 51 -9.269 -0.962 22.106 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.410 0.835 21.429 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.700 1.370 22.701 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.067 2.466 22.692 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.385 0.576 23.892 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.835 -0.204 24.133 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.594 2.575 25.131 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.530 1.124 26.111 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.079 0.932 25.653 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.148 2.395 24.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.387 2.850 26.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.878 3.617 26.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.810 2.199 27.585 1.00 0.00 H new ATOM 783 N LEU A 52 -8.522 1.196 19.830 1.00 0.00 N ATOM 784 CA LEU A 52 -7.796 1.880 18.749 1.00 0.00 C ATOM 785 C LEU A 52 -7.978 1.251 17.356 1.00 0.00 C ATOM 786 O LEU A 52 -7.628 1.899 16.368 1.00 0.00 O ATOM 787 CB LEU A 52 -6.299 1.932 19.135 1.00 0.00 C ATOM 788 CG LEU A 52 -5.872 3.210 19.887 1.00 0.00 C ATOM 789 CD1 LEU A 52 -6.690 3.489 21.154 1.00 0.00 C ATOM 790 CD2 LEU A 52 -4.392 3.093 20.269 1.00 0.00 C ATOM 0 H LEU A 52 -7.945 0.517 20.327 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.220 2.880 18.654 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.067 1.067 19.756 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.701 1.843 18.228 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.051 4.044 19.208 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.330 4.403 21.626 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.741 3.607 20.890 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.581 2.656 21.848 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.081 3.992 20.801 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.250 2.224 20.911 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.791 2.980 19.367 1.00 0.00 H new ATOM 802 N GLN A 53 -8.475 0.015 17.244 1.00 0.00 N ATOM 803 CA GLN A 53 -8.302 -0.796 16.033 1.00 0.00 C ATOM 804 C GLN A 53 -9.413 -1.848 15.872 1.00 0.00 C ATOM 805 O GLN A 53 -9.928 -2.360 16.868 1.00 0.00 O ATOM 806 CB GLN A 53 -6.901 -1.429 16.146 1.00 0.00 C ATOM 807 CG GLN A 53 -6.384 -2.135 14.884 1.00 0.00 C ATOM 808 CD GLN A 53 -4.857 -2.299 14.877 1.00 0.00 C ATOM 809 OE1 GLN A 53 -4.127 -1.935 15.792 1.00 0.00 O ATOM 810 NE2 GLN A 53 -4.298 -2.833 13.816 1.00 0.00 N ATOM 0 H GLN A 53 -9.004 -0.449 17.983 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.380 -0.183 15.135 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.191 -0.648 16.420 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.913 -2.150 16.964 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.851 -3.117 14.806 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.688 -1.567 14.005 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.878 -3.146 13.037 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.284 -2.935 13.770 1.00 0.00 H new ATOM 819 N THR A 54 -9.770 -2.186 14.622 1.00 0.00 N ATOM 820 CA THR A 54 -10.725 -3.257 14.262 1.00 0.00 C ATOM 821 C THR A 54 -10.145 -4.159 13.162 1.00 0.00 C ATOM 822 O THR A 54 -9.183 -3.760 12.498 1.00 0.00 O ATOM 823 CB THR A 54 -12.064 -2.679 13.764 1.00 0.00 C ATOM 824 OG1 THR A 54 -11.836 -1.789 12.699 1.00 0.00 O ATOM 825 CG2 THR A 54 -12.864 -1.975 14.858 1.00 0.00 C ATOM 0 H THR A 54 -9.391 -1.708 13.804 1.00 0.00 H new ATOM 0 HA THR A 54 -10.900 -3.839 15.167 1.00 0.00 H new ATOM 0 HB THR A 54 -12.662 -3.527 13.431 1.00 0.00 H new ATOM 0 HG1 THR A 54 -12.691 -1.427 12.387 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.795 -1.592 14.439 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.089 -2.682 15.656 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.280 -1.148 15.261 1.00 0.00 H new ATOM 833 N PRO A 55 -10.733 -5.346 12.903 1.00 0.00 N ATOM 834 CA PRO A 55 -10.469 -6.126 11.695 1.00 0.00 C ATOM 835 C PRO A 55 -10.727 -5.326 10.413 1.00 0.00 C ATOM 836 O PRO A 55 -9.971 -5.458 9.454 1.00 0.00 O ATOM 837 CB PRO A 55 -11.380 -7.355 11.776 1.00 0.00 C ATOM 838 CG PRO A 55 -11.627 -7.504 13.274 1.00 0.00 C ATOM 839 CD PRO A 55 -11.662 -6.061 13.765 1.00 0.00 C ATOM 0 HA PRO A 55 -9.417 -6.408 11.647 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.310 -7.205 11.227 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.902 -8.240 11.356 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.564 -8.022 13.478 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.835 -8.075 13.758 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.667 -5.644 13.694 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.362 -5.993 14.811 1.00 0.00 H new ATOM 847 N LYS A 56 -11.730 -4.440 10.394 1.00 0.00 N ATOM 848 CA LYS A 56 -11.936 -3.543 9.253 1.00 0.00 C ATOM 849 C LYS A 56 -10.743 -2.593 9.041 1.00 0.00 C ATOM 850 O LYS A 56 -10.315 -2.433 7.896 1.00 0.00 O ATOM 851 CB LYS A 56 -13.283 -2.816 9.381 1.00 0.00 C ATOM 852 CG LYS A 56 -13.632 -2.057 8.091 1.00 0.00 C ATOM 853 CD LYS A 56 -15.136 -1.769 8.011 1.00 0.00 C ATOM 854 CE LYS A 56 -15.508 -1.099 6.682 1.00 0.00 C ATOM 855 NZ LYS A 56 -15.201 0.349 6.683 1.00 0.00 N ATOM 0 H LYS A 56 -12.406 -4.326 11.149 1.00 0.00 H new ATOM 0 HA LYS A 56 -11.984 -4.143 8.344 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.069 -3.538 9.605 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.244 -2.118 10.217 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.077 -1.120 8.055 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.324 -2.644 7.225 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -15.692 -2.700 8.119 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -15.429 -1.124 8.840 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.967 -1.583 5.869 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -16.571 -1.244 6.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -15.729 0.816 5.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -15.477 0.762 7.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.181 0.488 6.534 1.00 0.00 H new ATOM 869 N THR A 57 -10.113 -2.069 10.107 1.00 0.00 N ATOM 870 CA THR A 57 -8.841 -1.318 10.009 1.00 0.00 C ATOM 871 C THR A 57 -7.756 -2.151 9.325 1.00 0.00 C ATOM 872 O THR A 57 -7.051 -1.622 8.470 1.00 0.00 O ATOM 873 CB THR A 57 -8.355 -0.837 11.384 1.00 0.00 C ATOM 874 OG1 THR A 57 -9.404 -0.225 12.092 1.00 0.00 O ATOM 875 CG2 THR A 57 -7.223 0.184 11.285 1.00 0.00 C ATOM 0 H THR A 57 -10.467 -2.152 11.060 1.00 0.00 H new ATOM 0 HA THR A 57 -9.039 -0.438 9.397 1.00 0.00 H new ATOM 0 HB THR A 57 -7.993 -1.727 11.898 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.122 -0.876 12.241 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.919 0.489 12.286 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.374 -0.263 10.769 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.567 1.056 10.729 1.00 0.00 H new ATOM 883 N LEU A 58 -7.661 -3.456 9.627 1.00 0.00 N ATOM 884 CA LEU A 58 -6.716 -4.369 8.963 1.00 0.00 C ATOM 885 C LEU A 58 -7.005 -4.493 7.460 1.00 0.00 C ATOM 886 O LEU A 58 -6.086 -4.393 6.654 1.00 0.00 O ATOM 887 CB LEU A 58 -6.744 -5.776 9.602 1.00 0.00 C ATOM 888 CG LEU A 58 -6.559 -5.884 11.125 1.00 0.00 C ATOM 889 CD1 LEU A 58 -6.693 -7.345 11.551 1.00 0.00 C ATOM 890 CD2 LEU A 58 -5.243 -5.258 11.583 1.00 0.00 C ATOM 0 H LEU A 58 -8.237 -3.908 10.338 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.725 -3.936 9.097 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.698 -6.238 9.348 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.965 -6.373 9.128 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.344 -5.312 11.619 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.562 -7.423 12.630 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.681 -7.714 11.278 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.931 -7.942 11.049 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.151 -5.355 12.665 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.410 -5.769 11.100 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.228 -4.203 11.311 1.00 0.00 H new ATOM 902 N GLN A 59 -8.271 -4.695 7.081 1.00 0.00 N ATOM 903 CA GLN A 59 -8.691 -4.823 5.680 1.00 0.00 C ATOM 904 C GLN A 59 -8.411 -3.535 4.877 1.00 0.00 C ATOM 905 O GLN A 59 -8.000 -3.605 3.720 1.00 0.00 O ATOM 906 CB GLN A 59 -10.196 -5.141 5.624 1.00 0.00 C ATOM 907 CG GLN A 59 -10.558 -6.542 6.143 1.00 0.00 C ATOM 908 CD GLN A 59 -12.061 -6.789 6.042 1.00 0.00 C ATOM 909 OE1 GLN A 59 -12.851 -6.360 6.876 1.00 0.00 O ATOM 910 NE2 GLN A 59 -12.504 -7.443 4.994 1.00 0.00 N ATOM 0 H GLN A 59 -9.042 -4.775 7.744 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.114 -5.631 5.231 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.736 -4.397 6.209 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -10.539 -5.046 4.594 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.022 -7.297 5.568 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.238 -6.644 7.180 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.847 -7.800 4.300 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -13.505 -7.594 4.873 1.00 0.00 H new ATOM 919 N GLU A 60 -8.623 -2.360 5.477 1.00 0.00 N ATOM 920 CA GLU A 60 -8.404 -1.045 4.851 1.00 0.00 C ATOM 921 C GLU A 60 -6.922 -0.700 4.669 1.00 0.00 C ATOM 922 O GLU A 60 -6.559 -0.008 3.719 1.00 0.00 O ATOM 923 CB GLU A 60 -9.078 0.036 5.700 1.00 0.00 C ATOM 924 CG GLU A 60 -10.600 -0.113 5.630 1.00 0.00 C ATOM 925 CD GLU A 60 -11.342 0.821 6.584 1.00 0.00 C ATOM 926 OE1 GLU A 60 -10.766 1.258 7.606 1.00 0.00 O ATOM 927 OE2 GLU A 60 -12.524 1.158 6.336 1.00 0.00 O ATOM 0 H GLU A 60 -8.961 -2.291 6.437 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.842 -1.089 3.854 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.744 -0.043 6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.785 1.024 5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.931 0.083 4.610 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.868 -1.144 5.860 1.00 0.00 H new ATOM 934 N ALA A 61 -6.056 -1.220 5.538 1.00 0.00 N ATOM 935 CA ALA A 61 -4.599 -1.142 5.337 1.00 0.00 C ATOM 936 C ALA A 61 -4.132 -1.933 4.095 1.00 0.00 C ATOM 937 O ALA A 61 -3.082 -1.629 3.534 1.00 0.00 O ATOM 938 CB ALA A 61 -3.863 -1.589 6.611 1.00 0.00 C ATOM 0 H ALA A 61 -6.334 -1.703 6.393 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.345 -0.100 5.141 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.787 -1.527 6.450 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.144 -0.940 7.440 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.136 -2.618 6.847 1.00 0.00 H new ATOM 944 N ILE A 62 -4.900 -2.932 3.639 1.00 0.00 N ATOM 945 CA ILE A 62 -4.708 -3.577 2.325 1.00 0.00 C ATOM 946 C ILE A 62 -5.171 -2.663 1.176 1.00 0.00 C ATOM 947 O ILE A 62 -4.547 -2.621 0.114 1.00 0.00 O ATOM 948 CB ILE A 62 -5.410 -4.960 2.277 1.00 0.00 C ATOM 949 CG1 ILE A 62 -5.258 -5.815 3.559 1.00 0.00 C ATOM 950 CG2 ILE A 62 -4.919 -5.774 1.072 1.00 0.00 C ATOM 951 CD1 ILE A 62 -3.827 -5.976 4.093 1.00 0.00 C ATOM 0 H ILE A 62 -5.678 -3.321 4.172 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.640 -3.746 2.189 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.471 -4.727 2.187 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.870 -5.370 4.344 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.665 -6.807 3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.423 -6.740 1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.142 -5.233 0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.843 -5.927 1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.841 -6.593 4.992 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.207 -6.454 3.335 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.415 -4.995 4.332 1.00 0.00 H new ATOM 963 N ASP A 63 -6.258 -1.914 1.380 1.00 0.00 N ATOM 964 CA ASP A 63 -6.833 -0.963 0.418 1.00 0.00 C ATOM 965 C ASP A 63 -5.976 0.307 0.220 1.00 0.00 C ATOM 966 O ASP A 63 -6.082 0.968 -0.811 1.00 0.00 O ATOM 967 CB ASP A 63 -8.266 -0.625 0.857 1.00 0.00 C ATOM 968 CG ASP A 63 -8.997 0.272 -0.142 1.00 0.00 C ATOM 969 OD1 ASP A 63 -9.620 -0.256 -1.095 1.00 0.00 O ATOM 970 OD2 ASP A 63 -9.006 1.508 0.058 1.00 0.00 O ATOM 0 H ASP A 63 -6.784 -1.953 2.253 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.849 -1.440 -0.562 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.829 -1.549 0.987 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.236 -0.131 1.828 1.00 0.00 H new ATOM 975 N ASP A 64 -5.090 0.643 1.164 1.00 0.00 N ATOM 976 CA ASP A 64 -4.011 1.635 0.980 1.00 0.00 C ATOM 977 C ASP A 64 -3.014 1.229 -0.139 1.00 0.00 C ATOM 978 O ASP A 64 -2.282 2.083 -0.642 1.00 0.00 O ATOM 979 CB ASP A 64 -3.254 1.826 2.312 1.00 0.00 C ATOM 980 CG ASP A 64 -3.812 2.888 3.277 1.00 0.00 C ATOM 981 OD1 ASP A 64 -4.148 4.021 2.857 1.00 0.00 O ATOM 982 OD2 ASP A 64 -3.800 2.620 4.505 1.00 0.00 O ATOM 0 H ASP A 64 -5.098 0.229 2.096 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.476 2.571 0.672 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.235 0.869 2.833 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.220 2.084 2.082 1.00 0.00 H new ATOM 987 N MET A 65 -2.987 -0.053 -0.538 1.00 0.00 N ATOM 988 CA MET A 65 -2.115 -0.627 -1.581 1.00 0.00 C ATOM 989 C MET A 65 -2.934 -1.166 -2.780 1.00 0.00 C ATOM 990 O MET A 65 -3.962 -0.582 -3.131 1.00 0.00 O ATOM 991 CB MET A 65 -1.220 -1.701 -0.934 1.00 0.00 C ATOM 992 CG MET A 65 -0.313 -1.149 0.172 1.00 0.00 C ATOM 993 SD MET A 65 0.775 -2.402 0.892 1.00 0.00 S ATOM 994 CE MET A 65 -0.399 -3.204 2.008 1.00 0.00 C ATOM 0 H MET A 65 -3.602 -0.753 -0.123 1.00 0.00 H new ATOM 0 HA MET A 65 -1.476 0.151 -1.999 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.850 -2.487 -0.519 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.602 -2.162 -1.705 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.294 -0.340 -0.235 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.932 -0.718 0.959 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.078 -3.059 3.039 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.388 -2.767 1.871 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.440 -4.271 1.787 1.00 0.00 H new ATOM 1004 N GLY A 66 -2.524 -2.271 -3.428 1.00 0.00 N ATOM 1005 CA GLY A 66 -3.238 -2.902 -4.559 1.00 0.00 C ATOM 1006 C GLY A 66 -3.368 -4.421 -4.433 1.00 0.00 C ATOM 1007 O GLY A 66 -2.940 -5.158 -5.325 1.00 0.00 O ATOM 0 H GLY A 66 -1.667 -2.764 -3.176 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.234 -2.466 -4.637 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.714 -2.667 -5.485 1.00 0.00 H new ATOM 1011 N PHE A 67 -3.973 -4.879 -3.337 1.00 0.00 N ATOM 1012 CA PHE A 67 -3.983 -6.280 -2.905 1.00 0.00 C ATOM 1013 C PHE A 67 -5.375 -6.708 -2.398 1.00 0.00 C ATOM 1014 O PHE A 67 -6.265 -5.883 -2.189 1.00 0.00 O ATOM 1015 CB PHE A 67 -2.876 -6.462 -1.844 1.00 0.00 C ATOM 1016 CG PHE A 67 -1.466 -6.095 -2.290 1.00 0.00 C ATOM 1017 CD1 PHE A 67 -0.924 -6.625 -3.478 1.00 0.00 C ATOM 1018 CD2 PHE A 67 -0.689 -5.209 -1.518 1.00 0.00 C ATOM 1019 CE1 PHE A 67 0.362 -6.250 -3.907 1.00 0.00 C ATOM 1020 CE2 PHE A 67 0.601 -4.843 -1.941 1.00 0.00 C ATOM 1021 CZ PHE A 67 1.124 -5.355 -3.140 1.00 0.00 C ATOM 0 H PHE A 67 -4.487 -4.266 -2.704 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.773 -6.936 -3.750 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.130 -5.858 -0.973 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.876 -7.503 -1.521 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -1.501 -7.325 -4.064 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.086 -4.809 -0.597 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.763 -6.651 -4.826 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.192 -4.166 -1.342 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.109 -5.061 -3.471 1.00 0.00 H new ATOM 1031 N ASP A 68 -5.571 -8.013 -2.204 1.00 0.00 N ATOM 1032 CA ASP A 68 -6.864 -8.654 -1.933 1.00 0.00 C ATOM 1033 C ASP A 68 -6.790 -9.432 -0.612 1.00 0.00 C ATOM 1034 O ASP A 68 -5.713 -9.903 -0.241 1.00 0.00 O ATOM 1035 CB ASP A 68 -7.187 -9.580 -3.121 1.00 0.00 C ATOM 1036 CG ASP A 68 -8.602 -10.167 -3.110 1.00 0.00 C ATOM 1037 OD1 ASP A 68 -9.555 -9.466 -2.689 1.00 0.00 O ATOM 1038 OD2 ASP A 68 -8.770 -11.316 -3.585 1.00 0.00 O ATOM 0 H ASP A 68 -4.802 -8.683 -2.232 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.657 -7.914 -1.828 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.047 -9.022 -4.047 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.469 -10.400 -3.131 1.00 0.00 H new ATOM 1043 N ALA A 69 -7.912 -9.565 0.104 1.00 0.00 N ATOM 1044 CA ALA A 69 -7.933 -10.127 1.457 1.00 0.00 C ATOM 1045 C ALA A 69 -9.290 -10.729 1.860 1.00 0.00 C ATOM 1046 O ALA A 69 -10.332 -10.349 1.325 1.00 0.00 O ATOM 1047 CB ALA A 69 -7.484 -9.042 2.446 1.00 0.00 C ATOM 0 H ALA A 69 -8.831 -9.286 -0.239 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.240 -10.968 1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.495 -9.446 3.458 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.474 -8.717 2.196 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.164 -8.192 2.387 1.00 0.00 H new ATOM 1053 N VAL A 70 -9.271 -11.665 2.815 1.00 0.00 N ATOM 1054 CA VAL A 70 -10.445 -12.377 3.345 1.00 0.00 C ATOM 1055 C VAL A 70 -10.210 -12.726 4.817 1.00 0.00 C ATOM 1056 O VAL A 70 -9.170 -13.280 5.164 1.00 0.00 O ATOM 1057 CB VAL A 70 -10.732 -13.682 2.543 1.00 0.00 C ATOM 1058 CG1 VAL A 70 -12.025 -14.366 3.015 1.00 0.00 C ATOM 1059 CG2 VAL A 70 -10.835 -13.477 1.019 1.00 0.00 C ATOM 0 H VAL A 70 -8.402 -11.961 3.260 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.310 -11.721 3.247 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.865 -14.311 2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -12.191 -15.272 2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.936 -14.625 4.070 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.867 -13.687 2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.036 -14.433 0.536 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.646 -12.782 0.799 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.896 -13.070 0.642 1.00 0.00 H new ATOM 1069 N ILE A 71 -11.160 -12.408 5.701 1.00 0.00 N ATOM 1070 CA ILE A 71 -11.070 -12.748 7.135 1.00 0.00 C ATOM 1071 C ILE A 71 -11.189 -14.269 7.336 1.00 0.00 C ATOM 1072 O ILE A 71 -12.035 -14.910 6.708 1.00 0.00 O ATOM 1073 CB ILE A 71 -12.105 -11.939 7.961 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -11.725 -10.439 7.926 1.00 0.00 C ATOM 1075 CG2 ILE A 71 -12.182 -12.453 9.415 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -12.741 -9.492 8.572 1.00 0.00 C ATOM 0 H ILE A 71 -12.013 -11.909 5.450 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.088 -12.459 7.511 1.00 0.00 H new ATOM 0 HB ILE A 71 -13.092 -12.071 7.518 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.765 -10.312 8.427 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.584 -10.141 6.887 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.915 -11.867 9.970 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -12.480 -13.501 9.415 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -11.205 -12.354 9.888 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.382 -8.466 8.495 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.699 -9.581 8.059 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.867 -9.755 9.622 1.00 0.00 H new ATOM 1088 N HIS A 72 -10.351 -14.848 8.203 1.00 0.00 N ATOM 1089 CA HIS A 72 -10.236 -16.296 8.407 1.00 0.00 C ATOM 1090 C HIS A 72 -10.036 -16.653 9.906 1.00 0.00 C ATOM 1091 O HIS A 72 -10.624 -15.984 10.765 1.00 0.00 O ATOM 1092 CB HIS A 72 -9.136 -16.811 7.456 1.00 0.00 C ATOM 1093 CG HIS A 72 -9.267 -18.272 7.109 1.00 0.00 C ATOM 1094 ND1 HIS A 72 -8.317 -19.247 7.298 1.00 0.00 N ATOM 1095 CD2 HIS A 72 -10.343 -18.872 6.514 1.00 0.00 C ATOM 1096 CE1 HIS A 72 -8.812 -20.410 6.844 1.00 0.00 C ATOM 1097 NE2 HIS A 72 -10.054 -20.234 6.358 1.00 0.00 N ATOM 0 H HIS A 72 -9.719 -14.310 8.796 1.00 0.00 H new ATOM 0 HA HIS A 72 -11.163 -16.810 8.153 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -9.160 -16.225 6.537 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.162 -16.642 7.916 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.257 -18.381 6.216 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -8.287 -21.354 6.866 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.662 -20.948 5.957 1.00 0.00 H new ATOM 1105 N ASN A 73 -9.259 -17.697 10.243 1.00 0.00 N ATOM 1106 CA ASN A 73 -9.123 -18.244 11.609 1.00 0.00 C ATOM 1107 C ASN A 73 -7.687 -18.660 11.954 1.00 0.00 C ATOM 1108 O ASN A 73 -7.156 -19.595 11.312 1.00 0.00 O ATOM 1109 CB ASN A 73 -10.124 -19.416 11.765 1.00 0.00 C ATOM 1110 CG ASN A 73 -10.281 -19.881 13.203 1.00 0.00 C ATOM 1111 OD1 ASN A 73 -11.141 -19.406 13.930 1.00 0.00 O ATOM 1112 ND2 ASN A 73 -9.462 -20.790 13.676 1.00 0.00 N ATOM 1113 OXT ASN A 73 -7.086 -18.063 12.876 1.00 0.00 O ATOM 0 H ASN A 73 -8.693 -18.198 9.558 1.00 0.00 H new ATOM 0 HA ASN A 73 -9.360 -17.457 12.325 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.097 -19.108 11.381 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.791 -20.254 11.153 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -9.545 -21.096 14.645 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.742 -21.190 13.074 1.00 0.00 H new ATOM 1121 N MET B 74 -2.834 17.597 -20.831 1.00 0.00 N ATOM 1122 CA MET B 74 -1.776 18.595 -21.104 1.00 0.00 C ATOM 1123 C MET B 74 -0.550 18.406 -20.205 1.00 0.00 C ATOM 1124 O MET B 74 0.414 17.849 -20.732 1.00 0.00 O ATOM 1125 CB MET B 74 -2.319 20.037 -21.237 1.00 0.00 C ATOM 1126 CG MET B 74 -1.296 21.046 -21.782 1.00 0.00 C ATOM 1127 SD MET B 74 0.053 21.555 -20.680 1.00 0.00 S ATOM 1128 CE MET B 74 1.073 22.486 -21.854 1.00 0.00 C ATOM 0 HA MET B 74 -1.388 18.399 -22.104 1.00 0.00 H new ATOM 0 HB2 MET B 74 -3.189 20.027 -21.894 1.00 0.00 H new ATOM 0 HB3 MET B 74 -2.662 20.376 -20.260 1.00 0.00 H new ATOM 0 HG2 MET B 74 -0.852 20.621 -22.682 1.00 0.00 H new ATOM 0 HG3 MET B 74 -1.837 21.942 -22.086 1.00 0.00 H new ATOM 0 HE1 MET B 74 1.954 22.875 -21.342 1.00 0.00 H new ATOM 0 HE2 MET B 74 1.385 21.829 -22.666 1.00 0.00 H new ATOM 0 HE3 MET B 74 0.494 23.315 -22.261 1.00 0.00 H new ATOM 1140 N PRO B 75 -0.501 18.851 -18.927 1.00 0.00 N ATOM 1141 CA PRO B 75 0.738 18.822 -18.152 1.00 0.00 C ATOM 1142 C PRO B 75 1.131 17.396 -17.773 1.00 0.00 C ATOM 1143 O PRO B 75 0.313 16.616 -17.287 1.00 0.00 O ATOM 1144 CB PRO B 75 0.493 19.686 -16.911 1.00 0.00 C ATOM 1145 CG PRO B 75 -1.014 19.562 -16.712 1.00 0.00 C ATOM 1146 CD PRO B 75 -1.529 19.538 -18.149 1.00 0.00 C ATOM 0 HA PRO B 75 1.571 19.211 -18.738 1.00 0.00 H new ATOM 0 HB2 PRO B 75 1.047 19.321 -16.047 1.00 0.00 H new ATOM 0 HB3 PRO B 75 0.797 20.720 -17.071 1.00 0.00 H new ATOM 0 HG2 PRO B 75 -1.280 18.655 -16.169 1.00 0.00 H new ATOM 0 HG3 PRO B 75 -1.421 20.401 -16.148 1.00 0.00 H new ATOM 0 HD2 PRO B 75 -2.483 19.016 -18.214 1.00 0.00 H new ATOM 0 HD3 PRO B 75 -1.693 20.549 -18.523 1.00 0.00 H new ATOM 1154 N LYS B 76 2.412 17.083 -17.972 1.00 0.00 N ATOM 1155 CA LYS B 76 3.024 15.818 -17.565 1.00 0.00 C ATOM 1156 C LYS B 76 3.924 15.990 -16.334 1.00 0.00 C ATOM 1157 O LYS B 76 4.541 17.039 -16.128 1.00 0.00 O ATOM 1158 CB LYS B 76 3.823 15.233 -18.738 1.00 0.00 C ATOM 1159 CG LYS B 76 2.924 14.765 -19.890 1.00 0.00 C ATOM 1160 CD LYS B 76 3.593 13.651 -20.704 1.00 0.00 C ATOM 1161 CE LYS B 76 3.622 12.328 -19.918 1.00 0.00 C ATOM 1162 NZ LYS B 76 4.869 11.573 -20.167 1.00 0.00 N ATOM 0 H LYS B 76 3.067 17.716 -18.431 1.00 0.00 H new ATOM 0 HA LYS B 76 2.227 15.129 -17.287 1.00 0.00 H new ATOM 0 HB2 LYS B 76 4.520 15.985 -19.108 1.00 0.00 H new ATOM 0 HB3 LYS B 76 4.419 14.392 -18.383 1.00 0.00 H new ATOM 0 HG2 LYS B 76 1.975 14.406 -19.491 1.00 0.00 H new ATOM 0 HG3 LYS B 76 2.697 15.608 -20.542 1.00 0.00 H new ATOM 0 HD2 LYS B 76 3.055 13.509 -21.641 1.00 0.00 H new ATOM 0 HD3 LYS B 76 4.610 13.946 -20.962 1.00 0.00 H new ATOM 0 HE2 LYS B 76 3.529 12.536 -18.852 1.00 0.00 H new ATOM 0 HE3 LYS B 76 2.764 11.718 -20.200 1.00 0.00 H new ATOM 0 HZ1 LYS B 76 4.771 10.608 -19.791 1.00 0.00 H new ATOM 0 HZ2 LYS B 76 5.050 11.530 -21.190 1.00 0.00 H new ATOM 0 HZ3 LYS B 76 5.664 12.050 -19.695 1.00 0.00 H new ATOM 1176 N HIS B 77 4.062 14.940 -15.533 1.00 0.00 N ATOM 1177 CA HIS B 77 4.780 14.968 -14.255 1.00 0.00 C ATOM 1178 C HIS B 77 5.349 13.575 -13.904 1.00 0.00 C ATOM 1179 O HIS B 77 4.872 12.565 -14.432 1.00 0.00 O ATOM 1180 CB HIS B 77 3.888 15.605 -13.156 1.00 0.00 C ATOM 1181 CG HIS B 77 2.381 15.675 -13.394 1.00 0.00 C ATOM 1182 ND1 HIS B 77 1.577 16.793 -13.312 1.00 0.00 N ATOM 1183 CD2 HIS B 77 1.554 14.644 -13.755 1.00 0.00 C ATOM 1184 CE1 HIS B 77 0.321 16.439 -13.632 1.00 0.00 C ATOM 1185 NE2 HIS B 77 0.245 15.124 -13.904 1.00 0.00 N ATOM 0 H HIS B 77 3.671 14.024 -15.754 1.00 0.00 H new ATOM 0 HA HIS B 77 5.657 15.611 -14.335 1.00 0.00 H new ATOM 0 HB2 HIS B 77 4.053 15.051 -12.232 1.00 0.00 H new ATOM 0 HB3 HIS B 77 4.245 16.621 -12.986 1.00 0.00 H new ATOM 0 HD1 HIS B 77 1.884 17.730 -13.052 1.00 0.00 H new ATOM 0 HD2 HIS B 77 1.863 13.620 -13.902 1.00 0.00 H new ATOM 0 HE1 HIS B 77 -0.516 17.120 -13.666 1.00 0.00 H new ATOM 1193 N GLU B 78 6.406 13.510 -13.083 1.00 0.00 N ATOM 1194 CA GLU B 78 7.152 12.272 -12.805 1.00 0.00 C ATOM 1195 C GLU B 78 7.385 12.058 -11.299 1.00 0.00 C ATOM 1196 O GLU B 78 7.566 13.006 -10.532 1.00 0.00 O ATOM 1197 CB GLU B 78 8.505 12.270 -13.542 1.00 0.00 C ATOM 1198 CG GLU B 78 8.399 12.296 -15.078 1.00 0.00 C ATOM 1199 CD GLU B 78 9.772 12.201 -15.754 1.00 0.00 C ATOM 1200 OE1 GLU B 78 10.724 12.906 -15.337 1.00 0.00 O ATOM 1201 OE2 GLU B 78 9.941 11.434 -16.731 1.00 0.00 O ATOM 0 H GLU B 78 6.772 14.323 -12.587 1.00 0.00 H new ATOM 0 HA GLU B 78 6.538 11.449 -13.171 1.00 0.00 H new ATOM 0 HB2 GLU B 78 9.082 13.135 -13.216 1.00 0.00 H new ATOM 0 HB3 GLU B 78 9.064 11.383 -13.245 1.00 0.00 H new ATOM 0 HG2 GLU B 78 7.773 11.468 -15.412 1.00 0.00 H new ATOM 0 HG3 GLU B 78 7.904 13.215 -15.391 1.00 0.00 H new ATOM 1208 N PHE B 79 7.387 10.787 -10.884 1.00 0.00 N ATOM 1209 CA PHE B 79 7.467 10.322 -9.494 1.00 0.00 C ATOM 1210 C PHE B 79 8.256 9.002 -9.418 1.00 0.00 C ATOM 1211 O PHE B 79 8.373 8.285 -10.416 1.00 0.00 O ATOM 1212 CB PHE B 79 6.041 10.104 -8.941 1.00 0.00 C ATOM 1213 CG PHE B 79 5.118 11.311 -8.993 1.00 0.00 C ATOM 1214 CD1 PHE B 79 4.398 11.602 -10.170 1.00 0.00 C ATOM 1215 CD2 PHE B 79 4.972 12.143 -7.866 1.00 0.00 C ATOM 1216 CE1 PHE B 79 3.576 12.740 -10.235 1.00 0.00 C ATOM 1217 CE2 PHE B 79 4.132 13.270 -7.928 1.00 0.00 C ATOM 1218 CZ PHE B 79 3.449 13.577 -9.115 1.00 0.00 C ATOM 0 H PHE B 79 7.330 10.012 -11.545 1.00 0.00 H new ATOM 0 HA PHE B 79 7.981 11.076 -8.897 1.00 0.00 H new ATOM 0 HB2 PHE B 79 5.576 9.291 -9.499 1.00 0.00 H new ATOM 0 HB3 PHE B 79 6.120 9.776 -7.905 1.00 0.00 H new ATOM 0 HD1 PHE B 79 4.479 10.947 -11.025 1.00 0.00 H new ATOM 0 HD2 PHE B 79 5.505 11.916 -6.954 1.00 0.00 H new ATOM 0 HE1 PHE B 79 3.043 12.970 -11.145 1.00 0.00 H new ATOM 0 HE2 PHE B 79 4.012 13.901 -7.060 1.00 0.00 H new ATOM 0 HZ PHE B 79 2.826 14.457 -9.167 1.00 0.00 H new ATOM 1228 N SER B 80 8.749 8.620 -8.238 1.00 0.00 N ATOM 1229 CA SER B 80 9.461 7.348 -8.048 1.00 0.00 C ATOM 1230 C SER B 80 9.320 6.736 -6.644 1.00 0.00 C ATOM 1231 O SER B 80 9.096 7.430 -5.650 1.00 0.00 O ATOM 1232 CB SER B 80 10.941 7.508 -8.418 1.00 0.00 C ATOM 1233 OG SER B 80 11.521 6.229 -8.568 1.00 0.00 O ATOM 0 H SER B 80 8.668 9.179 -7.389 1.00 0.00 H new ATOM 0 HA SER B 80 8.979 6.639 -8.721 1.00 0.00 H new ATOM 0 HB2 SER B 80 11.038 8.076 -9.343 1.00 0.00 H new ATOM 0 HB3 SER B 80 11.464 8.069 -7.644 1.00 0.00 H new ATOM 0 HG SER B 80 10.875 5.624 -8.990 1.00 0.00 H new ATOM 1239 N VAL B 81 9.499 5.416 -6.570 1.00 0.00 N ATOM 1240 CA VAL B 81 9.494 4.564 -5.364 1.00 0.00 C ATOM 1241 C VAL B 81 10.569 3.502 -5.566 1.00 0.00 C ATOM 1242 O VAL B 81 11.058 3.330 -6.683 1.00 0.00 O ATOM 1243 CB VAL B 81 8.134 3.856 -5.091 1.00 0.00 C ATOM 1244 CG1 VAL B 81 6.995 4.870 -5.009 1.00 0.00 C ATOM 1245 CG2 VAL B 81 7.752 2.812 -6.149 1.00 0.00 C ATOM 0 H VAL B 81 9.665 4.866 -7.413 1.00 0.00 H new ATOM 0 HA VAL B 81 9.678 5.204 -4.501 1.00 0.00 H new ATOM 0 HB VAL B 81 8.276 3.342 -4.140 1.00 0.00 H new ATOM 0 HG11 VAL B 81 6.057 4.349 -4.818 1.00 0.00 H new ATOM 0 HG12 VAL B 81 7.191 5.573 -4.199 1.00 0.00 H new ATOM 0 HG13 VAL B 81 6.923 5.413 -5.951 1.00 0.00 H new ATOM 0 HG21 VAL B 81 6.793 2.364 -5.888 1.00 0.00 H new ATOM 0 HG22 VAL B 81 7.674 3.293 -7.124 1.00 0.00 H new ATOM 0 HG23 VAL B 81 8.517 2.036 -6.187 1.00 0.00 H new ATOM 1255 N ASP B 82 10.899 2.735 -4.531 1.00 0.00 N ATOM 1256 CA ASP B 82 11.819 1.607 -4.666 1.00 0.00 C ATOM 1257 C ASP B 82 11.118 0.383 -5.305 1.00 0.00 C ATOM 1258 O ASP B 82 10.875 -0.627 -4.641 1.00 0.00 O ATOM 1259 CB ASP B 82 12.490 1.352 -3.304 1.00 0.00 C ATOM 1260 CG ASP B 82 13.640 0.348 -3.363 1.00 0.00 C ATOM 1261 OD1 ASP B 82 14.293 0.238 -4.425 1.00 0.00 O ATOM 1262 OD2 ASP B 82 13.930 -0.286 -2.323 1.00 0.00 O ATOM 0 H ASP B 82 10.542 2.874 -3.586 1.00 0.00 H new ATOM 0 HA ASP B 82 12.622 1.836 -5.367 1.00 0.00 H new ATOM 0 HB2 ASP B 82 12.865 2.297 -2.911 1.00 0.00 H new ATOM 0 HB3 ASP B 82 11.739 0.990 -2.601 1.00 0.00 H new ATOM 1267 N MET B 83 10.807 0.471 -6.614 1.00 0.00 N ATOM 1268 CA MET B 83 10.343 -0.640 -7.491 1.00 0.00 C ATOM 1269 C MET B 83 11.396 -1.763 -7.696 1.00 0.00 C ATOM 1270 O MET B 83 11.428 -2.442 -8.728 1.00 0.00 O ATOM 1271 CB MET B 83 9.983 -0.087 -8.891 1.00 0.00 C ATOM 1272 CG MET B 83 8.852 0.938 -8.989 1.00 0.00 C ATOM 1273 SD MET B 83 7.200 0.219 -8.825 1.00 0.00 S ATOM 1274 CE MET B 83 6.188 1.654 -9.256 1.00 0.00 C ATOM 0 H MET B 83 10.873 1.355 -7.118 1.00 0.00 H new ATOM 0 HA MET B 83 9.482 -1.072 -6.982 1.00 0.00 H new ATOM 0 HB2 MET B 83 10.881 0.365 -9.312 1.00 0.00 H new ATOM 0 HB3 MET B 83 9.723 -0.933 -9.527 1.00 0.00 H new ATOM 0 HG2 MET B 83 8.989 1.692 -8.214 1.00 0.00 H new ATOM 0 HG3 MET B 83 8.921 1.451 -9.948 1.00 0.00 H new ATOM 0 HE1 MET B 83 5.538 1.906 -8.418 1.00 0.00 H new ATOM 0 HE2 MET B 83 6.835 2.502 -9.481 1.00 0.00 H new ATOM 0 HE3 MET B 83 5.579 1.421 -10.130 1.00 0.00 H new ATOM 1284 N THR B 84 12.209 -2.038 -6.677 1.00 0.00 N ATOM 1285 CA THR B 84 13.069 -3.224 -6.567 1.00 0.00 C ATOM 1286 C THR B 84 12.215 -4.403 -6.115 1.00 0.00 C ATOM 1287 O THR B 84 12.359 -5.516 -6.627 1.00 0.00 O ATOM 1288 CB THR B 84 14.210 -2.932 -5.590 1.00 0.00 C ATOM 1289 OG1 THR B 84 14.858 -1.755 -6.015 1.00 0.00 O ATOM 1290 CG2 THR B 84 15.249 -4.044 -5.590 1.00 0.00 C ATOM 0 H THR B 84 12.293 -1.418 -5.871 1.00 0.00 H new ATOM 0 HA THR B 84 13.516 -3.475 -7.529 1.00 0.00 H new ATOM 0 HB THR B 84 13.788 -2.840 -4.589 1.00 0.00 H new ATOM 0 HG1 THR B 84 14.489 -0.986 -5.532 1.00 0.00 H new ATOM 0 HG21 THR B 84 16.043 -3.800 -4.884 1.00 0.00 H new ATOM 0 HG22 THR B 84 14.778 -4.982 -5.297 1.00 0.00 H new ATOM 0 HG23 THR B 84 15.671 -4.147 -6.589 1.00 0.00 H new ATOM 1298 N CYS B 85 11.249 -4.117 -5.241 1.00 0.00 N ATOM 1299 CA CYS B 85 10.086 -4.940 -4.980 1.00 0.00 C ATOM 1300 C CYS B 85 9.047 -4.848 -6.135 1.00 0.00 C ATOM 1301 O CYS B 85 8.884 -3.796 -6.763 1.00 0.00 O ATOM 1302 CB CYS B 85 9.570 -4.487 -3.614 1.00 0.00 C ATOM 1303 SG CYS B 85 8.566 -5.825 -2.923 1.00 0.00 S ATOM 0 H CYS B 85 11.264 -3.268 -4.676 1.00 0.00 H new ATOM 0 HA CYS B 85 10.319 -6.004 -4.947 1.00 0.00 H new ATOM 0 HB2 CYS B 85 10.403 -4.254 -2.950 1.00 0.00 H new ATOM 0 HB3 CYS B 85 8.977 -3.578 -3.713 1.00 0.00 H new ATOM 1308 N GLY B 86 8.359 -5.959 -6.418 1.00 0.00 N ATOM 1309 CA GLY B 86 7.476 -6.128 -7.582 1.00 0.00 C ATOM 1310 C GLY B 86 6.017 -5.749 -7.323 1.00 0.00 C ATOM 1311 O GLY B 86 5.326 -5.342 -8.261 1.00 0.00 O ATOM 0 H GLY B 86 8.401 -6.790 -5.828 1.00 0.00 H new ATOM 0 HA2 GLY B 86 7.857 -5.521 -8.404 1.00 0.00 H new ATOM 0 HA3 GLY B 86 7.517 -7.168 -7.907 1.00 0.00 H new ATOM 1315 N GLY B 87 5.554 -5.831 -6.069 1.00 0.00 N ATOM 1316 CA GLY B 87 4.174 -5.507 -5.679 1.00 0.00 C ATOM 1317 C GLY B 87 3.861 -4.011 -5.760 1.00 0.00 C ATOM 1318 O GLY B 87 2.704 -3.635 -5.941 1.00 0.00 O ATOM 0 H GLY B 87 6.135 -6.128 -5.285 1.00 0.00 H new ATOM 0 HA2 GLY B 87 3.484 -6.052 -6.323 1.00 0.00 H new ATOM 0 HA3 GLY B 87 4.000 -5.854 -4.660 1.00 0.00 H new ATOM 1322 N CYS B 88 4.889 -3.157 -5.726 1.00 0.00 N ATOM 1323 CA CYS B 88 4.797 -1.706 -5.924 1.00 0.00 C ATOM 1324 C CYS B 88 4.016 -1.328 -7.202 1.00 0.00 C ATOM 1325 O CYS B 88 3.110 -0.493 -7.147 1.00 0.00 O ATOM 1326 CB CYS B 88 6.233 -1.155 -5.944 1.00 0.00 C ATOM 1327 SG CYS B 88 7.082 -1.516 -4.381 1.00 0.00 S ATOM 0 H CYS B 88 5.845 -3.469 -5.553 1.00 0.00 H new ATOM 0 HA CYS B 88 4.229 -1.259 -5.108 1.00 0.00 H new ATOM 0 HB2 CYS B 88 6.785 -1.596 -6.774 1.00 0.00 H new ATOM 0 HB3 CYS B 88 6.212 -0.078 -6.112 1.00 0.00 H new ATOM 0 HG CYS B 88 8.292 -1.043 -4.425 1.00 0.00 H new ATOM 1333 N ALA B 89 4.302 -1.995 -8.328 1.00 0.00 N ATOM 1334 CA ALA B 89 3.607 -1.793 -9.605 1.00 0.00 C ATOM 1335 C ALA B 89 2.092 -2.056 -9.489 1.00 0.00 C ATOM 1336 O ALA B 89 1.278 -1.218 -9.876 1.00 0.00 O ATOM 1337 CB ALA B 89 4.270 -2.698 -10.653 1.00 0.00 C ATOM 0 H ALA B 89 5.035 -2.702 -8.377 1.00 0.00 H new ATOM 0 HA ALA B 89 3.697 -0.750 -9.910 1.00 0.00 H new ATOM 0 HB1 ALA B 89 3.772 -2.568 -11.614 1.00 0.00 H new ATOM 0 HB2 ALA B 89 5.322 -2.431 -10.751 1.00 0.00 H new ATOM 0 HB3 ALA B 89 4.187 -3.739 -10.340 1.00 0.00 H new ATOM 1343 N GLU B 90 1.729 -3.186 -8.875 1.00 0.00 N ATOM 1344 CA GLU B 90 0.339 -3.595 -8.641 1.00 0.00 C ATOM 1345 C GLU B 90 -0.407 -2.635 -7.699 1.00 0.00 C ATOM 1346 O GLU B 90 -1.618 -2.451 -7.842 1.00 0.00 O ATOM 1347 CB GLU B 90 0.302 -5.017 -8.049 1.00 0.00 C ATOM 1348 CG GLU B 90 1.022 -6.083 -8.889 1.00 0.00 C ATOM 1349 CD GLU B 90 0.479 -6.210 -10.312 1.00 0.00 C ATOM 1350 OE1 GLU B 90 -0.753 -6.099 -10.512 1.00 0.00 O ATOM 1351 OE2 GLU B 90 1.279 -6.471 -11.241 1.00 0.00 O ATOM 0 H GLU B 90 2.408 -3.858 -8.518 1.00 0.00 H new ATOM 0 HA GLU B 90 -0.166 -3.572 -9.607 1.00 0.00 H new ATOM 0 HB2 GLU B 90 0.750 -4.994 -7.056 1.00 0.00 H new ATOM 0 HB3 GLU B 90 -0.739 -5.316 -7.923 1.00 0.00 H new ATOM 0 HG2 GLU B 90 2.084 -5.842 -8.934 1.00 0.00 H new ATOM 0 HG3 GLU B 90 0.935 -7.047 -8.389 1.00 0.00 H new ATOM 1358 N ALA B 91 0.308 -2.017 -6.750 1.00 0.00 N ATOM 1359 CA ALA B 91 -0.217 -0.967 -5.885 1.00 0.00 C ATOM 1360 C ALA B 91 -0.458 0.347 -6.640 1.00 0.00 C ATOM 1361 O ALA B 91 -1.577 0.867 -6.583 1.00 0.00 O ATOM 1362 CB ALA B 91 0.710 -0.805 -4.671 1.00 0.00 C ATOM 0 H ALA B 91 1.285 -2.241 -6.563 1.00 0.00 H new ATOM 0 HA ALA B 91 -1.202 -1.262 -5.525 1.00 0.00 H new ATOM 0 HB1 ALA B 91 0.323 -0.021 -4.020 1.00 0.00 H new ATOM 0 HB2 ALA B 91 0.756 -1.745 -4.120 1.00 0.00 H new ATOM 0 HB3 ALA B 91 1.710 -0.534 -5.010 1.00 0.00 H new ATOM 1368 N VAL B 92 0.545 0.878 -7.353 1.00 0.00 N ATOM 1369 CA VAL B 92 0.420 2.217 -7.969 1.00 0.00 C ATOM 1370 C VAL B 92 -0.666 2.277 -9.049 1.00 0.00 C ATOM 1371 O VAL B 92 -1.375 3.278 -9.131 1.00 0.00 O ATOM 1372 CB VAL B 92 1.736 2.825 -8.508 1.00 0.00 C ATOM 1373 CG1 VAL B 92 2.756 3.034 -7.380 1.00 0.00 C ATOM 1374 CG2 VAL B 92 2.373 2.020 -9.645 1.00 0.00 C ATOM 0 H VAL B 92 1.439 0.415 -7.519 1.00 0.00 H new ATOM 0 HA VAL B 92 0.120 2.842 -7.128 1.00 0.00 H new ATOM 0 HB VAL B 92 1.453 3.790 -8.929 1.00 0.00 H new ATOM 0 HG11 VAL B 92 3.670 3.462 -7.791 1.00 0.00 H new ATOM 0 HG12 VAL B 92 2.340 3.712 -6.635 1.00 0.00 H new ATOM 0 HG13 VAL B 92 2.983 2.076 -6.912 1.00 0.00 H new ATOM 0 HG21 VAL B 92 3.291 2.511 -9.968 1.00 0.00 H new ATOM 0 HG22 VAL B 92 2.603 1.014 -9.294 1.00 0.00 H new ATOM 0 HG23 VAL B 92 1.678 1.962 -10.483 1.00 0.00 H new ATOM 1384 N SER B 93 -0.874 1.214 -9.838 1.00 0.00 N ATOM 1385 CA SER B 93 -1.941 1.224 -10.851 1.00 0.00 C ATOM 1386 C SER B 93 -3.342 1.248 -10.214 1.00 0.00 C ATOM 1387 O SER B 93 -4.213 2.016 -10.637 1.00 0.00 O ATOM 1388 CB SER B 93 -1.754 0.062 -11.842 1.00 0.00 C ATOM 1389 OG SER B 93 -1.956 -1.227 -11.288 1.00 0.00 O ATOM 0 H SER B 93 -0.330 0.352 -9.798 1.00 0.00 H new ATOM 0 HA SER B 93 -1.862 2.150 -11.420 1.00 0.00 H new ATOM 0 HB2 SER B 93 -2.445 0.197 -12.674 1.00 0.00 H new ATOM 0 HB3 SER B 93 -0.746 0.112 -12.253 1.00 0.00 H new ATOM 0 HG SER B 93 -1.820 -1.906 -11.981 1.00 0.00 H new ATOM 1395 N ARG B 94 -3.537 0.468 -9.142 1.00 0.00 N ATOM 1396 CA ARG B 94 -4.788 0.409 -8.378 1.00 0.00 C ATOM 1397 C ARG B 94 -5.049 1.653 -7.520 1.00 0.00 C ATOM 1398 O ARG B 94 -6.186 2.125 -7.504 1.00 0.00 O ATOM 1399 CB ARG B 94 -4.827 -0.877 -7.540 1.00 0.00 C ATOM 1400 CG ARG B 94 -4.990 -2.097 -8.460 1.00 0.00 C ATOM 1401 CD ARG B 94 -4.918 -3.413 -7.683 1.00 0.00 C ATOM 1402 NE ARG B 94 -5.024 -4.567 -8.584 1.00 0.00 N ATOM 1403 CZ ARG B 94 -4.085 -5.016 -9.406 1.00 0.00 C ATOM 1404 NH1 ARG B 94 -2.876 -4.499 -9.474 1.00 0.00 N ATOM 1405 NH2 ARG B 94 -4.374 -6.020 -10.192 1.00 0.00 N ATOM 0 H ARG B 94 -2.814 -0.151 -8.775 1.00 0.00 H new ATOM 0 HA ARG B 94 -5.602 0.392 -9.102 1.00 0.00 H new ATOM 0 HB2 ARG B 94 -3.910 -0.970 -6.958 1.00 0.00 H new ATOM 0 HB3 ARG B 94 -5.653 -0.834 -6.830 1.00 0.00 H new ATOM 0 HG2 ARG B 94 -5.946 -2.034 -8.980 1.00 0.00 H new ATOM 0 HG3 ARG B 94 -4.211 -2.083 -9.223 1.00 0.00 H new ATOM 0 HD2 ARG B 94 -3.978 -3.463 -7.133 1.00 0.00 H new ATOM 0 HD3 ARG B 94 -5.721 -3.448 -6.947 1.00 0.00 H new ATOM 0 HE ARG B 94 -5.909 -5.075 -8.577 1.00 0.00 H new ATOM 0 HH11 ARG B 94 -2.623 -3.713 -8.875 1.00 0.00 H new ATOM 0 HH12 ARG B 94 -2.192 -4.885 -10.125 1.00 0.00 H new ATOM 0 HH21 ARG B 94 -5.304 -6.439 -10.164 1.00 0.00 H new ATOM 0 HH22 ARG B 94 -3.670 -6.384 -10.834 1.00 0.00 H new ATOM 1419 N VAL B 95 -4.046 2.203 -6.826 1.00 0.00 N ATOM 1420 CA VAL B 95 -4.257 3.342 -5.903 1.00 0.00 C ATOM 1421 C VAL B 95 -4.593 4.651 -6.641 1.00 0.00 C ATOM 1422 O VAL B 95 -5.313 5.490 -6.104 1.00 0.00 O ATOM 1423 CB VAL B 95 -3.076 3.515 -4.915 1.00 0.00 C ATOM 1424 CG1 VAL B 95 -1.886 4.273 -5.528 1.00 0.00 C ATOM 1425 CG2 VAL B 95 -3.521 4.208 -3.617 1.00 0.00 C ATOM 0 H VAL B 95 -3.079 1.884 -6.881 1.00 0.00 H new ATOM 0 HA VAL B 95 -5.136 3.095 -5.308 1.00 0.00 H new ATOM 0 HB VAL B 95 -2.738 2.505 -4.682 1.00 0.00 H new ATOM 0 HG11 VAL B 95 -1.091 4.362 -4.788 1.00 0.00 H new ATOM 0 HG12 VAL B 95 -1.515 3.727 -6.395 1.00 0.00 H new ATOM 0 HG13 VAL B 95 -2.208 5.268 -5.836 1.00 0.00 H new ATOM 0 HG21 VAL B 95 -2.666 4.312 -2.949 1.00 0.00 H new ATOM 0 HG22 VAL B 95 -3.922 5.195 -3.850 1.00 0.00 H new ATOM 0 HG23 VAL B 95 -4.291 3.609 -3.131 1.00 0.00 H new ATOM 1435 N LEU B 96 -4.148 4.812 -7.896 1.00 0.00 N ATOM 1436 CA LEU B 96 -4.522 5.948 -8.751 1.00 0.00 C ATOM 1437 C LEU B 96 -6.017 5.953 -9.122 1.00 0.00 C ATOM 1438 O LEU B 96 -6.599 7.027 -9.278 1.00 0.00 O ATOM 1439 CB LEU B 96 -3.610 5.949 -9.997 1.00 0.00 C ATOM 1440 CG LEU B 96 -2.435 6.949 -9.913 1.00 0.00 C ATOM 1441 CD1 LEU B 96 -1.547 6.779 -8.668 1.00 0.00 C ATOM 1442 CD2 LEU B 96 -1.569 6.820 -11.174 1.00 0.00 C ATOM 0 H LEU B 96 -3.514 4.153 -8.349 1.00 0.00 H new ATOM 0 HA LEU B 96 -4.371 6.871 -8.191 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -3.210 4.946 -10.143 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -4.212 6.184 -10.875 1.00 0.00 H new ATOM 0 HG LEU B 96 -2.883 7.940 -9.835 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -0.747 7.520 -8.688 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -2.149 6.918 -7.770 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -1.115 5.778 -8.663 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -0.739 7.524 -11.119 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -1.180 5.804 -11.246 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -2.173 7.040 -12.054 1.00 0.00 H new ATOM 1454 N ASN B 97 -6.672 4.787 -9.171 1.00 0.00 N ATOM 1455 CA ASN B 97 -8.117 4.683 -9.424 1.00 0.00 C ATOM 1456 C ASN B 97 -8.968 5.362 -8.322 1.00 0.00 C ATOM 1457 O ASN B 97 -10.107 5.753 -8.566 1.00 0.00 O ATOM 1458 CB ASN B 97 -8.482 3.196 -9.598 1.00 0.00 C ATOM 1459 CG ASN B 97 -9.799 2.940 -10.333 1.00 0.00 C ATOM 1460 OD1 ASN B 97 -10.435 3.837 -10.869 1.00 0.00 O ATOM 1461 ND2 ASN B 97 -10.211 1.689 -10.423 1.00 0.00 N ATOM 0 H ASN B 97 -6.215 3.885 -9.036 1.00 0.00 H new ATOM 0 HA ASN B 97 -8.350 5.225 -10.340 1.00 0.00 H new ATOM 0 HB2 ASN B 97 -7.677 2.700 -10.141 1.00 0.00 H new ATOM 0 HB3 ASN B 97 -8.536 2.732 -8.613 1.00 0.00 H new ATOM 0 HD21 ASN B 97 -11.062 1.468 -10.941 1.00 0.00 H new ATOM 0 HD22 ASN B 97 -9.679 0.943 -9.975 1.00 0.00 H new ATOM 1468 N LYS B 98 -8.410 5.588 -7.121 1.00 0.00 N ATOM 1469 CA LYS B 98 -9.062 6.363 -6.052 1.00 0.00 C ATOM 1470 C LYS B 98 -9.327 7.827 -6.457 1.00 0.00 C ATOM 1471 O LYS B 98 -10.351 8.392 -6.080 1.00 0.00 O ATOM 1472 CB LYS B 98 -8.202 6.313 -4.773 1.00 0.00 C ATOM 1473 CG LYS B 98 -7.959 4.909 -4.187 1.00 0.00 C ATOM 1474 CD LYS B 98 -9.256 4.204 -3.768 1.00 0.00 C ATOM 1475 CE LYS B 98 -8.933 2.913 -3.009 1.00 0.00 C ATOM 1476 NZ LYS B 98 -10.163 2.259 -2.516 1.00 0.00 N ATOM 0 H LYS B 98 -7.488 5.236 -6.863 1.00 0.00 H new ATOM 0 HA LYS B 98 -10.033 5.905 -5.865 1.00 0.00 H new ATOM 0 HB2 LYS B 98 -7.236 6.769 -4.989 1.00 0.00 H new ATOM 0 HB3 LYS B 98 -8.681 6.927 -4.011 1.00 0.00 H new ATOM 0 HG2 LYS B 98 -7.441 4.297 -4.926 1.00 0.00 H new ATOM 0 HG3 LYS B 98 -7.300 4.991 -3.322 1.00 0.00 H new ATOM 0 HD2 LYS B 98 -9.851 4.865 -3.139 1.00 0.00 H new ATOM 0 HD3 LYS B 98 -9.856 3.976 -4.649 1.00 0.00 H new ATOM 0 HE2 LYS B 98 -8.392 2.229 -3.663 1.00 0.00 H new ATOM 0 HE3 LYS B 98 -8.276 3.137 -2.169 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 -10.111 2.156 -1.482 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 -10.989 2.840 -2.765 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 -10.256 1.320 -2.953 1.00 0.00 H new ATOM 1490 N LEU B 99 -8.425 8.442 -7.233 1.00 0.00 N ATOM 1491 CA LEU B 99 -8.689 9.692 -7.957 1.00 0.00 C ATOM 1492 C LEU B 99 -9.572 9.441 -9.187 1.00 0.00 C ATOM 1493 O LEU B 99 -10.636 10.049 -9.329 1.00 0.00 O ATOM 1494 CB LEU B 99 -7.355 10.366 -8.341 1.00 0.00 C ATOM 1495 CG LEU B 99 -6.476 10.815 -7.154 1.00 0.00 C ATOM 1496 CD1 LEU B 99 -5.144 11.367 -7.685 1.00 0.00 C ATOM 1497 CD2 LEU B 99 -7.166 11.877 -6.286 1.00 0.00 C ATOM 0 H LEU B 99 -7.482 8.082 -7.377 1.00 0.00 H new ATOM 0 HA LEU B 99 -9.239 10.370 -7.304 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.780 9.673 -8.955 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -7.572 11.236 -8.961 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.302 9.943 -6.524 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.522 11.685 -6.848 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.626 10.590 -8.247 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -5.337 12.219 -8.337 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.507 12.160 -5.465 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -7.387 12.755 -6.893 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -8.094 11.471 -5.883 1.00 0.00 H new ATOM 1509 N GLY B 100 -9.133 8.530 -10.064 1.00 0.00 N ATOM 1510 CA GLY B 100 -9.775 8.234 -11.350 1.00 0.00 C ATOM 1511 C GLY B 100 -9.375 9.221 -12.454 1.00 0.00 C ATOM 1512 O GLY B 100 -9.001 10.366 -12.184 1.00 0.00 O ATOM 0 H GLY B 100 -8.301 7.965 -9.895 1.00 0.00 H new ATOM 0 HA2 GLY B 100 -9.510 7.223 -11.659 1.00 0.00 H new ATOM 0 HA3 GLY B 100 -10.858 8.255 -11.224 1.00 0.00 H new ATOM 1516 N GLY B 101 -9.460 8.766 -13.708 1.00 0.00 N ATOM 1517 CA GLY B 101 -9.189 9.567 -14.907 1.00 0.00 C ATOM 1518 C GLY B 101 -7.751 10.075 -14.948 1.00 0.00 C ATOM 1519 O GLY B 101 -7.511 11.237 -14.627 1.00 0.00 O ATOM 0 H GLY B 101 -9.726 7.805 -13.923 1.00 0.00 H new ATOM 0 HA2 GLY B 101 -9.386 8.966 -15.795 1.00 0.00 H new ATOM 0 HA3 GLY B 101 -9.873 10.415 -14.938 1.00 0.00 H new ATOM 1523 N VAL B 102 -6.803 9.202 -15.291 1.00 0.00 N ATOM 1524 CA VAL B 102 -5.365 9.521 -15.351 1.00 0.00 C ATOM 1525 C VAL B 102 -4.641 8.686 -16.415 1.00 0.00 C ATOM 1526 O VAL B 102 -4.779 7.465 -16.464 1.00 0.00 O ATOM 1527 CB VAL B 102 -4.651 9.342 -13.984 1.00 0.00 C ATOM 1528 CG1 VAL B 102 -4.888 10.532 -13.040 1.00 0.00 C ATOM 1529 CG2 VAL B 102 -5.037 8.051 -13.238 1.00 0.00 C ATOM 0 H VAL B 102 -7.010 8.235 -15.540 1.00 0.00 H new ATOM 0 HA VAL B 102 -5.312 10.575 -15.625 1.00 0.00 H new ATOM 0 HB VAL B 102 -3.596 9.280 -14.250 1.00 0.00 H new ATOM 0 HG11 VAL B 102 -4.368 10.358 -12.098 1.00 0.00 H new ATOM 0 HG12 VAL B 102 -4.508 11.444 -13.501 1.00 0.00 H new ATOM 0 HG13 VAL B 102 -5.956 10.639 -12.850 1.00 0.00 H new ATOM 0 HG21 VAL B 102 -4.496 8.001 -12.293 1.00 0.00 H new ATOM 0 HG22 VAL B 102 -6.109 8.051 -13.042 1.00 0.00 H new ATOM 0 HG23 VAL B 102 -4.780 7.186 -13.850 1.00 0.00 H new ATOM 1539 N LYS B 103 -3.820 9.344 -17.237 1.00 0.00 N ATOM 1540 CA LYS B 103 -2.854 8.708 -18.141 1.00 0.00 C ATOM 1541 C LYS B 103 -1.542 8.458 -17.380 1.00 0.00 C ATOM 1542 O LYS B 103 -0.982 9.393 -16.808 1.00 0.00 O ATOM 1543 CB LYS B 103 -2.634 9.639 -19.349 1.00 0.00 C ATOM 1544 CG LYS B 103 -3.770 9.533 -20.381 1.00 0.00 C ATOM 1545 CD LYS B 103 -3.608 10.494 -21.572 1.00 0.00 C ATOM 1546 CE LYS B 103 -3.673 11.970 -21.152 1.00 0.00 C ATOM 1547 NZ LYS B 103 -3.697 12.885 -22.319 1.00 0.00 N ATOM 0 H LYS B 103 -3.807 10.362 -17.295 1.00 0.00 H new ATOM 0 HA LYS B 103 -3.225 7.748 -18.500 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -2.556 10.669 -19.002 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -1.687 9.392 -19.828 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -3.818 8.510 -20.754 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -4.720 9.737 -19.886 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -2.654 10.301 -22.063 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -4.390 10.294 -22.305 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -4.564 12.134 -20.546 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -2.813 12.206 -20.525 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -3.469 13.851 -22.008 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -2.995 12.573 -23.020 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -4.644 12.874 -22.749 1.00 0.00 H new ATOM 1561 N TYR B 104 -1.048 7.215 -17.344 1.00 0.00 N ATOM 1562 CA TYR B 104 0.192 6.871 -16.625 1.00 0.00 C ATOM 1563 C TYR B 104 0.896 5.585 -17.094 1.00 0.00 C ATOM 1564 O TYR B 104 0.252 4.655 -17.587 1.00 0.00 O ATOM 1565 CB TYR B 104 -0.043 6.826 -15.104 1.00 0.00 C ATOM 1566 CG TYR B 104 -0.874 5.649 -14.641 1.00 0.00 C ATOM 1567 CD1 TYR B 104 -0.251 4.425 -14.323 1.00 0.00 C ATOM 1568 CD2 TYR B 104 -2.272 5.767 -14.563 1.00 0.00 C ATOM 1569 CE1 TYR B 104 -1.030 3.308 -13.975 1.00 0.00 C ATOM 1570 CE2 TYR B 104 -3.057 4.662 -14.190 1.00 0.00 C ATOM 1571 CZ TYR B 104 -2.438 3.420 -13.932 1.00 0.00 C ATOM 1572 OH TYR B 104 -3.191 2.321 -13.664 1.00 0.00 O ATOM 0 H TYR B 104 -1.490 6.422 -17.808 1.00 0.00 H new ATOM 0 HA TYR B 104 0.879 7.679 -16.875 1.00 0.00 H new ATOM 0 HB2 TYR B 104 0.922 6.796 -14.599 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -0.536 7.748 -14.796 1.00 0.00 H new ATOM 0 HD1 TYR B 104 0.826 4.346 -14.347 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -2.745 6.711 -14.791 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -0.554 2.367 -13.741 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -4.129 4.763 -14.101 1.00 0.00 H new ATOM 0 HH TYR B 104 -4.140 2.565 -13.670 1.00 0.00 H new ATOM 1582 N ASP B 105 2.208 5.508 -16.853 1.00 0.00 N ATOM 1583 CA ASP B 105 3.104 4.412 -17.246 1.00 0.00 C ATOM 1584 C ASP B 105 4.248 4.217 -16.224 1.00 0.00 C ATOM 1585 O ASP B 105 4.655 5.166 -15.560 1.00 0.00 O ATOM 1586 CB ASP B 105 3.647 4.734 -18.648 1.00 0.00 C ATOM 1587 CG ASP B 105 4.551 3.639 -19.209 1.00 0.00 C ATOM 1588 OD1 ASP B 105 4.134 2.459 -19.215 1.00 0.00 O ATOM 1589 OD2 ASP B 105 5.667 3.979 -19.671 1.00 0.00 O ATOM 0 H ASP B 105 2.702 6.247 -16.352 1.00 0.00 H new ATOM 0 HA ASP B 105 2.555 3.470 -17.265 1.00 0.00 H new ATOM 0 HB2 ASP B 105 2.809 4.889 -19.328 1.00 0.00 H new ATOM 0 HB3 ASP B 105 4.203 5.671 -18.609 1.00 0.00 H new ATOM 1594 N ILE B 106 4.753 2.985 -16.085 1.00 0.00 N ATOM 1595 CA ILE B 106 5.705 2.545 -15.040 1.00 0.00 C ATOM 1596 C ILE B 106 6.987 1.969 -15.671 1.00 0.00 C ATOM 1597 O ILE B 106 6.921 1.211 -16.647 1.00 0.00 O ATOM 1598 CB ILE B 106 5.034 1.474 -14.131 1.00 0.00 C ATOM 1599 CG1 ILE B 106 3.646 1.910 -13.592 1.00 0.00 C ATOM 1600 CG2 ILE B 106 5.969 1.104 -12.962 1.00 0.00 C ATOM 1601 CD1 ILE B 106 2.866 0.782 -12.903 1.00 0.00 C ATOM 0 H ILE B 106 4.502 2.229 -16.723 1.00 0.00 H new ATOM 0 HA ILE B 106 5.979 3.411 -14.438 1.00 0.00 H new ATOM 0 HB ILE B 106 4.863 0.599 -14.757 1.00 0.00 H new ATOM 0 HG12 ILE B 106 3.782 2.729 -12.886 1.00 0.00 H new ATOM 0 HG13 ILE B 106 3.051 2.298 -14.419 1.00 0.00 H new ATOM 0 HG21 ILE B 106 5.487 0.354 -12.334 1.00 0.00 H new ATOM 0 HG22 ILE B 106 6.903 0.702 -13.356 1.00 0.00 H new ATOM 0 HG23 ILE B 106 6.179 1.994 -12.368 1.00 0.00 H new ATOM 0 HD11 ILE B 106 1.907 1.164 -12.553 1.00 0.00 H new ATOM 0 HD12 ILE B 106 2.697 -0.029 -13.611 1.00 0.00 H new ATOM 0 HD13 ILE B 106 3.439 0.409 -12.054 1.00 0.00 H new ATOM 1613 N ASP B 107 8.151 2.274 -15.089 1.00 0.00 N ATOM 1614 CA ASP B 107 9.460 1.724 -15.477 1.00 0.00 C ATOM 1615 C ASP B 107 10.132 0.975 -14.316 1.00 0.00 C ATOM 1616 O ASP B 107 10.220 1.497 -13.204 1.00 0.00 O ATOM 1617 CB ASP B 107 10.371 2.866 -15.951 1.00 0.00 C ATOM 1618 CG ASP B 107 11.495 2.360 -16.846 1.00 0.00 C ATOM 1619 OD1 ASP B 107 11.223 2.153 -18.052 1.00 0.00 O ATOM 1620 OD2 ASP B 107 12.633 2.205 -16.355 1.00 0.00 O ATOM 0 H ASP B 107 8.214 2.930 -14.311 1.00 0.00 H new ATOM 0 HA ASP B 107 9.300 1.009 -16.284 1.00 0.00 H new ATOM 0 HB2 ASP B 107 9.778 3.602 -16.494 1.00 0.00 H new ATOM 0 HB3 ASP B 107 10.796 3.374 -15.086 1.00 0.00 H new ATOM 1625 N LEU B 108 10.636 -0.235 -14.578 1.00 0.00 N ATOM 1626 CA LEU B 108 11.286 -1.086 -13.575 1.00 0.00 C ATOM 1627 C LEU B 108 12.783 -0.764 -13.379 1.00 0.00 C ATOM 1628 O LEU B 108 13.165 -0.565 -12.219 1.00 0.00 O ATOM 1629 CB LEU B 108 11.047 -2.576 -13.909 1.00 0.00 C ATOM 1630 CG LEU B 108 9.696 -3.174 -13.453 1.00 0.00 C ATOM 1631 CD1 LEU B 108 9.568 -3.224 -11.923 1.00 0.00 C ATOM 1632 CD2 LEU B 108 8.480 -2.444 -14.040 1.00 0.00 C ATOM 0 H LEU B 108 10.604 -0.657 -15.506 1.00 0.00 H new ATOM 0 HA LEU B 108 10.823 -0.868 -12.613 1.00 0.00 H new ATOM 0 HB2 LEU B 108 11.129 -2.702 -14.989 1.00 0.00 H new ATOM 0 HB3 LEU B 108 11.849 -3.160 -13.458 1.00 0.00 H new ATOM 0 HG LEU B 108 9.698 -4.192 -13.844 1.00 0.00 H new ATOM 0 HD11 LEU B 108 8.603 -3.652 -11.652 1.00 0.00 H new ATOM 0 HD12 LEU B 108 10.366 -3.841 -11.511 1.00 0.00 H new ATOM 0 HD13 LEU B 108 9.644 -2.215 -11.518 1.00 0.00 H new ATOM 0 HD21 LEU B 108 7.565 -2.914 -13.680 1.00 0.00 H new ATOM 0 HD22 LEU B 108 8.498 -1.399 -13.729 1.00 0.00 H new ATOM 0 HD23 LEU B 108 8.513 -2.500 -15.128 1.00 0.00 H new ATOM 1644 N PRO B 109 13.637 -0.682 -14.426 1.00 0.00 N ATOM 1645 CA PRO B 109 15.065 -0.428 -14.239 1.00 0.00 C ATOM 1646 C PRO B 109 15.370 1.012 -13.799 1.00 0.00 C ATOM 1647 O PRO B 109 16.358 1.214 -13.096 1.00 0.00 O ATOM 1648 CB PRO B 109 15.735 -0.795 -15.570 1.00 0.00 C ATOM 1649 CG PRO B 109 14.628 -0.609 -16.602 1.00 0.00 C ATOM 1650 CD PRO B 109 13.366 -0.983 -15.828 1.00 0.00 C ATOM 0 HA PRO B 109 15.459 -1.033 -13.422 1.00 0.00 H new ATOM 0 HB2 PRO B 109 16.588 -0.150 -15.779 1.00 0.00 H new ATOM 0 HB3 PRO B 109 16.105 -1.820 -15.562 1.00 0.00 H new ATOM 0 HG2 PRO B 109 14.587 0.417 -16.969 1.00 0.00 H new ATOM 0 HG3 PRO B 109 14.774 -1.252 -17.470 1.00 0.00 H new ATOM 0 HD2 PRO B 109 12.508 -0.416 -16.188 1.00 0.00 H new ATOM 0 HD3 PRO B 109 13.128 -2.039 -15.960 1.00 0.00 H new ATOM 1658 N ASN B 110 14.541 2.007 -14.143 1.00 0.00 N ATOM 1659 CA ASN B 110 14.655 3.366 -13.588 1.00 0.00 C ATOM 1660 C ASN B 110 13.812 3.579 -12.309 1.00 0.00 C ATOM 1661 O ASN B 110 14.075 4.523 -11.562 1.00 0.00 O ATOM 1662 CB ASN B 110 14.276 4.383 -14.675 1.00 0.00 C ATOM 1663 CG ASN B 110 14.702 5.803 -14.322 1.00 0.00 C ATOM 1664 OD1 ASN B 110 13.889 6.711 -14.186 1.00 0.00 O ATOM 1665 ND2 ASN B 110 15.986 6.052 -14.192 1.00 0.00 N ATOM 0 H ASN B 110 13.777 1.896 -14.809 1.00 0.00 H new ATOM 0 HA ASN B 110 15.691 3.513 -13.281 1.00 0.00 H new ATOM 0 HB2 ASN B 110 14.740 4.092 -15.617 1.00 0.00 H new ATOM 0 HB3 ASN B 110 13.197 4.359 -14.830 1.00 0.00 H new ATOM 0 HD21 ASN B 110 16.303 6.998 -13.979 1.00 0.00 H new ATOM 0 HD22 ASN B 110 16.665 5.300 -14.304 1.00 0.00 H new ATOM 1672 N LYS B 111 12.819 2.712 -12.063 1.00 0.00 N ATOM 1673 CA LYS B 111 11.923 2.636 -10.887 1.00 0.00 C ATOM 1674 C LYS B 111 10.785 3.696 -10.862 1.00 0.00 C ATOM 1675 O LYS B 111 10.104 3.867 -9.848 1.00 0.00 O ATOM 1676 CB LYS B 111 12.713 2.600 -9.557 1.00 0.00 C ATOM 1677 CG LYS B 111 13.865 1.578 -9.479 1.00 0.00 C ATOM 1678 CD LYS B 111 14.423 1.505 -8.045 1.00 0.00 C ATOM 1679 CE LYS B 111 15.858 0.962 -7.979 1.00 0.00 C ATOM 1680 NZ LYS B 111 15.967 -0.483 -8.292 1.00 0.00 N ATOM 0 H LYS B 111 12.598 1.979 -12.738 1.00 0.00 H new ATOM 0 HA LYS B 111 11.407 1.682 -10.996 1.00 0.00 H new ATOM 0 HB2 LYS B 111 13.123 3.593 -9.375 1.00 0.00 H new ATOM 0 HB3 LYS B 111 12.013 2.390 -8.748 1.00 0.00 H new ATOM 0 HG2 LYS B 111 13.509 0.595 -9.788 1.00 0.00 H new ATOM 0 HG3 LYS B 111 14.658 1.861 -10.171 1.00 0.00 H new ATOM 0 HD2 LYS B 111 14.398 2.500 -7.602 1.00 0.00 H new ATOM 0 HD3 LYS B 111 13.774 0.871 -7.442 1.00 0.00 H new ATOM 0 HE2 LYS B 111 16.481 1.523 -8.676 1.00 0.00 H new ATOM 0 HE3 LYS B 111 16.258 1.139 -6.980 1.00 0.00 H new ATOM 0 HZ1 LYS B 111 16.967 -0.734 -8.428 1.00 0.00 H new ATOM 0 HZ2 LYS B 111 15.574 -1.039 -7.506 1.00 0.00 H new ATOM 0 HZ3 LYS B 111 15.437 -0.691 -9.162 1.00 0.00 H new ATOM 1694 N LYS B 112 10.584 4.436 -11.960 1.00 0.00 N ATOM 1695 CA LYS B 112 9.727 5.630 -12.020 1.00 0.00 C ATOM 1696 C LYS B 112 8.235 5.320 -12.288 1.00 0.00 C ATOM 1697 O LYS B 112 7.888 4.237 -12.764 1.00 0.00 O ATOM 1698 CB LYS B 112 10.304 6.593 -13.085 1.00 0.00 C ATOM 1699 CG LYS B 112 9.812 6.250 -14.503 1.00 0.00 C ATOM 1700 CD LYS B 112 10.676 6.777 -15.651 1.00 0.00 C ATOM 1701 CE LYS B 112 10.773 8.303 -15.632 1.00 0.00 C ATOM 1702 NZ LYS B 112 11.220 8.841 -16.934 1.00 0.00 N ATOM 0 H LYS B 112 11.023 4.217 -12.854 1.00 0.00 H new ATOM 0 HA LYS B 112 9.738 6.098 -11.035 1.00 0.00 H new ATOM 0 HB2 LYS B 112 10.019 7.616 -12.840 1.00 0.00 H new ATOM 0 HB3 LYS B 112 11.393 6.551 -13.059 1.00 0.00 H new ATOM 0 HG2 LYS B 112 9.744 5.166 -14.592 1.00 0.00 H new ATOM 0 HG3 LYS B 112 8.802 6.643 -14.622 1.00 0.00 H new ATOM 0 HD2 LYS B 112 11.676 6.348 -15.581 1.00 0.00 H new ATOM 0 HD3 LYS B 112 10.255 6.451 -16.602 1.00 0.00 H new ATOM 0 HE2 LYS B 112 9.801 8.726 -15.378 1.00 0.00 H new ATOM 0 HE3 LYS B 112 11.469 8.613 -14.852 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 10.855 9.808 -17.054 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 12.259 8.857 -16.965 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 10.860 8.238 -17.701 1.00 0.00 H new ATOM 1716 N VAL B 113 7.383 6.330 -12.103 1.00 0.00 N ATOM 1717 CA VAL B 113 6.026 6.415 -12.663 1.00 0.00 C ATOM 1718 C VAL B 113 5.881 7.771 -13.372 1.00 0.00 C ATOM 1719 O VAL B 113 6.194 8.809 -12.788 1.00 0.00 O ATOM 1720 CB VAL B 113 4.930 6.256 -11.579 1.00 0.00 C ATOM 1721 CG1 VAL B 113 3.526 6.200 -12.211 1.00 0.00 C ATOM 1722 CG2 VAL B 113 5.130 4.985 -10.732 1.00 0.00 C ATOM 0 H VAL B 113 7.625 7.144 -11.538 1.00 0.00 H new ATOM 0 HA VAL B 113 5.888 5.594 -13.367 1.00 0.00 H new ATOM 0 HB VAL B 113 5.015 7.130 -10.934 1.00 0.00 H new ATOM 0 HG11 VAL B 113 2.778 6.088 -11.426 1.00 0.00 H new ATOM 0 HG12 VAL B 113 3.338 7.121 -12.763 1.00 0.00 H new ATOM 0 HG13 VAL B 113 3.467 5.351 -12.892 1.00 0.00 H new ATOM 0 HG21 VAL B 113 4.338 4.917 -9.986 1.00 0.00 H new ATOM 0 HG22 VAL B 113 5.096 4.108 -11.378 1.00 0.00 H new ATOM 0 HG23 VAL B 113 6.097 5.030 -10.231 1.00 0.00 H new ATOM 1732 N CYS B 114 5.427 7.754 -14.628 1.00 0.00 N ATOM 1733 CA CYS B 114 5.198 8.926 -15.482 1.00 0.00 C ATOM 1734 C CYS B 114 3.692 9.167 -15.657 1.00 0.00 C ATOM 1735 O CYS B 114 2.994 8.255 -16.102 1.00 0.00 O ATOM 1736 CB CYS B 114 5.836 8.654 -16.853 1.00 0.00 C ATOM 1737 SG CYS B 114 7.636 8.558 -16.716 1.00 0.00 S ATOM 0 H CYS B 114 5.197 6.880 -15.102 1.00 0.00 H new ATOM 0 HA CYS B 114 5.641 9.810 -15.023 1.00 0.00 H new ATOM 0 HB2 CYS B 114 5.448 7.721 -17.261 1.00 0.00 H new ATOM 0 HB3 CYS B 114 5.562 9.446 -17.550 1.00 0.00 H new ATOM 0 HG CYS B 114 8.149 8.326 -17.888 1.00 0.00 H new ATOM 1743 N ILE B 115 3.180 10.363 -15.353 1.00 0.00 N ATOM 1744 CA ILE B 115 1.735 10.677 -15.322 1.00 0.00 C ATOM 1745 C ILE B 115 1.419 11.916 -16.191 1.00 0.00 C ATOM 1746 O ILE B 115 2.223 12.849 -16.263 1.00 0.00 O ATOM 1747 CB ILE B 115 1.270 10.846 -13.842 1.00 0.00 C ATOM 1748 CG1 ILE B 115 1.596 9.603 -12.975 1.00 0.00 C ATOM 1749 CG2 ILE B 115 -0.234 11.189 -13.757 1.00 0.00 C ATOM 1750 CD1 ILE B 115 1.267 9.745 -11.483 1.00 0.00 C ATOM 0 H ILE B 115 3.766 11.163 -15.115 1.00 0.00 H new ATOM 0 HA ILE B 115 1.172 9.850 -15.755 1.00 0.00 H new ATOM 0 HB ILE B 115 1.836 11.684 -13.435 1.00 0.00 H new ATOM 0 HG12 ILE B 115 1.048 8.749 -13.372 1.00 0.00 H new ATOM 0 HG13 ILE B 115 2.657 9.376 -13.077 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -0.523 11.300 -12.712 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -0.425 12.122 -14.287 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -0.816 10.388 -14.212 1.00 0.00 H new ATOM 0 HD11 ILE B 115 1.531 8.824 -10.963 1.00 0.00 H new ATOM 0 HD12 ILE B 115 1.835 10.575 -11.063 1.00 0.00 H new ATOM 0 HD13 ILE B 115 0.201 9.937 -11.362 1.00 0.00 H new ATOM 1762 N GLU B 116 0.234 11.941 -16.814 1.00 0.00 N ATOM 1763 CA GLU B 116 -0.398 13.115 -17.428 1.00 0.00 C ATOM 1764 C GLU B 116 -1.833 13.271 -16.882 1.00 0.00 C ATOM 1765 O GLU B 116 -2.729 12.494 -17.223 1.00 0.00 O ATOM 1766 CB GLU B 116 -0.395 12.979 -18.965 1.00 0.00 C ATOM 1767 CG GLU B 116 -0.886 14.267 -19.649 1.00 0.00 C ATOM 1768 CD GLU B 116 -0.949 14.195 -21.175 1.00 0.00 C ATOM 1769 OE1 GLU B 116 -0.434 13.238 -21.801 1.00 0.00 O ATOM 1770 OE2 GLU B 116 -1.559 15.113 -21.774 1.00 0.00 O ATOM 0 H GLU B 116 -0.338 11.102 -16.908 1.00 0.00 H new ATOM 0 HA GLU B 116 0.168 14.011 -17.173 1.00 0.00 H new ATOM 0 HB2 GLU B 116 0.613 12.746 -19.308 1.00 0.00 H new ATOM 0 HB3 GLU B 116 -1.033 12.145 -19.258 1.00 0.00 H new ATOM 0 HG2 GLU B 116 -1.879 14.509 -19.269 1.00 0.00 H new ATOM 0 HG3 GLU B 116 -0.227 15.087 -19.364 1.00 0.00 H new ATOM 1777 N SER B 117 -2.090 14.271 -16.036 1.00 0.00 N ATOM 1778 CA SER B 117 -3.370 14.399 -15.310 1.00 0.00 C ATOM 1779 C SER B 117 -3.919 15.834 -15.199 1.00 0.00 C ATOM 1780 O SER B 117 -3.192 16.804 -15.431 1.00 0.00 O ATOM 1781 CB SER B 117 -3.198 13.831 -13.900 1.00 0.00 C ATOM 1782 OG SER B 117 -2.471 14.715 -13.062 1.00 0.00 O ATOM 0 H SER B 117 -1.424 15.016 -15.831 1.00 0.00 H new ATOM 0 HA SER B 117 -4.100 13.844 -15.899 1.00 0.00 H new ATOM 0 HB2 SER B 117 -4.178 13.639 -13.463 1.00 0.00 H new ATOM 0 HB3 SER B 117 -2.680 12.873 -13.954 1.00 0.00 H new ATOM 0 HG SER B 117 -1.548 14.785 -13.383 1.00 0.00 H new ATOM 1788 N GLU B 118 -5.182 15.987 -14.775 1.00 0.00 N ATOM 1789 CA GLU B 118 -5.755 17.279 -14.362 1.00 0.00 C ATOM 1790 C GLU B 118 -5.483 17.616 -12.878 1.00 0.00 C ATOM 1791 O GLU B 118 -6.073 18.550 -12.332 1.00 0.00 O ATOM 1792 CB GLU B 118 -7.263 17.340 -14.683 1.00 0.00 C ATOM 1793 CG GLU B 118 -8.180 16.461 -13.811 1.00 0.00 C ATOM 1794 CD GLU B 118 -8.373 15.064 -14.379 1.00 0.00 C ATOM 1795 OE1 GLU B 118 -7.427 14.247 -14.300 1.00 0.00 O ATOM 1796 OE2 GLU B 118 -9.481 14.773 -14.891 1.00 0.00 O ATOM 0 H GLU B 118 -5.841 15.211 -14.708 1.00 0.00 H new ATOM 0 HA GLU B 118 -5.245 18.046 -14.945 1.00 0.00 H new ATOM 0 HB2 GLU B 118 -7.591 18.375 -14.590 1.00 0.00 H new ATOM 0 HB3 GLU B 118 -7.403 17.053 -15.725 1.00 0.00 H new ATOM 0 HG2 GLU B 118 -7.757 16.385 -12.809 1.00 0.00 H new ATOM 0 HG3 GLU B 118 -9.152 16.945 -13.711 1.00 0.00 H new ATOM 1803 N HIS B 119 -4.636 16.855 -12.182 1.00 0.00 N ATOM 1804 CA HIS B 119 -4.403 17.023 -10.746 1.00 0.00 C ATOM 1805 C HIS B 119 -3.273 18.019 -10.424 1.00 0.00 C ATOM 1806 O HIS B 119 -2.411 18.334 -11.253 1.00 0.00 O ATOM 1807 CB HIS B 119 -4.136 15.647 -10.110 1.00 0.00 C ATOM 1808 CG HIS B 119 -5.317 14.714 -10.205 1.00 0.00 C ATOM 1809 ND1 HIS B 119 -6.526 14.867 -9.568 1.00 0.00 N ATOM 1810 CD2 HIS B 119 -5.402 13.567 -10.946 1.00 0.00 C ATOM 1811 CE1 HIS B 119 -7.319 13.849 -9.932 1.00 0.00 C ATOM 1812 NE2 HIS B 119 -6.688 13.035 -10.798 1.00 0.00 N ATOM 0 H HIS B 119 -4.090 16.102 -12.600 1.00 0.00 H new ATOM 0 HA HIS B 119 -5.304 17.459 -10.314 1.00 0.00 H new ATOM 0 HB2 HIS B 119 -3.277 15.188 -10.599 1.00 0.00 H new ATOM 0 HB3 HIS B 119 -3.871 15.783 -9.061 1.00 0.00 H new ATOM 0 HD2 HIS B 119 -4.609 13.143 -11.545 1.00 0.00 H new ATOM 0 HE1 HIS B 119 -8.329 13.702 -9.578 1.00 0.00 H new ATOM 0 HE2 HIS B 119 -7.068 12.204 -11.252 1.00 0.00 H new ATOM 1820 N SER B 120 -3.260 18.482 -9.177 1.00 0.00 N ATOM 1821 CA SER B 120 -2.081 19.035 -8.507 1.00 0.00 C ATOM 1822 C SER B 120 -1.092 17.902 -8.174 1.00 0.00 C ATOM 1823 O SER B 120 -1.497 16.802 -7.787 1.00 0.00 O ATOM 1824 CB SER B 120 -2.497 19.754 -7.210 1.00 0.00 C ATOM 1825 OG SER B 120 -3.509 20.723 -7.446 1.00 0.00 O ATOM 0 H SER B 120 -4.091 18.484 -8.586 1.00 0.00 H new ATOM 0 HA SER B 120 -1.601 19.752 -9.173 1.00 0.00 H new ATOM 0 HB2 SER B 120 -2.856 19.021 -6.487 1.00 0.00 H new ATOM 0 HB3 SER B 120 -1.626 20.238 -6.767 1.00 0.00 H new ATOM 0 HG SER B 120 -3.749 21.158 -6.601 1.00 0.00 H new ATOM 1831 N MET B 121 0.215 18.155 -8.285 1.00 0.00 N ATOM 1832 CA MET B 121 1.248 17.140 -8.019 1.00 0.00 C ATOM 1833 C MET B 121 1.317 16.741 -6.538 1.00 0.00 C ATOM 1834 O MET B 121 1.632 15.592 -6.242 1.00 0.00 O ATOM 1835 CB MET B 121 2.597 17.624 -8.578 1.00 0.00 C ATOM 1836 CG MET B 121 2.537 17.621 -10.116 1.00 0.00 C ATOM 1837 SD MET B 121 3.886 18.448 -10.995 1.00 0.00 S ATOM 1838 CE MET B 121 3.484 20.173 -10.633 1.00 0.00 C ATOM 0 H MET B 121 0.589 19.063 -8.560 1.00 0.00 H new ATOM 0 HA MET B 121 0.976 16.221 -8.538 1.00 0.00 H new ATOM 0 HB2 MET B 121 2.817 18.627 -8.213 1.00 0.00 H new ATOM 0 HB3 MET B 121 3.402 16.975 -8.232 1.00 0.00 H new ATOM 0 HG2 MET B 121 2.500 16.584 -10.451 1.00 0.00 H new ATOM 0 HG3 MET B 121 1.600 18.088 -10.419 1.00 0.00 H new ATOM 0 HE1 MET B 121 4.144 20.828 -11.202 1.00 0.00 H new ATOM 0 HE2 MET B 121 2.449 20.371 -10.910 1.00 0.00 H new ATOM 0 HE3 MET B 121 3.617 20.362 -9.568 1.00 0.00 H new ATOM 1848 N ASP B 122 0.913 17.627 -5.621 1.00 0.00 N ATOM 1849 CA ASP B 122 0.646 17.313 -4.208 1.00 0.00 C ATOM 1850 C ASP B 122 -0.425 16.219 -4.032 1.00 0.00 C ATOM 1851 O ASP B 122 -0.256 15.341 -3.188 1.00 0.00 O ATOM 1852 CB ASP B 122 0.213 18.605 -3.495 1.00 0.00 C ATOM 1853 CG ASP B 122 -0.185 18.383 -2.030 1.00 0.00 C ATOM 1854 OD1 ASP B 122 0.720 18.316 -1.160 1.00 0.00 O ATOM 1855 OD2 ASP B 122 -1.406 18.331 -1.741 1.00 0.00 O ATOM 0 H ASP B 122 0.758 18.610 -5.845 1.00 0.00 H new ATOM 0 HA ASP B 122 1.561 16.917 -3.768 1.00 0.00 H new ATOM 0 HB2 ASP B 122 1.029 19.327 -3.538 1.00 0.00 H new ATOM 0 HB3 ASP B 122 -0.629 19.043 -4.031 1.00 0.00 H new ATOM 1860 N THR B 123 -1.499 16.239 -4.837 1.00 0.00 N ATOM 1861 CA THR B 123 -2.595 15.255 -4.787 1.00 0.00 C ATOM 1862 C THR B 123 -2.123 13.893 -5.282 1.00 0.00 C ATOM 1863 O THR B 123 -2.433 12.868 -4.672 1.00 0.00 O ATOM 1864 CB THR B 123 -3.785 15.725 -5.633 1.00 0.00 C ATOM 1865 OG1 THR B 123 -4.105 17.068 -5.348 1.00 0.00 O ATOM 1866 CG2 THR B 123 -5.041 14.893 -5.382 1.00 0.00 C ATOM 0 H THR B 123 -1.634 16.952 -5.554 1.00 0.00 H new ATOM 0 HA THR B 123 -2.912 15.163 -3.748 1.00 0.00 H new ATOM 0 HB THR B 123 -3.476 15.610 -6.672 1.00 0.00 H new ATOM 0 HG1 THR B 123 -4.865 17.347 -5.900 1.00 0.00 H new ATOM 0 HG21 THR B 123 -5.855 15.265 -6.004 1.00 0.00 H new ATOM 0 HG22 THR B 123 -4.842 13.850 -5.630 1.00 0.00 H new ATOM 0 HG23 THR B 123 -5.324 14.969 -4.332 1.00 0.00 H new ATOM 1874 N LEU B 124 -1.340 13.883 -6.366 1.00 0.00 N ATOM 1875 CA LEU B 124 -0.692 12.676 -6.891 1.00 0.00 C ATOM 1876 C LEU B 124 0.273 12.077 -5.859 1.00 0.00 C ATOM 1877 O LEU B 124 0.155 10.897 -5.534 1.00 0.00 O ATOM 1878 CB LEU B 124 0.042 13.006 -8.205 1.00 0.00 C ATOM 1879 CG LEU B 124 -0.853 13.473 -9.370 1.00 0.00 C ATOM 1880 CD1 LEU B 124 0.036 13.841 -10.565 1.00 0.00 C ATOM 1881 CD2 LEU B 124 -1.863 12.397 -9.796 1.00 0.00 C ATOM 0 H LEU B 124 -1.136 14.722 -6.909 1.00 0.00 H new ATOM 0 HA LEU B 124 -1.459 11.929 -7.096 1.00 0.00 H new ATOM 0 HB2 LEU B 124 0.779 13.783 -8.003 1.00 0.00 H new ATOM 0 HB3 LEU B 124 0.592 12.121 -8.525 1.00 0.00 H new ATOM 0 HG LEU B 124 -1.422 14.338 -9.030 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -0.588 14.173 -11.395 1.00 0.00 H new ATOM 0 HD12 LEU B 124 0.716 14.644 -10.279 1.00 0.00 H new ATOM 0 HD13 LEU B 124 0.613 12.969 -10.872 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -2.470 12.773 -10.619 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -1.328 11.503 -10.118 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -2.508 12.149 -8.953 1.00 0.00 H new ATOM 1893 N LEU B 125 1.178 12.891 -5.304 1.00 0.00 N ATOM 1894 CA LEU B 125 2.149 12.473 -4.287 1.00 0.00 C ATOM 1895 C LEU B 125 1.453 11.927 -3.034 1.00 0.00 C ATOM 1896 O LEU B 125 1.811 10.854 -2.560 1.00 0.00 O ATOM 1897 CB LEU B 125 3.073 13.670 -3.982 1.00 0.00 C ATOM 1898 CG LEU B 125 4.213 13.393 -2.981 1.00 0.00 C ATOM 1899 CD1 LEU B 125 5.104 12.211 -3.393 1.00 0.00 C ATOM 1900 CD2 LEU B 125 5.078 14.653 -2.841 1.00 0.00 C ATOM 0 H LEU B 125 1.257 13.877 -5.554 1.00 0.00 H new ATOM 0 HA LEU B 125 2.754 11.648 -4.663 1.00 0.00 H new ATOM 0 HB2 LEU B 125 3.512 14.015 -4.918 1.00 0.00 H new ATOM 0 HB3 LEU B 125 2.464 14.487 -3.595 1.00 0.00 H new ATOM 0 HG LEU B 125 3.748 13.127 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU B 125 5.886 12.068 -2.648 1.00 0.00 H new ATOM 0 HD12 LEU B 125 4.500 11.307 -3.463 1.00 0.00 H new ATOM 0 HD13 LEU B 125 5.559 12.419 -4.361 1.00 0.00 H new ATOM 0 HD21 LEU B 125 5.886 14.463 -2.134 1.00 0.00 H new ATOM 0 HD22 LEU B 125 5.499 14.915 -3.812 1.00 0.00 H new ATOM 0 HD23 LEU B 125 4.464 15.477 -2.477 1.00 0.00 H new ATOM 1912 N ALA B 126 0.421 12.608 -2.532 1.00 0.00 N ATOM 1913 CA ALA B 126 -0.374 12.155 -1.390 1.00 0.00 C ATOM 1914 C ALA B 126 -1.104 10.825 -1.642 1.00 0.00 C ATOM 1915 O ALA B 126 -1.203 10.005 -0.722 1.00 0.00 O ATOM 1916 CB ALA B 126 -1.366 13.268 -1.052 1.00 0.00 C ATOM 0 H ALA B 126 0.110 13.502 -2.913 1.00 0.00 H new ATOM 0 HA ALA B 126 0.297 11.955 -0.554 1.00 0.00 H new ATOM 0 HB1 ALA B 126 -1.978 12.964 -0.202 1.00 0.00 H new ATOM 0 HB2 ALA B 126 -0.821 14.177 -0.800 1.00 0.00 H new ATOM 0 HB3 ALA B 126 -2.008 13.457 -1.912 1.00 0.00 H new ATOM 1922 N THR B 127 -1.587 10.603 -2.874 1.00 0.00 N ATOM 1923 CA THR B 127 -2.255 9.360 -3.297 1.00 0.00 C ATOM 1924 C THR B 127 -1.257 8.209 -3.383 1.00 0.00 C ATOM 1925 O THR B 127 -1.552 7.122 -2.898 1.00 0.00 O ATOM 1926 CB THR B 127 -2.999 9.569 -4.623 1.00 0.00 C ATOM 1927 OG1 THR B 127 -3.956 10.587 -4.437 1.00 0.00 O ATOM 1928 CG2 THR B 127 -3.760 8.321 -5.074 1.00 0.00 C ATOM 0 H THR B 127 -1.523 11.296 -3.620 1.00 0.00 H new ATOM 0 HA THR B 127 -2.996 9.092 -2.544 1.00 0.00 H new ATOM 0 HB THR B 127 -2.254 9.817 -5.379 1.00 0.00 H new ATOM 0 HG1 THR B 127 -3.522 11.462 -4.515 1.00 0.00 H new ATOM 0 HG21 THR B 127 -4.268 8.525 -6.017 1.00 0.00 H new ATOM 0 HG22 THR B 127 -3.060 7.497 -5.210 1.00 0.00 H new ATOM 0 HG23 THR B 127 -4.496 8.050 -4.317 1.00 0.00 H new ATOM 1936 N LEU B 128 -0.057 8.440 -3.928 1.00 0.00 N ATOM 1937 CA LEU B 128 1.026 7.449 -3.932 1.00 0.00 C ATOM 1938 C LEU B 128 1.481 7.108 -2.505 1.00 0.00 C ATOM 1939 O LEU B 128 1.645 5.933 -2.173 1.00 0.00 O ATOM 1940 CB LEU B 128 2.198 7.984 -4.780 1.00 0.00 C ATOM 1941 CG LEU B 128 1.919 8.073 -6.297 1.00 0.00 C ATOM 1942 CD1 LEU B 128 3.036 8.876 -6.980 1.00 0.00 C ATOM 1943 CD2 LEU B 128 1.821 6.681 -6.943 1.00 0.00 C ATOM 0 H LEU B 128 0.191 9.320 -4.379 1.00 0.00 H new ATOM 0 HA LEU B 128 0.658 6.523 -4.374 1.00 0.00 H new ATOM 0 HB2 LEU B 128 2.467 8.976 -4.416 1.00 0.00 H new ATOM 0 HB3 LEU B 128 3.064 7.341 -4.622 1.00 0.00 H new ATOM 0 HG LEU B 128 0.960 8.573 -6.430 1.00 0.00 H new ATOM 0 HD11 LEU B 128 2.838 8.938 -8.050 1.00 0.00 H new ATOM 0 HD12 LEU B 128 3.071 9.881 -6.559 1.00 0.00 H new ATOM 0 HD13 LEU B 128 3.993 8.380 -6.816 1.00 0.00 H new ATOM 0 HD21 LEU B 128 1.624 6.788 -8.010 1.00 0.00 H new ATOM 0 HD22 LEU B 128 2.760 6.146 -6.799 1.00 0.00 H new ATOM 0 HD23 LEU B 128 1.009 6.121 -6.479 1.00 0.00 H new ATOM 1955 N LYS B 129 1.640 8.107 -1.631 1.00 0.00 N ATOM 1956 CA LYS B 129 2.107 7.924 -0.249 1.00 0.00 C ATOM 1957 C LYS B 129 1.197 7.032 0.616 1.00 0.00 C ATOM 1958 O LYS B 129 1.717 6.408 1.544 1.00 0.00 O ATOM 1959 CB LYS B 129 2.341 9.299 0.403 1.00 0.00 C ATOM 1960 CG LYS B 129 3.654 9.939 -0.089 1.00 0.00 C ATOM 1961 CD LYS B 129 3.762 11.421 0.295 1.00 0.00 C ATOM 1962 CE LYS B 129 3.903 11.625 1.806 1.00 0.00 C ATOM 1963 NZ LYS B 129 3.839 13.060 2.168 1.00 0.00 N ATOM 0 H LYS B 129 1.446 9.081 -1.865 1.00 0.00 H new ATOM 0 HA LYS B 129 3.049 7.378 -0.305 1.00 0.00 H new ATOM 0 HB2 LYS B 129 1.505 9.959 0.174 1.00 0.00 H new ATOM 0 HB3 LYS B 129 2.372 9.189 1.487 1.00 0.00 H new ATOM 0 HG2 LYS B 129 4.500 9.395 0.331 1.00 0.00 H new ATOM 0 HG3 LYS B 129 3.719 9.842 -1.173 1.00 0.00 H new ATOM 0 HD2 LYS B 129 4.621 11.862 -0.210 1.00 0.00 H new ATOM 0 HD3 LYS B 129 2.877 11.950 -0.059 1.00 0.00 H new ATOM 0 HE2 LYS B 129 3.111 11.083 2.323 1.00 0.00 H new ATOM 0 HE3 LYS B 129 4.850 11.205 2.144 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 3.938 13.163 3.198 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 4.610 13.572 1.693 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 2.925 13.454 1.867 1.00 0.00 H new ATOM 1977 N LYS B 130 -0.098 6.874 0.285 1.00 0.00 N ATOM 1978 CA LYS B 130 -1.015 5.907 0.933 1.00 0.00 C ATOM 1979 C LYS B 130 -0.389 4.507 1.067 1.00 0.00 C ATOM 1980 O LYS B 130 -0.487 3.897 2.129 1.00 0.00 O ATOM 1981 CB LYS B 130 -2.323 5.779 0.123 1.00 0.00 C ATOM 1982 CG LYS B 130 -3.243 7.009 0.183 1.00 0.00 C ATOM 1983 CD LYS B 130 -4.342 6.958 -0.894 1.00 0.00 C ATOM 1984 CE LYS B 130 -5.331 5.788 -0.774 1.00 0.00 C ATOM 1985 NZ LYS B 130 -6.412 6.044 0.206 1.00 0.00 N ATOM 0 H LYS B 130 -0.547 7.420 -0.450 1.00 0.00 H new ATOM 0 HA LYS B 130 -1.218 6.295 1.931 1.00 0.00 H new ATOM 0 HB2 LYS B 130 -2.070 5.582 -0.919 1.00 0.00 H new ATOM 0 HB3 LYS B 130 -2.875 4.912 0.486 1.00 0.00 H new ATOM 0 HG2 LYS B 130 -3.704 7.070 1.169 1.00 0.00 H new ATOM 0 HG3 LYS B 130 -2.649 7.913 0.053 1.00 0.00 H new ATOM 0 HD2 LYS B 130 -4.904 7.891 -0.859 1.00 0.00 H new ATOM 0 HD3 LYS B 130 -3.865 6.909 -1.873 1.00 0.00 H new ATOM 0 HE2 LYS B 130 -5.773 5.591 -1.751 1.00 0.00 H new ATOM 0 HE3 LYS B 130 -4.788 4.889 -0.482 1.00 0.00 H new ATOM 0 HZ1 LYS B 130 -7.048 5.222 0.244 1.00 0.00 H new ATOM 0 HZ2 LYS B 130 -5.997 6.205 1.146 1.00 0.00 H new ATOM 0 HZ3 LYS B 130 -6.951 6.885 -0.083 1.00 0.00 H new ATOM 1999 N THR B 131 0.325 4.061 0.021 1.00 0.00 N ATOM 2000 CA THR B 131 0.955 2.733 -0.130 1.00 0.00 C ATOM 2001 C THR B 131 2.040 2.389 0.898 1.00 0.00 C ATOM 2002 O THR B 131 2.602 1.303 0.818 1.00 0.00 O ATOM 2003 CB THR B 131 1.532 2.571 -1.545 1.00 0.00 C ATOM 2004 OG1 THR B 131 2.591 3.482 -1.730 1.00 0.00 O ATOM 2005 CG2 THR B 131 0.502 2.778 -2.659 1.00 0.00 C ATOM 0 H THR B 131 0.490 4.652 -0.794 1.00 0.00 H new ATOM 0 HA THR B 131 0.143 2.029 0.053 1.00 0.00 H new ATOM 0 HB THR B 131 1.877 1.540 -1.617 1.00 0.00 H new ATOM 0 HG1 THR B 131 2.228 4.383 -1.861 1.00 0.00 H new ATOM 0 HG21 THR B 131 0.983 2.648 -3.628 1.00 0.00 H new ATOM 0 HG22 THR B 131 -0.301 2.049 -2.552 1.00 0.00 H new ATOM 0 HG23 THR B 131 0.090 3.785 -2.591 1.00 0.00 H new ATOM 2013 N GLY B 132 2.381 3.299 1.819 1.00 0.00 N ATOM 2014 CA GLY B 132 3.369 3.111 2.894 1.00 0.00 C ATOM 2015 C GLY B 132 4.818 2.962 2.417 1.00 0.00 C ATOM 2016 O GLY B 132 5.715 2.740 3.233 1.00 0.00 O ATOM 0 H GLY B 132 1.959 4.227 1.838 1.00 0.00 H new ATOM 0 HA2 GLY B 132 3.311 3.961 3.574 1.00 0.00 H new ATOM 0 HA3 GLY B 132 3.097 2.225 3.467 1.00 0.00 H new ATOM 2020 N LYS B 133 5.072 3.187 1.124 1.00 0.00 N ATOM 2021 CA LYS B 133 6.403 3.228 0.511 1.00 0.00 C ATOM 2022 C LYS B 133 7.116 4.569 0.767 1.00 0.00 C ATOM 2023 O LYS B 133 6.477 5.545 1.185 1.00 0.00 O ATOM 2024 CB LYS B 133 6.263 2.951 -1.001 1.00 0.00 C ATOM 2025 CG LYS B 133 5.553 1.640 -1.384 1.00 0.00 C ATOM 2026 CD LYS B 133 6.109 0.366 -0.727 1.00 0.00 C ATOM 2027 CE LYS B 133 5.401 -0.830 -1.372 1.00 0.00 C ATOM 2028 NZ LYS B 133 5.795 -2.128 -0.771 1.00 0.00 N ATOM 0 H LYS B 133 4.326 3.352 0.449 1.00 0.00 H new ATOM 0 HA LYS B 133 7.024 2.459 0.969 1.00 0.00 H new ATOM 0 HB2 LYS B 133 5.720 3.781 -1.453 1.00 0.00 H new ATOM 0 HB3 LYS B 133 7.259 2.944 -1.443 1.00 0.00 H new ATOM 0 HG2 LYS B 133 4.498 1.730 -1.125 1.00 0.00 H new ATOM 0 HG3 LYS B 133 5.606 1.522 -2.466 1.00 0.00 H new ATOM 0 HD2 LYS B 133 7.187 0.298 -0.873 1.00 0.00 H new ATOM 0 HD3 LYS B 133 5.934 0.381 0.349 1.00 0.00 H new ATOM 0 HE2 LYS B 133 4.323 -0.703 -1.275 1.00 0.00 H new ATOM 0 HE3 LYS B 133 5.625 -0.846 -2.439 1.00 0.00 H new ATOM 0 HZ1 LYS B 133 5.236 -2.893 -1.200 1.00 0.00 H new ATOM 0 HZ2 LYS B 133 6.806 -2.299 -0.945 1.00 0.00 H new ATOM 0 HZ3 LYS B 133 5.620 -2.103 0.254 1.00 0.00 H new ATOM 2042 N THR B 134 8.422 4.618 0.473 1.00 0.00 N ATOM 2043 CA THR B 134 9.267 5.821 0.551 1.00 0.00 C ATOM 2044 C THR B 134 9.284 6.474 -0.830 1.00 0.00 C ATOM 2045 O THR B 134 10.092 6.117 -1.693 1.00 0.00 O ATOM 2046 CB THR B 134 10.666 5.458 1.060 1.00 0.00 C ATOM 2047 OG1 THR B 134 10.555 4.852 2.331 1.00 0.00 O ATOM 2048 CG2 THR B 134 11.542 6.696 1.232 1.00 0.00 C ATOM 0 H THR B 134 8.938 3.795 0.164 1.00 0.00 H new ATOM 0 HA THR B 134 8.866 6.539 1.267 1.00 0.00 H new ATOM 0 HB THR B 134 11.117 4.790 0.326 1.00 0.00 H new ATOM 0 HG1 THR B 134 11.447 4.616 2.660 1.00 0.00 H new ATOM 0 HG21 THR B 134 12.526 6.398 1.594 1.00 0.00 H new ATOM 0 HG22 THR B 134 11.647 7.204 0.273 1.00 0.00 H new ATOM 0 HG23 THR B 134 11.080 7.372 1.952 1.00 0.00 H new ATOM 2056 N VAL B 135 8.339 7.387 -1.041 1.00 0.00 N ATOM 2057 CA VAL B 135 7.998 8.013 -2.331 1.00 0.00 C ATOM 2058 C VAL B 135 8.786 9.314 -2.535 1.00 0.00 C ATOM 2059 O VAL B 135 9.049 10.047 -1.583 1.00 0.00 O ATOM 2060 CB VAL B 135 6.475 8.312 -2.434 1.00 0.00 C ATOM 2061 CG1 VAL B 135 6.048 8.696 -3.864 1.00 0.00 C ATOM 2062 CG2 VAL B 135 5.602 7.122 -1.986 1.00 0.00 C ATOM 0 H VAL B 135 7.755 7.734 -0.280 1.00 0.00 H new ATOM 0 HA VAL B 135 8.269 7.302 -3.112 1.00 0.00 H new ATOM 0 HB VAL B 135 6.315 9.154 -1.761 1.00 0.00 H new ATOM 0 HG11 VAL B 135 4.976 8.895 -3.883 1.00 0.00 H new ATOM 0 HG12 VAL B 135 6.588 9.589 -4.178 1.00 0.00 H new ATOM 0 HG13 VAL B 135 6.277 7.876 -4.545 1.00 0.00 H new ATOM 0 HG21 VAL B 135 4.549 7.388 -2.079 1.00 0.00 H new ATOM 0 HG22 VAL B 135 5.815 6.257 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL B 135 5.824 6.879 -0.947 1.00 0.00 H new ATOM 2072 N SER B 136 9.124 9.630 -3.787 1.00 0.00 N ATOM 2073 CA SER B 136 9.688 10.925 -4.184 1.00 0.00 C ATOM 2074 C SER B 136 9.016 11.488 -5.447 1.00 0.00 C ATOM 2075 O SER B 136 8.667 10.760 -6.379 1.00 0.00 O ATOM 2076 CB SER B 136 11.216 10.836 -4.359 1.00 0.00 C ATOM 2077 OG SER B 136 11.632 9.779 -5.212 1.00 0.00 O ATOM 0 H SER B 136 9.012 8.983 -4.568 1.00 0.00 H new ATOM 0 HA SER B 136 9.480 11.625 -3.374 1.00 0.00 H new ATOM 0 HB2 SER B 136 11.583 11.781 -4.760 1.00 0.00 H new ATOM 0 HB3 SER B 136 11.678 10.705 -3.380 1.00 0.00 H new ATOM 0 HG SER B 136 12.610 9.780 -5.281 1.00 0.00 H new ATOM 2083 N TYR B 137 8.839 12.811 -5.476 1.00 0.00 N ATOM 2084 CA TYR B 137 8.374 13.576 -6.636 1.00 0.00 C ATOM 2085 C TYR B 137 9.572 14.127 -7.424 1.00 0.00 C ATOM 2086 O TYR B 137 10.427 14.811 -6.852 1.00 0.00 O ATOM 2087 CB TYR B 137 7.461 14.709 -6.142 1.00 0.00 C ATOM 2088 CG TYR B 137 7.261 15.846 -7.128 1.00 0.00 C ATOM 2089 CD1 TYR B 137 6.640 15.608 -8.369 1.00 0.00 C ATOM 2090 CD2 TYR B 137 7.730 17.138 -6.817 1.00 0.00 C ATOM 2091 CE1 TYR B 137 6.448 16.661 -9.280 1.00 0.00 C ATOM 2092 CE2 TYR B 137 7.558 18.195 -7.730 1.00 0.00 C ATOM 2093 CZ TYR B 137 6.902 17.960 -8.958 1.00 0.00 C ATOM 2094 OH TYR B 137 6.717 18.982 -9.834 1.00 0.00 O ATOM 0 H TYR B 137 9.022 13.400 -4.664 1.00 0.00 H new ATOM 0 HA TYR B 137 7.809 12.932 -7.310 1.00 0.00 H new ATOM 0 HB2 TYR B 137 6.487 14.288 -5.893 1.00 0.00 H new ATOM 0 HB3 TYR B 137 7.878 15.116 -5.221 1.00 0.00 H new ATOM 0 HD1 TYR B 137 6.310 14.611 -8.622 1.00 0.00 H new ATOM 0 HD2 TYR B 137 8.224 17.318 -5.873 1.00 0.00 H new ATOM 0 HE1 TYR B 137 5.955 16.478 -10.223 1.00 0.00 H new ATOM 0 HE2 TYR B 137 7.926 19.182 -7.492 1.00 0.00 H new ATOM 0 HH TYR B 137 5.914 18.812 -10.370 1.00 0.00 H new ATOM 2104 N LEU B 138 9.619 13.852 -8.733 1.00 0.00 N ATOM 2105 CA LEU B 138 10.750 14.169 -9.611 1.00 0.00 C ATOM 2106 C LEU B 138 10.313 15.074 -10.776 1.00 0.00 C ATOM 2107 O LEU B 138 10.626 14.822 -11.943 1.00 0.00 O ATOM 2108 CB LEU B 138 11.385 12.844 -10.090 1.00 0.00 C ATOM 2109 CG LEU B 138 11.900 11.908 -8.977 1.00 0.00 C ATOM 2110 CD1 LEU B 138 12.429 10.619 -9.619 1.00 0.00 C ATOM 2111 CD2 LEU B 138 13.013 12.566 -8.144 1.00 0.00 C ATOM 0 H LEU B 138 8.852 13.391 -9.223 1.00 0.00 H new ATOM 0 HA LEU B 138 11.503 14.736 -9.064 1.00 0.00 H new ATOM 0 HB2 LEU B 138 10.648 12.302 -10.682 1.00 0.00 H new ATOM 0 HB3 LEU B 138 12.216 13.080 -10.754 1.00 0.00 H new ATOM 0 HG LEU B 138 11.072 11.689 -8.303 1.00 0.00 H new ATOM 0 HD11 LEU B 138 12.796 9.949 -8.841 1.00 0.00 H new ATOM 0 HD12 LEU B 138 11.625 10.130 -10.169 1.00 0.00 H new ATOM 0 HD13 LEU B 138 13.242 10.861 -10.303 1.00 0.00 H new ATOM 0 HD21 LEU B 138 13.347 11.873 -7.372 1.00 0.00 H new ATOM 0 HD22 LEU B 138 13.852 12.819 -8.793 1.00 0.00 H new ATOM 0 HD23 LEU B 138 12.630 13.473 -7.677 1.00 0.00 H new ATOM 2123 N GLY B 139 9.673 16.193 -10.430 1.00 0.00 N ATOM 2124 CA GLY B 139 9.509 17.359 -11.299 1.00 0.00 C ATOM 2125 C GLY B 139 8.276 17.379 -12.206 1.00 0.00 C ATOM 2126 O GLY B 139 7.580 16.382 -12.428 1.00 0.00 O ATOM 0 H GLY B 139 9.243 16.316 -9.513 1.00 0.00 H new ATOM 0 HA2 GLY B 139 9.482 18.249 -10.671 1.00 0.00 H new ATOM 0 HA3 GLY B 139 10.395 17.440 -11.929 1.00 0.00 H new ATOM 2130 N LEU B 140 8.029 18.579 -12.738 1.00 0.00 N ATOM 2131 CA LEU B 140 7.135 18.836 -13.865 1.00 0.00 C ATOM 2132 C LEU B 140 7.909 18.562 -15.163 1.00 0.00 C ATOM 2133 O LEU B 140 9.001 19.105 -15.356 1.00 0.00 O ATOM 2134 CB LEU B 140 6.653 20.299 -13.774 1.00 0.00 C ATOM 2135 CG LEU B 140 5.625 20.691 -14.854 1.00 0.00 C ATOM 2136 CD1 LEU B 140 4.239 20.090 -14.568 1.00 0.00 C ATOM 2137 CD2 LEU B 140 5.508 22.218 -14.926 1.00 0.00 C ATOM 0 H LEU B 140 8.464 19.429 -12.380 1.00 0.00 H new ATOM 0 HA LEU B 140 6.259 18.188 -13.849 1.00 0.00 H new ATOM 0 HB2 LEU B 140 6.212 20.465 -12.791 1.00 0.00 H new ATOM 0 HB3 LEU B 140 7.516 20.960 -13.852 1.00 0.00 H new ATOM 0 HG LEU B 140 5.977 20.293 -15.806 1.00 0.00 H new ATOM 0 HD11 LEU B 140 3.544 20.390 -15.352 1.00 0.00 H new ATOM 0 HD12 LEU B 140 4.312 19.003 -14.544 1.00 0.00 H new ATOM 0 HD13 LEU B 140 3.878 20.451 -13.605 1.00 0.00 H new ATOM 0 HD21 LEU B 140 4.781 22.492 -15.690 1.00 0.00 H new ATOM 0 HD22 LEU B 140 5.182 22.604 -13.960 1.00 0.00 H new ATOM 0 HD23 LEU B 140 6.478 22.646 -15.179 1.00 0.00 H new ATOM 2149 N GLU B 141 7.355 17.723 -16.041 1.00 0.00 N ATOM 2150 CA GLU B 141 8.067 17.175 -17.210 1.00 0.00 C ATOM 2151 C GLU B 141 8.333 18.220 -18.302 1.00 0.00 C ATOM 2152 O GLU B 141 7.399 18.966 -18.686 1.00 0.00 O ATOM 2153 CB GLU B 141 7.312 15.950 -17.758 1.00 0.00 C ATOM 2154 CG GLU B 141 8.230 15.030 -18.574 1.00 0.00 C ATOM 2155 CD GLU B 141 7.462 13.979 -19.388 1.00 0.00 C ATOM 2156 OE1 GLU B 141 6.944 12.990 -18.811 1.00 0.00 O ATOM 2157 OE2 GLU B 141 7.407 14.109 -20.637 1.00 0.00 O ATOM 2158 OXT GLU B 141 9.501 18.301 -18.743 1.00 0.00 O ATOM 0 H GLU B 141 6.391 17.399 -15.965 1.00 0.00 H new ATOM 0 HA GLU B 141 9.053 16.858 -16.871 1.00 0.00 H new ATOM 0 HB2 GLU B 141 6.880 15.389 -16.929 1.00 0.00 H new ATOM 0 HB3 GLU B 141 6.484 16.284 -18.383 1.00 0.00 H new ATOM 0 HG2 GLU B 141 8.832 15.636 -19.251 1.00 0.00 H new ATOM 0 HG3 GLU B 141 8.920 14.524 -17.899 1.00 0.00 H new