USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 677 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 ASN : amide:sc= -3.33! C(o=-8.8!,f=-15!) USER MOD Set 1.2: A 90 HIS : no HE2:sc= -5.48! C(o=-8.8!,f=-13!) USER MOD Set 2.1: A 19 HIS :FLIP no HD1:sc= -10.8! C(o=-13!,f=-12!) USER MOD Set 2.2: A 71 TYR OH : rot 15:sc= -1.32 USER MOD Set 3.1: A 32 THR OG1 : rot -100:sc= -1.53 USER MOD Set 3.2: A 89 GLN : amide:sc= -3.23! C(o=-4.8!,f=-5.6!) USER MOD Set 4.1: A 10 MET CE :methyl -152:sc= -0.454 (180deg=-2.51) USER MOD Set 4.2: A 70 MET CE :methyl 145:sc= -3.62! (180deg=-4.02!) USER MOD Set 5.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 9 GLN :FLIP amide:sc= -0.194 F(o=-1.4,f=-0.19) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= 0.0154 (180deg=-0.349) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0662 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot -13:sc= 0.621 USER MOD Single : A 7 SER OG : rot -179:sc= -6.24! USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0703 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.927 F(o=-1.6!,f=-0.93) USER MOD Single : A 33 GLN :FLIP amide:sc= 0 F(o=-1.8,f=0) USER MOD Single : A 36 SER OG : rot 180:sc=-0.00554 USER MOD Single : A 38 HIS :FLIP no HD1:sc= -1.3 F(o=-1.8!,f=-1.3) USER MOD Single : A 42 ASN : amide:sc= -4.4 K(o=-4.4,f=-13!) USER MOD Single : A 43 LYS NZ :NH3+ -127:sc= 1.36 (180deg=-0.357) USER MOD Single : A 46 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.039) USER MOD Single : A 49 SER OG : rot 170:sc= -2.25! USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -94:sc= -1.51! USER MOD Single : A 60 ASN : amide:sc= -0.318 K(o=-0.32,f=-3.4!) USER MOD Single : A 64 SER OG : rot -128:sc= 0.703 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0881 USER MOD Single : A 67 SER OG : rot -110:sc= -4.3! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0.813 K(o=0.81,f=-0.96) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 22:sc= 0.478 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.465 X(o=-0.47,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.069 -4.792 -8.993 1.00 0.00 N ATOM 2 CA MET A 1 4.994 -5.050 -7.999 1.00 0.00 C ATOM 3 C MET A 1 3.625 -5.109 -8.676 1.00 0.00 C ATOM 4 O MET A 1 3.029 -6.179 -8.799 1.00 0.00 O ATOM 5 CB MET A 1 5.029 -3.939 -6.940 1.00 0.00 C ATOM 6 CG MET A 1 6.435 -3.555 -6.505 1.00 0.00 C ATOM 7 SD MET A 1 7.405 -4.970 -5.950 1.00 0.00 S ATOM 8 CE MET A 1 9.045 -4.253 -5.884 1.00 0.00 C ATOM 0 H1 MET A 1 6.989 -5.054 -8.585 1.00 0.00 H new ATOM 0 H2 MET A 1 5.895 -5.359 -9.847 1.00 0.00 H new ATOM 0 H3 MET A 1 6.076 -3.783 -9.243 1.00 0.00 H new ATOM 0 HA MET A 1 5.163 -6.017 -7.524 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.526 -3.056 -7.335 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.464 -4.264 -6.066 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.948 -3.072 -7.336 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.374 -2.823 -5.699 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.759 -5.008 -5.556 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.325 -3.894 -6.874 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.050 -3.420 -5.182 1.00 0.00 H new ATOM 20 N THR A 2 3.136 -3.953 -9.120 1.00 0.00 N ATOM 21 CA THR A 2 1.841 -3.863 -9.798 1.00 0.00 C ATOM 22 C THR A 2 0.669 -3.960 -8.823 1.00 0.00 C ATOM 23 O THR A 2 -0.485 -3.809 -9.219 1.00 0.00 O ATOM 24 CB THR A 2 1.718 -4.947 -10.871 1.00 0.00 C ATOM 25 OG1 THR A 2 2.947 -5.122 -11.552 1.00 0.00 O ATOM 26 CG2 THR A 2 0.658 -4.645 -11.908 1.00 0.00 C ATOM 0 H THR A 2 3.619 -3.060 -9.022 1.00 0.00 H new ATOM 0 HA THR A 2 1.798 -2.881 -10.269 1.00 0.00 H new ATOM 0 HB THR A 2 1.432 -5.852 -10.335 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.847 -5.820 -12.232 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.623 -5.453 -12.639 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.313 -4.554 -11.420 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.899 -3.710 -12.413 1.00 0.00 H new ATOM 31 N LEU A 3 0.973 -4.200 -7.552 1.00 0.00 N ATOM 32 CA LEU A 3 -0.049 -4.307 -6.507 1.00 0.00 C ATOM 33 C LEU A 3 -1.249 -5.141 -6.956 1.00 0.00 C ATOM 34 O LEU A 3 -2.061 -4.696 -7.766 1.00 0.00 O ATOM 35 CB LEU A 3 -0.520 -2.914 -6.083 1.00 0.00 C ATOM 36 CG LEU A 3 -1.683 -2.894 -5.085 1.00 0.00 C ATOM 37 CD1 LEU A 3 -1.680 -1.605 -4.278 1.00 0.00 C ATOM 38 CD2 LEU A 3 -3.008 -3.058 -5.809 1.00 0.00 C ATOM 0 H LEU A 3 1.927 -4.326 -7.215 1.00 0.00 H new ATOM 0 HA LEU A 3 0.410 -4.815 -5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.323 -2.381 -5.644 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.818 -2.362 -6.974 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.555 -3.730 -4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.514 -1.613 -3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.743 -1.523 -3.727 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.781 -0.754 -4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.823 -3.042 -5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.138 -2.242 -6.520 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.016 -4.008 -6.342 1.00 0.00 H new ATOM 44 N ASN A 4 -1.372 -6.342 -6.405 1.00 0.00 N ATOM 45 CA ASN A 4 -2.490 -7.213 -6.738 1.00 0.00 C ATOM 46 C ASN A 4 -3.704 -6.861 -5.881 1.00 0.00 C ATOM 47 O ASN A 4 -3.575 -6.207 -4.843 1.00 0.00 O ATOM 48 CB ASN A 4 -2.112 -8.680 -6.545 1.00 0.00 C ATOM 49 CG ASN A 4 -0.799 -9.033 -7.217 1.00 0.00 C ATOM 50 OD1 ASN A 4 0.168 -9.414 -6.556 1.00 0.00 O ATOM 51 ND2 ASN A 4 -0.757 -8.906 -8.539 1.00 0.00 N ATOM 0 H ASN A 4 -0.715 -6.733 -5.730 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.743 -7.062 -7.788 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.041 -8.897 -5.479 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -2.904 -9.312 -6.947 1.00 0.00 H new ATOM 0 HD21 ASN A 4 0.100 -9.128 -9.046 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -1.582 -8.587 -9.047 1.00 0.00 H new ATOM 56 N ILE A 5 -4.882 -7.278 -6.326 1.00 0.00 N ATOM 57 CA ILE A 5 -6.107 -6.977 -5.598 1.00 0.00 C ATOM 58 C ILE A 5 -7.057 -8.170 -5.555 1.00 0.00 C ATOM 59 O ILE A 5 -6.964 -9.086 -6.372 1.00 0.00 O ATOM 60 CB ILE A 5 -6.826 -5.772 -6.227 1.00 0.00 C ATOM 61 CG1 ILE A 5 -5.844 -4.612 -6.392 1.00 0.00 C ATOM 62 CG2 ILE A 5 -8.003 -5.349 -5.369 1.00 0.00 C ATOM 63 CD1 ILE A 5 -5.168 -4.564 -7.742 1.00 0.00 C ATOM 0 H ILE A 5 -5.015 -7.821 -7.179 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.817 -6.739 -4.575 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.204 -6.060 -7.208 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.375 -3.674 -6.230 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.080 -4.683 -5.617 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.500 -4.495 -5.829 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.707 -6.177 -5.284 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.648 -5.071 -4.376 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.488 -3.713 -7.778 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.606 -5.485 -7.901 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.921 -4.460 -8.523 1.00 0.00 H new ATOM 67 N THR A 6 -7.969 -8.148 -4.584 1.00 0.00 N ATOM 68 CA THR A 6 -8.940 -9.223 -4.417 1.00 0.00 C ATOM 69 C THR A 6 -10.086 -8.786 -3.506 1.00 0.00 C ATOM 70 O THR A 6 -10.001 -8.913 -2.285 1.00 0.00 O ATOM 71 CB THR A 6 -8.256 -10.459 -3.831 1.00 0.00 C ATOM 72 OG1 THR A 6 -7.226 -10.917 -4.689 1.00 0.00 O ATOM 73 CG2 THR A 6 -9.203 -11.616 -3.593 1.00 0.00 C ATOM 0 H THR A 6 -8.054 -7.395 -3.901 1.00 0.00 H new ATOM 0 HA THR A 6 -9.351 -9.467 -5.397 1.00 0.00 H new ATOM 0 HB THR A 6 -7.856 -10.136 -2.870 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.311 -10.482 -5.563 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.651 -12.459 -3.177 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.981 -11.311 -2.893 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.660 -11.913 -4.537 1.00 0.00 H new ATOM 78 N SER A 7 -11.158 -8.278 -4.107 1.00 0.00 N ATOM 79 CA SER A 7 -12.319 -7.832 -3.344 1.00 0.00 C ATOM 80 C SER A 7 -13.348 -8.954 -3.224 1.00 0.00 C ATOM 81 O SER A 7 -13.784 -9.516 -4.228 1.00 0.00 O ATOM 82 CB SER A 7 -12.955 -6.607 -4.002 1.00 0.00 C ATOM 83 OG SER A 7 -12.216 -6.186 -5.135 1.00 0.00 O ATOM 0 H SER A 7 -11.247 -8.165 -5.117 1.00 0.00 H new ATOM 0 HA SER A 7 -11.983 -7.558 -2.344 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.977 -6.841 -4.299 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.012 -5.793 -3.280 1.00 0.00 H new ATOM 0 HG SER A 7 -12.639 -5.393 -5.525 1.00 0.00 H new ATOM 89 N LYS A 8 -13.720 -9.285 -1.992 1.00 0.00 N ATOM 90 CA LYS A 8 -14.687 -10.352 -1.747 1.00 0.00 C ATOM 91 C LYS A 8 -16.041 -10.060 -2.399 1.00 0.00 C ATOM 92 O LYS A 8 -16.767 -10.983 -2.768 1.00 0.00 O ATOM 93 CB LYS A 8 -14.858 -10.583 -0.239 1.00 0.00 C ATOM 94 CG LYS A 8 -15.868 -9.659 0.425 1.00 0.00 C ATOM 95 CD LYS A 8 -15.604 -9.524 1.918 1.00 0.00 C ATOM 96 CE LYS A 8 -16.699 -10.186 2.740 1.00 0.00 C ATOM 97 NZ LYS A 8 -17.072 -9.368 3.928 1.00 0.00 N ATOM 0 H LYS A 8 -13.368 -8.832 -1.149 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.294 -11.260 -2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.165 -11.616 -0.074 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.891 -10.456 0.248 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.826 -8.676 -0.043 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.875 -10.045 0.266 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.642 -9.976 2.161 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.537 -8.469 2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.579 -10.341 2.115 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.363 -11.170 3.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -17.821 -9.853 4.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.239 -9.241 4.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.417 -8.438 3.615 1.00 0.00 H new ATOM 111 N GLN A 9 -16.385 -8.779 -2.539 1.00 0.00 N ATOM 112 CA GLN A 9 -17.660 -8.401 -3.147 1.00 0.00 C ATOM 113 C GLN A 9 -17.456 -7.450 -4.329 1.00 0.00 C ATOM 114 O GLN A 9 -17.293 -7.896 -5.466 1.00 0.00 O ATOM 115 CB GLN A 9 -18.602 -7.777 -2.107 1.00 0.00 C ATOM 116 CG GLN A 9 -17.901 -6.960 -1.030 1.00 0.00 C ATOM 117 CD GLN A 9 -18.660 -6.957 0.282 1.00 0.00 C ATOM 118 OE1 GLN A 9 -17.975 -7.311 1.363 1.00 0.00 O flip ATOM 119 NE2 GLN A 9 -19.848 -6.637 0.324 1.00 0.00 N flip ATOM 0 H GLN A 9 -15.805 -7.994 -2.243 1.00 0.00 H new ATOM 0 HA GLN A 9 -18.124 -9.311 -3.527 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -19.318 -7.137 -2.622 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -19.172 -8.573 -1.628 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -16.901 -7.362 -0.867 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -17.779 -5.934 -1.378 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -20.335 -6.372 -0.532 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -20.345 -6.637 1.215 1.00 0.00 H new ATOM 126 N MET A 10 -17.470 -6.142 -4.068 1.00 0.00 N ATOM 127 CA MET A 10 -17.290 -5.151 -5.124 1.00 0.00 C ATOM 128 C MET A 10 -16.059 -5.468 -5.962 1.00 0.00 C ATOM 129 O MET A 10 -14.927 -5.285 -5.517 1.00 0.00 O ATOM 130 CB MET A 10 -17.172 -3.747 -4.534 1.00 0.00 C ATOM 131 CG MET A 10 -16.139 -3.629 -3.426 1.00 0.00 C ATOM 132 SD MET A 10 -16.369 -2.160 -2.409 1.00 0.00 S ATOM 133 CE MET A 10 -14.698 -1.892 -1.824 1.00 0.00 C ATOM 0 H MET A 10 -17.604 -5.748 -3.137 1.00 0.00 H new ATOM 0 HA MET A 10 -18.168 -5.188 -5.768 1.00 0.00 H new ATOM 0 HB2 MET A 10 -16.917 -3.049 -5.331 1.00 0.00 H new ATOM 0 HB3 MET A 10 -18.144 -3.444 -4.145 1.00 0.00 H new ATOM 0 HG2 MET A 10 -16.189 -4.515 -2.793 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.142 -3.608 -3.866 1.00 0.00 H new ATOM 0 HE1 MET A 10 -14.727 -1.390 -0.857 1.00 0.00 H new ATOM 0 HE2 MET A 10 -14.191 -2.851 -1.719 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.157 -1.272 -2.539 1.00 0.00 H new ATOM 143 N ASP A 11 -16.291 -5.955 -7.174 1.00 0.00 N ATOM 144 CA ASP A 11 -15.203 -6.313 -8.072 1.00 0.00 C ATOM 145 C ASP A 11 -14.248 -5.143 -8.287 1.00 0.00 C ATOM 146 O ASP A 11 -14.403 -4.082 -7.681 1.00 0.00 O ATOM 147 CB ASP A 11 -15.756 -6.790 -9.416 1.00 0.00 C ATOM 148 CG ASP A 11 -16.700 -7.968 -9.268 1.00 0.00 C ATOM 149 OD1 ASP A 11 -16.429 -8.842 -8.418 1.00 0.00 O ATOM 150 OD2 ASP A 11 -17.708 -8.016 -10.002 1.00 0.00 O ATOM 0 H ASP A 11 -17.223 -6.111 -7.557 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.644 -7.124 -7.606 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -16.280 -5.967 -9.903 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.928 -7.071 -10.067 1.00 0.00 H new ATOM 155 N ILE A 12 -13.261 -5.347 -9.153 1.00 0.00 N ATOM 156 CA ILE A 12 -12.277 -4.311 -9.450 1.00 0.00 C ATOM 157 C ILE A 12 -12.624 -3.588 -10.746 1.00 0.00 C ATOM 158 O ILE A 12 -13.020 -4.211 -11.732 1.00 0.00 O ATOM 159 CB ILE A 12 -10.839 -4.878 -9.571 1.00 0.00 C ATOM 160 CG1 ILE A 12 -10.768 -6.328 -9.077 1.00 0.00 C ATOM 161 CG2 ILE A 12 -9.856 -4.009 -8.796 1.00 0.00 C ATOM 162 CD1 ILE A 12 -11.177 -6.497 -7.631 1.00 0.00 C ATOM 0 H ILE A 12 -13.121 -6.220 -9.662 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.307 -3.615 -8.611 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.565 -4.867 -10.626 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.411 -6.948 -9.702 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.750 -6.696 -9.203 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.852 -4.422 -8.892 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.872 -2.996 -9.197 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.140 -3.987 -7.744 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -11.102 -7.548 -7.352 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.519 -5.905 -6.995 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.206 -6.160 -7.502 1.00 0.00 H new ATOM 166 N THR A 13 -12.469 -2.273 -10.735 1.00 0.00 N ATOM 167 CA THR A 13 -12.758 -1.455 -11.903 1.00 0.00 C ATOM 168 C THR A 13 -11.728 -0.332 -12.033 1.00 0.00 C ATOM 169 O THR A 13 -10.838 -0.201 -11.192 1.00 0.00 O ATOM 170 CB THR A 13 -14.177 -0.879 -11.818 1.00 0.00 C ATOM 171 OG1 THR A 13 -14.158 0.458 -11.349 1.00 0.00 O ATOM 172 CG2 THR A 13 -15.102 -1.667 -10.910 1.00 0.00 C ATOM 0 H THR A 13 -12.143 -1.747 -9.925 1.00 0.00 H new ATOM 0 HA THR A 13 -12.697 -2.084 -12.791 1.00 0.00 H new ATOM 0 HB THR A 13 -14.560 -0.936 -12.837 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.074 0.802 -11.305 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.087 -1.200 -10.900 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.189 -2.689 -11.278 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.696 -1.679 -9.899 1.00 0.00 H new ATOM 177 N PRO A 14 -11.829 0.492 -13.089 1.00 0.00 N ATOM 178 CA PRO A 14 -10.895 1.599 -13.319 1.00 0.00 C ATOM 179 C PRO A 14 -10.620 2.419 -12.060 1.00 0.00 C ATOM 180 O PRO A 14 -9.469 2.724 -11.749 1.00 0.00 O ATOM 181 CB PRO A 14 -11.619 2.448 -14.360 1.00 0.00 C ATOM 182 CG PRO A 14 -12.435 1.471 -15.132 1.00 0.00 C ATOM 183 CD PRO A 14 -12.857 0.412 -14.148 1.00 0.00 C ATOM 0 HA PRO A 14 -9.914 1.243 -13.634 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -12.246 3.205 -13.889 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.914 2.974 -15.004 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.303 1.955 -15.580 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.856 1.037 -15.947 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.855 0.606 -13.754 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.882 -0.576 -14.608 1.00 0.00 H new ATOM 191 N ALA A 15 -11.681 2.778 -11.342 1.00 0.00 N ATOM 192 CA ALA A 15 -11.544 3.568 -10.122 1.00 0.00 C ATOM 193 C ALA A 15 -10.566 2.918 -9.149 1.00 0.00 C ATOM 194 O ALA A 15 -9.397 3.297 -9.093 1.00 0.00 O ATOM 195 CB ALA A 15 -12.902 3.769 -9.464 1.00 0.00 C ATOM 0 H ALA A 15 -12.642 2.535 -11.583 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.142 4.543 -10.396 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.782 4.360 -8.556 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.566 4.292 -10.152 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.331 2.799 -9.212 1.00 0.00 H new ATOM 201 N ILE A 16 -11.043 1.933 -8.388 1.00 0.00 N ATOM 202 CA ILE A 16 -10.190 1.238 -7.430 1.00 0.00 C ATOM 203 C ILE A 16 -8.886 0.813 -8.094 1.00 0.00 C ATOM 204 O ILE A 16 -7.810 1.214 -7.661 1.00 0.00 O ATOM 205 CB ILE A 16 -10.878 0.000 -6.819 1.00 0.00 C ATOM 206 CG1 ILE A 16 -11.768 -0.705 -7.853 1.00 0.00 C ATOM 207 CG2 ILE A 16 -11.672 0.391 -5.581 1.00 0.00 C ATOM 208 CD1 ILE A 16 -13.228 -0.304 -7.807 1.00 0.00 C ATOM 0 H ILE A 16 -12.007 1.602 -8.417 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.987 1.940 -6.622 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.106 -0.708 -6.517 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.379 -0.497 -8.850 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.696 -1.782 -7.701 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.151 -0.494 -5.162 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -11.001 0.825 -4.840 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -12.434 1.122 -5.853 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.780 -0.851 -8.571 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -13.639 -0.538 -6.825 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -13.317 0.767 -7.992 1.00 0.00 H new ATOM 212 N ARG A 17 -8.987 0.022 -9.162 1.00 0.00 N ATOM 213 CA ARG A 17 -7.803 -0.434 -9.892 1.00 0.00 C ATOM 214 C ARG A 17 -6.773 0.689 -9.981 1.00 0.00 C ATOM 215 O ARG A 17 -5.649 0.562 -9.493 1.00 0.00 O ATOM 216 CB ARG A 17 -8.192 -0.892 -11.300 1.00 0.00 C ATOM 217 CG ARG A 17 -7.084 -1.642 -12.024 1.00 0.00 C ATOM 218 CD ARG A 17 -7.595 -2.934 -12.642 1.00 0.00 C ATOM 219 NE ARG A 17 -6.520 -3.900 -12.857 1.00 0.00 N ATOM 220 CZ ARG A 17 -6.612 -4.938 -13.685 1.00 0.00 C ATOM 221 NH1 ARG A 17 -7.723 -5.148 -14.379 1.00 0.00 N ATOM 222 NH2 ARG A 17 -5.586 -5.769 -13.822 1.00 0.00 N ATOM 0 H ARG A 17 -9.872 -0.315 -9.540 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.367 -1.275 -9.353 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.071 -1.533 -11.235 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.476 -0.021 -11.891 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.663 -1.007 -12.803 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.278 -1.866 -11.325 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.352 -3.373 -11.992 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.080 -2.714 -13.593 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.649 -3.771 -12.343 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.514 -4.512 -14.280 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.786 -5.946 -15.012 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.728 -5.612 -13.293 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.655 -6.565 -14.456 1.00 0.00 H new ATOM 236 N GLU A 18 -7.183 1.798 -10.584 1.00 0.00 N ATOM 237 CA GLU A 18 -6.317 2.962 -10.722 1.00 0.00 C ATOM 238 C GLU A 18 -5.892 3.472 -9.348 1.00 0.00 C ATOM 239 O GLU A 18 -4.735 3.835 -9.140 1.00 0.00 O ATOM 240 CB GLU A 18 -7.041 4.068 -11.496 1.00 0.00 C ATOM 241 CG GLU A 18 -6.218 5.336 -11.663 1.00 0.00 C ATOM 242 CD GLU A 18 -5.357 5.312 -12.910 1.00 0.00 C ATOM 243 OE1 GLU A 18 -5.076 4.205 -13.416 1.00 0.00 O ATOM 244 OE2 GLU A 18 -4.964 6.400 -13.382 1.00 0.00 O ATOM 0 H GLU A 18 -8.113 1.916 -10.986 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.425 2.671 -11.276 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.315 3.691 -12.481 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.969 4.313 -10.980 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.887 6.196 -11.704 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.581 5.469 -10.789 1.00 0.00 H new ATOM 251 N HIS A 19 -6.835 3.481 -8.409 1.00 0.00 N ATOM 252 CA HIS A 19 -6.564 3.927 -7.052 1.00 0.00 C ATOM 253 C HIS A 19 -5.530 3.013 -6.407 1.00 0.00 C ATOM 254 O HIS A 19 -4.390 3.410 -6.174 1.00 0.00 O ATOM 255 CB HIS A 19 -7.862 3.913 -6.249 1.00 0.00 C ATOM 256 CG HIS A 19 -7.865 4.814 -5.069 1.00 0.00 C ATOM 257 ND1 HIS A 19 -8.450 4.651 -3.875 1.00 0.00 N flip ATOM 258 CD2 HIS A 19 -7.244 6.043 -5.035 1.00 0.00 C flip ATOM 259 CE1 HIS A 19 -8.184 5.773 -3.129 1.00 0.00 C flip ATOM 260 NE2 HIS A 19 -7.452 6.601 -3.854 1.00 0.00 N flip ATOM 0 H HIS A 19 -7.797 3.182 -8.568 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.167 4.942 -7.070 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -8.685 4.194 -6.907 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -8.056 2.894 -5.913 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -6.678 6.481 -5.844 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -8.518 5.950 -2.117 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -7.107 7.513 -3.554 1.00 0.00 H new ATOM 269 N LEU A 20 -5.942 1.775 -6.150 1.00 0.00 N ATOM 270 CA LEU A 20 -5.071 0.761 -5.561 1.00 0.00 C ATOM 271 C LEU A 20 -3.687 0.799 -6.219 1.00 0.00 C ATOM 272 O LEU A 20 -2.659 0.943 -5.542 1.00 0.00 O ATOM 273 CB LEU A 20 -5.720 -0.620 -5.722 1.00 0.00 C ATOM 274 CG LEU A 20 -7.234 -0.640 -5.442 1.00 0.00 C ATOM 275 CD1 LEU A 20 -7.850 -2.002 -5.701 1.00 0.00 C ATOM 276 CD2 LEU A 20 -7.512 -0.193 -4.020 1.00 0.00 C ATOM 0 H LEU A 20 -6.888 1.446 -6.344 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.939 0.966 -4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.544 -0.976 -6.737 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.228 -1.322 -5.049 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.701 0.059 -6.136 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.919 -1.964 -5.489 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.696 -2.278 -6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.378 -2.743 -5.056 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.586 -0.212 -3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.013 -0.866 -3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.137 0.821 -3.877 1.00 0.00 H new ATOM 282 N GLU A 21 -3.666 0.705 -7.549 1.00 0.00 N ATOM 283 CA GLU A 21 -2.415 0.760 -8.293 1.00 0.00 C ATOM 284 C GLU A 21 -1.696 2.073 -8.008 1.00 0.00 C ATOM 285 O GLU A 21 -0.527 2.084 -7.611 1.00 0.00 O ATOM 286 CB GLU A 21 -2.678 0.621 -9.794 1.00 0.00 C ATOM 287 CG GLU A 21 -3.363 -0.681 -10.173 1.00 0.00 C ATOM 288 CD GLU A 21 -4.128 -0.578 -11.478 1.00 0.00 C ATOM 289 OE1 GLU A 21 -4.650 0.517 -11.776 1.00 0.00 O ATOM 290 OE2 GLU A 21 -4.206 -1.593 -12.202 1.00 0.00 O ATOM 0 H GLU A 21 -4.498 0.591 -8.127 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.783 -0.069 -7.973 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.295 1.456 -10.125 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.731 0.693 -10.329 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.616 -1.470 -10.255 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.048 -0.972 -9.377 1.00 0.00 H new ATOM 297 N GLU A 22 -2.411 3.181 -8.195 1.00 0.00 N ATOM 298 CA GLU A 22 -1.848 4.503 -7.938 1.00 0.00 C ATOM 299 C GLU A 22 -1.266 4.559 -6.531 1.00 0.00 C ATOM 300 O GLU A 22 -0.202 5.137 -6.311 1.00 0.00 O ATOM 301 CB GLU A 22 -2.915 5.589 -8.108 1.00 0.00 C ATOM 302 CG GLU A 22 -2.396 6.994 -7.853 1.00 0.00 C ATOM 303 CD GLU A 22 -3.107 8.039 -8.691 1.00 0.00 C ATOM 304 OE1 GLU A 22 -4.287 8.330 -8.401 1.00 0.00 O ATOM 305 OE2 GLU A 22 -2.484 8.566 -9.636 1.00 0.00 O ATOM 0 H GLU A 22 -3.377 3.189 -8.522 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.053 4.685 -8.661 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.317 5.537 -9.120 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.741 5.386 -7.426 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.517 7.236 -6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.328 7.027 -8.067 1.00 0.00 H new ATOM 312 N ARG A 23 -1.964 3.935 -5.583 1.00 0.00 N ATOM 313 CA ARG A 23 -1.505 3.897 -4.203 1.00 0.00 C ATOM 314 C ARG A 23 -0.147 3.216 -4.137 1.00 0.00 C ATOM 315 O ARG A 23 0.787 3.731 -3.518 1.00 0.00 O ATOM 316 CB ARG A 23 -2.509 3.165 -3.315 1.00 0.00 C ATOM 317 CG ARG A 23 -3.697 4.024 -2.910 1.00 0.00 C ATOM 318 CD ARG A 23 -3.257 5.355 -2.321 1.00 0.00 C ATOM 319 NE ARG A 23 -4.344 6.029 -1.617 1.00 0.00 N ATOM 320 CZ ARG A 23 -4.194 7.161 -0.932 1.00 0.00 C ATOM 321 NH1 ARG A 23 -3.006 7.747 -0.858 1.00 0.00 N ATOM 322 NH2 ARG A 23 -5.236 7.710 -0.321 1.00 0.00 N ATOM 0 H ARG A 23 -2.847 3.451 -5.749 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.414 4.919 -3.836 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.871 2.282 -3.841 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.000 2.815 -2.417 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.329 4.203 -3.780 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.303 3.486 -2.181 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.427 5.190 -1.634 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.887 6.000 -3.118 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.273 5.608 -1.652 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.202 7.331 -1.327 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.897 8.614 -0.332 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.152 7.265 -0.376 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.121 8.577 0.204 1.00 0.00 H new ATOM 336 N LEU A 24 -0.029 2.069 -4.806 1.00 0.00 N ATOM 337 CA LEU A 24 1.242 1.353 -4.834 1.00 0.00 C ATOM 338 C LEU A 24 2.307 2.226 -5.484 1.00 0.00 C ATOM 339 O LEU A 24 3.392 2.423 -4.933 1.00 0.00 O ATOM 340 CB LEU A 24 1.114 0.036 -5.601 1.00 0.00 C ATOM 341 CG LEU A 24 2.365 -0.844 -5.586 1.00 0.00 C ATOM 342 CD1 LEU A 24 2.415 -1.683 -4.316 1.00 0.00 C ATOM 343 CD2 LEU A 24 2.407 -1.735 -6.819 1.00 0.00 C ATOM 0 H LEU A 24 -0.785 1.624 -5.327 1.00 0.00 H new ATOM 0 HA LEU A 24 1.530 1.124 -3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.283 -0.532 -5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.857 0.259 -6.637 1.00 0.00 H new ATOM 0 HG LEU A 24 3.241 -0.195 -5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.312 -2.302 -4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.435 -1.026 -3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.533 -2.322 -4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.304 -2.354 -6.791 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.525 -2.375 -6.835 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.422 -1.115 -7.715 1.00 0.00 H new ATOM 349 N ALA A 25 1.975 2.768 -6.655 1.00 0.00 N ATOM 350 CA ALA A 25 2.891 3.643 -7.373 1.00 0.00 C ATOM 351 C ALA A 25 3.296 4.815 -6.490 1.00 0.00 C ATOM 352 O ALA A 25 4.420 5.312 -6.570 1.00 0.00 O ATOM 353 CB ALA A 25 2.251 4.140 -8.662 1.00 0.00 C ATOM 0 H ALA A 25 1.081 2.615 -7.122 1.00 0.00 H new ATOM 0 HA ALA A 25 3.786 3.077 -7.632 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.949 4.793 -9.187 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.003 3.289 -9.297 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.342 4.694 -8.427 1.00 0.00 H new ATOM 359 N LYS A 26 2.370 5.238 -5.633 1.00 0.00 N ATOM 360 CA LYS A 26 2.626 6.337 -4.714 1.00 0.00 C ATOM 361 C LYS A 26 3.564 5.878 -3.605 1.00 0.00 C ATOM 362 O LYS A 26 4.475 6.604 -3.206 1.00 0.00 O ATOM 363 CB LYS A 26 1.316 6.852 -4.115 1.00 0.00 C ATOM 364 CG LYS A 26 1.461 8.178 -3.386 1.00 0.00 C ATOM 365 CD LYS A 26 0.786 9.310 -4.145 1.00 0.00 C ATOM 366 CE LYS A 26 -0.572 9.648 -3.551 1.00 0.00 C ATOM 367 NZ LYS A 26 -1.537 10.098 -4.592 1.00 0.00 N ATOM 0 H LYS A 26 1.436 4.834 -5.558 1.00 0.00 H new ATOM 0 HA LYS A 26 3.097 7.151 -5.266 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.581 6.963 -4.912 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.925 6.107 -3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.025 8.096 -2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.518 8.407 -3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.423 10.194 -4.124 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.667 9.028 -5.191 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.972 8.773 -3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.456 10.431 -2.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.450 10.319 -4.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.167 10.948 -5.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.668 9.342 -5.294 1.00 0.00 H new ATOM 381 N LEU A 27 3.344 4.657 -3.124 1.00 0.00 N ATOM 382 CA LEU A 27 4.183 4.092 -2.074 1.00 0.00 C ATOM 383 C LEU A 27 5.540 3.670 -2.639 1.00 0.00 C ATOM 384 O LEU A 27 6.457 3.338 -1.890 1.00 0.00 O ATOM 385 CB LEU A 27 3.487 2.899 -1.405 1.00 0.00 C ATOM 386 CG LEU A 27 2.788 3.222 -0.080 1.00 0.00 C ATOM 387 CD1 LEU A 27 2.225 1.959 0.553 1.00 0.00 C ATOM 388 CD2 LEU A 27 3.747 3.916 0.878 1.00 0.00 C ATOM 0 H LEU A 27 2.595 4.043 -3.444 1.00 0.00 H new ATOM 0 HA LEU A 27 4.347 4.861 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.751 2.491 -2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.226 2.118 -1.228 1.00 0.00 H new ATOM 0 HG LEU A 27 1.960 3.899 -0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.733 2.211 1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.502 1.504 -0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.035 1.256 0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.231 4.137 1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.597 3.264 1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.100 4.845 0.430 1.00 0.00 H new ATOM 394 N GLY A 28 5.664 3.693 -3.966 1.00 0.00 N ATOM 395 CA GLY A 28 6.917 3.319 -4.602 1.00 0.00 C ATOM 396 C GLY A 28 8.056 4.253 -4.237 1.00 0.00 C ATOM 397 O GLY A 28 9.210 3.832 -4.165 1.00 0.00 O ATOM 0 H GLY A 28 4.921 3.963 -4.610 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.179 2.302 -4.311 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.785 3.318 -5.684 1.00 0.00 H new ATOM 401 N LYS A 29 7.733 5.522 -4.007 1.00 0.00 N ATOM 402 CA LYS A 29 8.745 6.512 -3.649 1.00 0.00 C ATOM 403 C LYS A 29 9.244 6.310 -2.218 1.00 0.00 C ATOM 404 O LYS A 29 10.233 6.916 -1.806 1.00 0.00 O ATOM 405 CB LYS A 29 8.200 7.935 -3.822 1.00 0.00 C ATOM 406 CG LYS A 29 7.152 8.341 -2.794 1.00 0.00 C ATOM 407 CD LYS A 29 7.438 9.721 -2.220 1.00 0.00 C ATOM 408 CE LYS A 29 7.399 9.718 -0.700 1.00 0.00 C ATOM 409 NZ LYS A 29 8.685 10.184 -0.111 1.00 0.00 N ATOM 0 H LYS A 29 6.783 5.889 -4.062 1.00 0.00 H new ATOM 0 HA LYS A 29 9.589 6.374 -4.325 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.032 8.637 -3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.767 8.026 -4.818 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.165 8.336 -3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.129 7.608 -1.988 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.417 10.060 -2.558 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.706 10.432 -2.601 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.588 10.360 -0.356 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.180 8.711 -0.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.618 10.167 0.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.455 9.556 -0.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.881 11.154 -0.430 1.00 0.00 H new ATOM 423 N TRP A 30 8.563 5.448 -1.470 1.00 0.00 N ATOM 424 CA TRP A 30 8.941 5.157 -0.103 1.00 0.00 C ATOM 425 C TRP A 30 10.068 4.135 -0.080 1.00 0.00 C ATOM 426 O TRP A 30 9.843 2.966 -0.377 1.00 0.00 O ATOM 427 CB TRP A 30 7.734 4.629 0.667 1.00 0.00 C ATOM 428 CG TRP A 30 6.799 5.709 1.119 1.00 0.00 C ATOM 429 CD1 TRP A 30 5.854 6.351 0.372 1.00 0.00 C ATOM 430 CD2 TRP A 30 6.726 6.273 2.428 1.00 0.00 C ATOM 431 NE1 TRP A 30 5.193 7.278 1.144 1.00 0.00 N ATOM 432 CE2 TRP A 30 5.713 7.249 2.412 1.00 0.00 C ATOM 433 CE3 TRP A 30 7.420 6.043 3.613 1.00 0.00 C ATOM 434 CZ2 TRP A 30 5.380 7.993 3.542 1.00 0.00 C ATOM 435 CZ3 TRP A 30 7.092 6.782 4.731 1.00 0.00 C ATOM 436 CH2 TRP A 30 6.079 7.746 4.690 1.00 0.00 C ATOM 0 H TRP A 30 7.742 4.939 -1.796 1.00 0.00 H new ATOM 0 HA TRP A 30 9.290 6.073 0.373 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.189 3.927 0.036 1.00 0.00 H new ATOM 0 HB3 TRP A 30 8.082 4.072 1.537 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.655 6.159 -0.672 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.439 7.887 0.825 1.00 0.00 H new ATOM 0 HE3 TRP A 30 8.202 5.299 3.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.598 8.738 3.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.627 6.613 5.654 1.00 0.00 H new ATOM 0 HH2 TRP A 30 5.845 8.306 5.583 1.00 0.00 H new ATOM 447 N GLN A 31 11.278 4.588 0.257 1.00 0.00 N ATOM 448 CA GLN A 31 12.451 3.713 0.307 1.00 0.00 C ATOM 449 C GLN A 31 12.114 2.371 0.961 1.00 0.00 C ATOM 450 O GLN A 31 12.443 2.116 2.117 1.00 0.00 O ATOM 451 CB GLN A 31 13.605 4.415 1.037 1.00 0.00 C ATOM 452 CG GLN A 31 13.418 4.539 2.542 1.00 0.00 C ATOM 453 CD GLN A 31 14.468 3.772 3.318 1.00 0.00 C ATOM 454 OE1 GLN A 31 14.821 2.592 2.821 1.00 0.00 O flip ATOM 455 NE2 GLN A 31 14.958 4.231 4.349 1.00 0.00 N flip ATOM 0 H GLN A 31 11.471 5.560 0.500 1.00 0.00 H new ATOM 0 HA GLN A 31 12.768 3.504 -0.715 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.527 3.868 0.842 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.731 5.412 0.616 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.457 5.591 2.825 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.428 4.172 2.814 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.657 5.142 4.695 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.665 3.700 4.858 1.00 0.00 H new ATOM 462 N THR A 32 11.428 1.529 0.200 1.00 0.00 N ATOM 463 CA THR A 32 11.005 0.228 0.666 1.00 0.00 C ATOM 464 C THR A 32 10.875 -0.729 -0.521 1.00 0.00 C ATOM 465 O THR A 32 11.042 -0.325 -1.672 1.00 0.00 O ATOM 466 CB THR A 32 9.672 0.379 1.403 1.00 0.00 C ATOM 467 OG1 THR A 32 9.781 1.352 2.427 1.00 0.00 O ATOM 468 CG2 THR A 32 9.175 -0.897 2.045 1.00 0.00 C ATOM 0 H THR A 32 11.151 1.736 -0.760 1.00 0.00 H new ATOM 0 HA THR A 32 11.743 -0.188 1.352 1.00 0.00 H new ATOM 0 HB THR A 32 8.957 0.674 0.635 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.903 0.906 3.291 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.226 -0.706 2.547 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.033 -1.659 1.278 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.907 -1.247 2.773 1.00 0.00 H new ATOM 473 N GLN A 33 10.575 -1.988 -0.239 1.00 0.00 N ATOM 474 CA GLN A 33 10.416 -3.000 -1.272 1.00 0.00 C ATOM 475 C GLN A 33 9.052 -3.625 -1.135 1.00 0.00 C ATOM 476 O GLN A 33 8.821 -4.428 -0.235 1.00 0.00 O ATOM 477 CB GLN A 33 11.474 -4.089 -1.131 1.00 0.00 C ATOM 478 CG GLN A 33 12.484 -4.135 -2.257 1.00 0.00 C ATOM 479 CD GLN A 33 13.792 -3.474 -1.884 1.00 0.00 C ATOM 480 OE1 GLN A 33 13.701 -2.338 -1.206 1.00 0.00 O flip ATOM 481 NE2 GLN A 33 14.870 -3.978 -2.199 1.00 0.00 N flip ATOM 0 H GLN A 33 10.435 -2.336 0.710 1.00 0.00 H new ATOM 0 HA GLN A 33 10.528 -2.527 -2.248 1.00 0.00 H new ATOM 0 HB2 GLN A 33 12.005 -3.942 -0.190 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.975 -5.056 -1.068 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.670 -5.173 -2.533 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.068 -3.642 -3.135 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.890 -4.854 -2.721 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.743 -3.520 -1.938 1.00 0.00 H new ATOM 488 N LEU A 34 8.145 -3.245 -2.003 1.00 0.00 N ATOM 489 CA LEU A 34 6.802 -3.767 -1.937 1.00 0.00 C ATOM 490 C LEU A 34 6.756 -5.214 -2.402 1.00 0.00 C ATOM 491 O LEU A 34 6.119 -5.543 -3.402 1.00 0.00 O ATOM 492 CB LEU A 34 5.868 -2.902 -2.768 1.00 0.00 C ATOM 493 CG LEU A 34 6.167 -1.408 -2.699 1.00 0.00 C ATOM 494 CD1 LEU A 34 5.024 -0.621 -3.305 1.00 0.00 C ATOM 495 CD2 LEU A 34 6.420 -0.980 -1.257 1.00 0.00 C ATOM 0 H LEU A 34 8.311 -2.580 -2.759 1.00 0.00 H new ATOM 0 HA LEU A 34 6.471 -3.743 -0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.923 -3.224 -3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.844 -3.071 -2.436 1.00 0.00 H new ATOM 0 HG LEU A 34 7.070 -1.202 -3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.247 0.445 -3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.894 -0.912 -4.347 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.107 -0.828 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.632 0.089 -1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.537 -1.192 -0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.272 -1.530 -0.858 1.00 0.00 H new ATOM 501 N ILE A 35 7.437 -6.071 -1.658 1.00 0.00 N ATOM 502 CA ILE A 35 7.489 -7.486 -1.967 1.00 0.00 C ATOM 503 C ILE A 35 6.090 -8.072 -2.091 1.00 0.00 C ATOM 504 O ILE A 35 5.421 -8.333 -1.090 1.00 0.00 O ATOM 505 CB ILE A 35 8.273 -8.240 -0.887 1.00 0.00 C ATOM 506 CG1 ILE A 35 9.673 -7.625 -0.758 1.00 0.00 C ATOM 507 CG2 ILE A 35 8.348 -9.728 -1.222 1.00 0.00 C ATOM 508 CD1 ILE A 35 10.669 -8.529 -0.077 1.00 0.00 C ATOM 0 H ILE A 35 7.966 -5.805 -0.828 1.00 0.00 H new ATOM 0 HA ILE A 35 7.997 -7.600 -2.925 1.00 0.00 H new ATOM 0 HB ILE A 35 7.760 -8.147 0.070 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.043 -7.374 -1.752 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.601 -6.692 -0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.908 -10.248 -0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.340 -10.139 -1.280 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.849 -9.860 -2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 35 11.636 -8.029 -0.021 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.321 -8.760 0.930 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.771 -9.453 -0.647 1.00 0.00 H new ATOM 512 N SER A 36 5.656 -8.277 -3.328 1.00 0.00 N ATOM 513 CA SER A 36 4.334 -8.833 -3.596 1.00 0.00 C ATOM 514 C SER A 36 3.265 -8.139 -2.757 1.00 0.00 C ATOM 515 O SER A 36 2.961 -8.556 -1.640 1.00 0.00 O ATOM 516 CB SER A 36 4.338 -10.335 -3.317 1.00 0.00 C ATOM 517 OG SER A 36 3.019 -10.840 -3.206 1.00 0.00 O ATOM 0 H SER A 36 6.201 -8.066 -4.164 1.00 0.00 H new ATOM 0 HA SER A 36 4.095 -8.664 -4.646 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.863 -10.855 -4.119 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.885 -10.535 -2.396 1.00 0.00 H new ATOM 0 HG SER A 36 3.051 -11.803 -3.029 1.00 0.00 H new ATOM 523 N PRO A 37 2.694 -7.054 -3.296 1.00 0.00 N ATOM 524 CA PRO A 37 1.671 -6.262 -2.637 1.00 0.00 C ATOM 525 C PRO A 37 0.256 -6.658 -3.049 1.00 0.00 C ATOM 526 O PRO A 37 -0.016 -6.891 -4.227 1.00 0.00 O ATOM 527 CB PRO A 37 1.988 -4.847 -3.132 1.00 0.00 C ATOM 528 CG PRO A 37 2.790 -5.019 -4.395 1.00 0.00 C ATOM 529 CD PRO A 37 3.012 -6.489 -4.604 1.00 0.00 C ATOM 0 HA PRO A 37 1.687 -6.385 -1.554 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.073 -4.287 -3.324 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.552 -4.289 -2.384 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.260 -4.589 -5.245 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.743 -4.497 -4.316 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.365 -6.889 -5.385 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.039 -6.705 -4.899 1.00 0.00 H new ATOM 537 N HIS A 38 -0.644 -6.710 -2.073 1.00 0.00 N ATOM 538 CA HIS A 38 -2.035 -7.053 -2.335 1.00 0.00 C ATOM 539 C HIS A 38 -2.961 -5.997 -1.770 1.00 0.00 C ATOM 540 O HIS A 38 -2.540 -5.114 -1.025 1.00 0.00 O ATOM 541 CB HIS A 38 -2.400 -8.400 -1.716 1.00 0.00 C ATOM 542 CG HIS A 38 -2.586 -9.500 -2.708 1.00 0.00 C ATOM 543 ND1 HIS A 38 -3.496 -9.658 -3.697 1.00 0.00 N flip ATOM 544 CD2 HIS A 38 -1.792 -10.625 -2.736 1.00 0.00 C flip ATOM 545 CE1 HIS A 38 -3.238 -10.866 -4.296 1.00 0.00 C flip ATOM 546 NE2 HIS A 38 -2.206 -11.429 -3.697 1.00 0.00 N flip ATOM 0 H HIS A 38 -0.434 -6.519 -1.093 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.153 -7.110 -3.417 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.618 -8.688 -1.014 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.319 -8.286 -1.141 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -0.960 -10.819 -2.075 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -3.790 -11.287 -5.123 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.797 -12.332 -3.936 1.00 0.00 H new ATOM 555 N PHE A 39 -4.230 -6.116 -2.112 1.00 0.00 N ATOM 556 CA PHE A 39 -5.233 -5.191 -1.623 1.00 0.00 C ATOM 557 C PHE A 39 -6.598 -5.860 -1.524 1.00 0.00 C ATOM 558 O PHE A 39 -7.321 -5.970 -2.510 1.00 0.00 O ATOM 559 CB PHE A 39 -5.300 -3.950 -2.509 1.00 0.00 C ATOM 560 CG PHE A 39 -4.738 -2.724 -1.848 1.00 0.00 C ATOM 561 CD1 PHE A 39 -3.369 -2.533 -1.751 1.00 0.00 C ATOM 562 CD2 PHE A 39 -5.585 -1.766 -1.315 1.00 0.00 C ATOM 563 CE1 PHE A 39 -2.855 -1.407 -1.134 1.00 0.00 C ATOM 564 CE2 PHE A 39 -5.078 -0.639 -0.699 1.00 0.00 C ATOM 565 CZ PHE A 39 -3.711 -0.459 -0.608 1.00 0.00 C ATOM 0 H PHE A 39 -4.590 -6.845 -2.727 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.941 -4.880 -0.620 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.754 -4.140 -3.433 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.338 -3.763 -2.785 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.696 -3.271 -2.162 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.654 -1.902 -1.382 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.786 -1.269 -1.064 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.749 0.101 -0.289 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.312 0.422 -0.126 1.00 0.00 H new ATOM 575 N VAL A 40 -6.948 -6.299 -0.322 1.00 0.00 N ATOM 576 CA VAL A 40 -8.223 -6.943 -0.087 1.00 0.00 C ATOM 577 C VAL A 40 -9.273 -5.895 0.265 1.00 0.00 C ATOM 578 O VAL A 40 -9.460 -5.545 1.431 1.00 0.00 O ATOM 579 CB VAL A 40 -8.110 -7.978 1.045 1.00 0.00 C ATOM 580 CG1 VAL A 40 -9.446 -8.645 1.290 1.00 0.00 C ATOM 581 CG2 VAL A 40 -7.040 -9.011 0.717 1.00 0.00 C ATOM 0 H VAL A 40 -6.359 -6.218 0.507 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.523 -7.462 -0.997 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.816 -7.462 1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.347 -9.374 2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.182 -7.892 1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.773 -9.150 0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.973 -9.736 1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.302 -9.525 -0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.078 -8.513 0.595 1.00 0.00 H new ATOM 585 N LEU A 41 -9.934 -5.381 -0.767 1.00 0.00 N ATOM 586 CA LEU A 41 -10.952 -4.346 -0.601 1.00 0.00 C ATOM 587 C LEU A 41 -12.350 -4.933 -0.477 1.00 0.00 C ATOM 588 O LEU A 41 -12.684 -5.914 -1.137 1.00 0.00 O ATOM 589 CB LEU A 41 -10.916 -3.368 -1.779 1.00 0.00 C ATOM 590 CG LEU A 41 -11.384 -3.923 -3.123 1.00 0.00 C ATOM 591 CD1 LEU A 41 -11.624 -2.791 -4.107 1.00 0.00 C ATOM 592 CD2 LEU A 41 -10.370 -4.905 -3.685 1.00 0.00 C ATOM 0 H LEU A 41 -9.782 -5.666 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.722 -3.819 0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.534 -2.506 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.895 -3.005 -1.894 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.322 -4.455 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -11.957 -3.202 -5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.389 -2.122 -3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.698 -2.235 -4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.725 -5.287 -4.642 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.415 -4.400 -3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.242 -5.734 -2.989 1.00 0.00 H new ATOM 598 N ASN A 42 -13.170 -4.315 0.367 1.00 0.00 N ATOM 599 CA ASN A 42 -14.539 -4.770 0.559 1.00 0.00 C ATOM 600 C ASN A 42 -15.464 -3.619 0.954 1.00 0.00 C ATOM 601 O ASN A 42 -15.016 -2.542 1.354 1.00 0.00 O ATOM 602 CB ASN A 42 -14.601 -5.875 1.611 1.00 0.00 C ATOM 603 CG ASN A 42 -13.730 -7.061 1.254 1.00 0.00 C ATOM 604 OD1 ASN A 42 -13.860 -7.641 0.177 1.00 0.00 O ATOM 605 ND2 ASN A 42 -12.836 -7.428 2.161 1.00 0.00 N ATOM 0 H ASN A 42 -12.911 -3.502 0.926 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.884 -5.170 -0.395 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -14.287 -5.474 2.574 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -15.633 -6.207 1.725 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.221 -8.221 1.979 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.763 -6.918 3.041 1.00 0.00 H new ATOM 610 N LYS A 43 -16.760 -3.866 0.836 1.00 0.00 N ATOM 611 CA LYS A 43 -17.776 -2.875 1.167 1.00 0.00 C ATOM 612 C LYS A 43 -18.801 -3.457 2.131 1.00 0.00 C ATOM 613 O LYS A 43 -18.975 -4.673 2.207 1.00 0.00 O ATOM 614 CB LYS A 43 -18.503 -2.430 -0.105 1.00 0.00 C ATOM 615 CG LYS A 43 -20.013 -2.289 0.068 1.00 0.00 C ATOM 616 CD LYS A 43 -20.666 -1.683 -1.163 1.00 0.00 C ATOM 617 CE LYS A 43 -21.853 -0.811 -0.790 1.00 0.00 C ATOM 618 NZ LYS A 43 -21.488 0.631 -0.731 1.00 0.00 N ATOM 0 H LYS A 43 -17.137 -4.756 0.509 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.279 -2.025 1.635 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -18.093 -1.474 -0.432 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.303 -3.150 -0.898 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -20.449 -3.268 0.267 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -20.223 -1.664 0.936 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -19.934 -1.089 -1.709 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -20.994 -2.479 -1.832 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -22.651 -0.954 -1.519 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -22.245 -1.126 0.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -21.777 1.025 0.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -20.459 0.734 -0.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -21.973 1.143 -1.495 1.00 0.00 H new ATOM 632 N VAL A 44 -19.513 -2.579 2.827 1.00 0.00 N ATOM 633 CA VAL A 44 -20.556 -3.006 3.744 1.00 0.00 C ATOM 634 C VAL A 44 -21.515 -1.852 4.051 1.00 0.00 C ATOM 635 O VAL A 44 -21.118 -0.687 4.058 1.00 0.00 O ATOM 636 CB VAL A 44 -19.993 -3.640 5.047 1.00 0.00 C ATOM 637 CG1 VAL A 44 -18.524 -4.015 4.906 1.00 0.00 C ATOM 638 CG2 VAL A 44 -20.185 -2.753 6.270 1.00 0.00 C ATOM 0 H VAL A 44 -19.385 -1.568 2.772 1.00 0.00 H new ATOM 0 HA VAL A 44 -21.116 -3.795 3.241 1.00 0.00 H new ATOM 0 HB VAL A 44 -20.575 -4.548 5.203 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -18.170 -4.455 5.838 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -18.409 -4.737 4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -17.941 -3.122 4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -19.772 -3.250 7.148 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -19.672 -1.804 6.115 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -21.249 -2.570 6.423 1.00 0.00 H new ATOM 642 N PRO A 45 -22.802 -2.164 4.291 1.00 0.00 N ATOM 643 CA PRO A 45 -23.824 -1.153 4.578 1.00 0.00 C ATOM 644 C PRO A 45 -23.350 -0.092 5.563 1.00 0.00 C ATOM 645 O PRO A 45 -23.505 1.106 5.324 1.00 0.00 O ATOM 646 CB PRO A 45 -24.962 -1.978 5.176 1.00 0.00 C ATOM 647 CG PRO A 45 -24.837 -3.312 4.525 1.00 0.00 C ATOM 648 CD PRO A 45 -23.365 -3.529 4.286 1.00 0.00 C ATOM 0 HA PRO A 45 -24.102 -0.589 3.688 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -24.870 -2.055 6.259 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -25.932 -1.525 4.970 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -25.247 -4.096 5.162 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -25.392 -3.341 3.587 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -22.920 -4.148 5.065 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -23.184 -4.033 3.337 1.00 0.00 H new ATOM 656 N ASN A 46 -22.779 -0.539 6.672 1.00 0.00 N ATOM 657 CA ASN A 46 -22.285 0.368 7.701 1.00 0.00 C ATOM 658 C ASN A 46 -20.906 0.935 7.354 1.00 0.00 C ATOM 659 O ASN A 46 -20.195 1.416 8.238 1.00 0.00 O ATOM 660 CB ASN A 46 -22.226 -0.351 9.050 1.00 0.00 C ATOM 661 CG ASN A 46 -22.763 0.502 10.183 1.00 0.00 C ATOM 662 OD1 ASN A 46 -22.116 0.658 11.218 1.00 0.00 O ATOM 663 ND2 ASN A 46 -23.955 1.055 9.992 1.00 0.00 N ATOM 0 H ASN A 46 -22.645 -1.528 6.884 1.00 0.00 H new ATOM 0 HA ASN A 46 -22.981 1.205 7.760 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -22.800 -1.276 8.991 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -21.194 -0.629 9.266 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -24.370 1.637 10.720 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -24.456 0.898 9.117 1.00 0.00 H new ATOM 668 N GLY A 47 -20.523 0.889 6.077 1.00 0.00 N ATOM 669 CA GLY A 47 -19.235 1.414 5.681 1.00 0.00 C ATOM 670 C GLY A 47 -18.464 0.478 4.769 1.00 0.00 C ATOM 671 O GLY A 47 -18.787 -0.701 4.645 1.00 0.00 O ATOM 0 H GLY A 47 -21.082 0.499 5.318 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.379 2.368 5.174 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.641 1.613 6.573 1.00 0.00 H new ATOM 675 N PHE A 48 -17.434 1.017 4.143 1.00 0.00 N ATOM 676 CA PHE A 48 -16.583 0.254 3.242 1.00 0.00 C ATOM 677 C PHE A 48 -15.393 -0.309 4.002 1.00 0.00 C ATOM 678 O PHE A 48 -14.614 0.451 4.583 1.00 0.00 O ATOM 679 CB PHE A 48 -16.051 1.147 2.119 1.00 0.00 C ATOM 680 CG PHE A 48 -16.983 1.362 0.969 1.00 0.00 C ATOM 681 CD1 PHE A 48 -17.931 2.368 1.003 1.00 0.00 C ATOM 682 CD2 PHE A 48 -16.883 0.576 -0.162 1.00 0.00 C ATOM 683 CE1 PHE A 48 -18.766 2.585 -0.076 1.00 0.00 C ATOM 684 CE2 PHE A 48 -17.715 0.781 -1.242 1.00 0.00 C ATOM 685 CZ PHE A 48 -18.656 1.786 -1.201 1.00 0.00 C ATOM 0 H PHE A 48 -17.162 1.995 4.243 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.181 -0.554 2.820 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -15.794 2.118 2.542 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -15.127 0.711 1.739 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -18.020 2.990 1.881 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -16.143 -0.210 -0.201 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -19.502 3.375 -0.042 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -17.629 0.155 -2.118 1.00 0.00 H new ATOM 0 HZ PHE A 48 -19.308 1.951 -2.046 1.00 0.00 H new ATOM 695 N SER A 49 -15.233 -1.627 3.982 1.00 0.00 N ATOM 696 CA SER A 49 -14.106 -2.243 4.657 1.00 0.00 C ATOM 697 C SER A 49 -13.022 -2.571 3.655 1.00 0.00 C ATOM 698 O SER A 49 -13.224 -3.340 2.719 1.00 0.00 O ATOM 699 CB SER A 49 -14.503 -3.497 5.420 1.00 0.00 C ATOM 700 OG SER A 49 -15.858 -3.836 5.192 1.00 0.00 O ATOM 0 H SER A 49 -15.861 -2.279 3.512 1.00 0.00 H new ATOM 0 HA SER A 49 -13.732 -1.524 5.386 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.864 -4.326 5.117 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.340 -3.342 6.487 1.00 0.00 H new ATOM 0 HG SER A 49 -16.039 -4.726 5.561 1.00 0.00 H new ATOM 706 N VAL A 50 -11.875 -1.971 3.867 1.00 0.00 N ATOM 707 CA VAL A 50 -10.731 -2.171 2.989 1.00 0.00 C ATOM 708 C VAL A 50 -9.557 -2.748 3.765 1.00 0.00 C ATOM 709 O VAL A 50 -9.428 -2.516 4.964 1.00 0.00 O ATOM 710 CB VAL A 50 -10.286 -0.852 2.322 1.00 0.00 C ATOM 711 CG1 VAL A 50 -9.620 -1.130 0.982 1.00 0.00 C ATOM 712 CG2 VAL A 50 -11.464 0.097 2.148 1.00 0.00 C ATOM 0 H VAL A 50 -11.702 -1.334 4.645 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.044 -2.869 2.213 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.560 -0.370 2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.313 -0.189 0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.745 -1.762 1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.325 -1.639 0.324 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.122 1.018 1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.221 -0.374 1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.893 0.327 3.123 1.00 0.00 H new ATOM 716 N GLU A 51 -8.704 -3.496 3.075 1.00 0.00 N ATOM 717 CA GLU A 51 -7.538 -4.101 3.702 1.00 0.00 C ATOM 718 C GLU A 51 -6.411 -4.257 2.689 1.00 0.00 C ATOM 719 O GLU A 51 -6.640 -4.642 1.544 1.00 0.00 O ATOM 720 CB GLU A 51 -7.912 -5.455 4.313 1.00 0.00 C ATOM 721 CG GLU A 51 -6.725 -6.368 4.588 1.00 0.00 C ATOM 722 CD GLU A 51 -6.838 -7.097 5.913 1.00 0.00 C ATOM 723 OE1 GLU A 51 -7.548 -6.596 6.809 1.00 0.00 O ATOM 724 OE2 GLU A 51 -6.215 -8.171 6.055 1.00 0.00 O ATOM 0 H GLU A 51 -8.799 -3.698 2.080 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.188 -3.447 4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.447 -5.283 5.247 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.600 -5.966 3.640 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.640 -7.098 3.783 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.809 -5.777 4.581 1.00 0.00 H new ATOM 731 N ALA A 52 -5.195 -3.952 3.119 1.00 0.00 N ATOM 732 CA ALA A 52 -4.029 -4.056 2.251 1.00 0.00 C ATOM 733 C ALA A 52 -2.976 -4.973 2.860 1.00 0.00 C ATOM 734 O ALA A 52 -2.937 -5.169 4.074 1.00 0.00 O ATOM 735 CB ALA A 52 -3.443 -2.678 1.988 1.00 0.00 C ATOM 0 H ALA A 52 -4.989 -3.630 4.065 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.348 -4.489 1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.573 -2.771 1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.192 -2.050 1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.144 -2.223 2.932 1.00 0.00 H new ATOM 741 N SER A 53 -2.124 -5.533 2.009 1.00 0.00 N ATOM 742 CA SER A 53 -1.070 -6.429 2.465 1.00 0.00 C ATOM 743 C SER A 53 0.133 -6.377 1.530 1.00 0.00 C ATOM 744 O SER A 53 0.085 -6.888 0.411 1.00 0.00 O ATOM 745 CB SER A 53 -1.593 -7.863 2.563 1.00 0.00 C ATOM 746 OG SER A 53 -2.417 -8.182 1.456 1.00 0.00 O ATOM 0 H SER A 53 -2.143 -5.382 1.000 1.00 0.00 H new ATOM 0 HA SER A 53 -0.753 -6.098 3.454 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.754 -8.557 2.608 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.157 -7.985 3.488 1.00 0.00 H new ATOM 0 HG SER A 53 -2.737 -9.104 1.541 1.00 0.00 H new ATOM 752 N ILE A 54 1.210 -5.757 1.997 1.00 0.00 N ATOM 753 CA ILE A 54 2.427 -5.637 1.206 1.00 0.00 C ATOM 754 C ILE A 54 3.642 -6.100 2.002 1.00 0.00 C ATOM 755 O ILE A 54 3.742 -5.844 3.200 1.00 0.00 O ATOM 756 CB ILE A 54 2.656 -4.184 0.740 1.00 0.00 C ATOM 757 CG1 ILE A 54 1.388 -3.623 0.092 1.00 0.00 C ATOM 758 CG2 ILE A 54 3.827 -4.118 -0.229 1.00 0.00 C ATOM 759 CD1 ILE A 54 1.535 -2.197 -0.403 1.00 0.00 C ATOM 0 H ILE A 54 1.265 -5.329 2.921 1.00 0.00 H new ATOM 0 HA ILE A 54 2.301 -6.274 0.331 1.00 0.00 H new ATOM 0 HB ILE A 54 2.894 -3.573 1.611 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.106 -4.261 -0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.573 -3.665 0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.977 -3.087 -0.549 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.729 -4.479 0.265 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.616 -4.741 -1.098 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.597 -1.868 -0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.786 -1.545 0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.328 -2.151 -1.150 1.00 0.00 H new ATOM 763 N GLY A 55 4.569 -6.773 1.329 1.00 0.00 N ATOM 764 CA GLY A 55 5.762 -7.245 1.988 1.00 0.00 C ATOM 765 C GLY A 55 6.902 -6.281 1.833 1.00 0.00 C ATOM 766 O GLY A 55 7.035 -5.615 0.809 1.00 0.00 O ATOM 0 H GLY A 55 4.511 -6.998 0.336 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.556 -7.397 3.047 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.046 -8.213 1.576 1.00 0.00 H new ATOM 770 N THR A 56 7.721 -6.213 2.856 1.00 0.00 N ATOM 771 CA THR A 56 8.876 -5.325 2.849 1.00 0.00 C ATOM 772 C THR A 56 10.088 -6.000 3.478 1.00 0.00 C ATOM 773 O THR A 56 9.966 -6.660 4.510 1.00 0.00 O ATOM 774 CB THR A 56 8.592 -4.017 3.596 1.00 0.00 C ATOM 775 OG1 THR A 56 9.284 -3.985 4.838 1.00 0.00 O ATOM 776 CG2 THR A 56 7.123 -3.773 3.869 1.00 0.00 C ATOM 0 H THR A 56 7.614 -6.761 3.710 1.00 0.00 H new ATOM 0 HA THR A 56 9.086 -5.095 1.805 1.00 0.00 H new ATOM 0 HB THR A 56 8.943 -3.229 2.930 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.696 -4.316 5.549 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.004 -2.829 4.400 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.580 -3.729 2.925 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.726 -4.585 4.479 1.00 0.00 H new ATOM 781 N PRO A 57 11.289 -5.825 2.895 1.00 0.00 N ATOM 782 CA PRO A 57 12.504 -6.407 3.460 1.00 0.00 C ATOM 783 C PRO A 57 12.707 -5.951 4.902 1.00 0.00 C ATOM 784 O PRO A 57 13.469 -6.555 5.658 1.00 0.00 O ATOM 785 CB PRO A 57 13.629 -5.862 2.576 1.00 0.00 C ATOM 786 CG PRO A 57 12.966 -5.436 1.313 1.00 0.00 C ATOM 787 CD PRO A 57 11.562 -5.035 1.679 1.00 0.00 C ATOM 0 HA PRO A 57 12.467 -7.496 3.480 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.136 -5.025 3.056 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.384 -6.625 2.386 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.500 -4.603 0.857 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.960 -6.248 0.586 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.486 -3.964 1.869 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.856 -5.268 0.881 1.00 0.00 H new ATOM 795 N LEU A 58 12.012 -4.875 5.271 1.00 0.00 N ATOM 796 CA LEU A 58 12.103 -4.323 6.613 1.00 0.00 C ATOM 797 C LEU A 58 10.971 -4.859 7.494 1.00 0.00 C ATOM 798 O LEU A 58 10.874 -4.522 8.674 1.00 0.00 O ATOM 799 CB LEU A 58 12.067 -2.793 6.541 1.00 0.00 C ATOM 800 CG LEU A 58 13.240 -2.156 5.776 1.00 0.00 C ATOM 801 CD1 LEU A 58 12.762 -1.467 4.499 1.00 0.00 C ATOM 802 CD2 LEU A 58 13.984 -1.171 6.666 1.00 0.00 C ATOM 0 H LEU A 58 11.378 -4.370 4.652 1.00 0.00 H new ATOM 0 HA LEU A 58 13.046 -4.630 7.064 1.00 0.00 H new ATOM 0 HB2 LEU A 58 11.134 -2.487 6.068 1.00 0.00 H new ATOM 0 HB3 LEU A 58 12.055 -2.396 7.556 1.00 0.00 H new ATOM 0 HG LEU A 58 13.924 -2.954 5.489 1.00 0.00 H new ATOM 0 HD11 LEU A 58 13.615 -1.027 3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 58 12.281 -2.198 3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.048 -0.683 4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.811 -0.730 6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.302 -0.384 6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 58 14.373 -1.693 7.540 1.00 0.00 H new ATOM 808 N GLY A 59 10.126 -5.707 6.905 1.00 0.00 N ATOM 809 CA GLY A 59 9.017 -6.298 7.629 1.00 0.00 C ATOM 810 C GLY A 59 7.718 -6.232 6.853 1.00 0.00 C ATOM 811 O GLY A 59 7.355 -5.182 6.328 1.00 0.00 O ATOM 0 H GLY A 59 10.195 -5.995 5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.249 -7.339 7.856 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.894 -5.784 8.582 1.00 0.00 H new ATOM 815 N ASN A 60 7.017 -7.361 6.780 1.00 0.00 N ATOM 816 CA ASN A 60 5.749 -7.434 6.063 1.00 0.00 C ATOM 817 C ASN A 60 4.844 -6.269 6.449 1.00 0.00 C ATOM 818 O ASN A 60 5.142 -5.525 7.384 1.00 0.00 O ATOM 819 CB ASN A 60 5.049 -8.758 6.364 1.00 0.00 C ATOM 820 CG ASN A 60 5.879 -9.960 5.961 1.00 0.00 C ATOM 821 OD1 ASN A 60 7.061 -9.833 5.639 1.00 0.00 O ATOM 822 ND2 ASN A 60 5.264 -11.138 5.979 1.00 0.00 N ATOM 0 H ASN A 60 7.308 -8.239 7.210 1.00 0.00 H new ATOM 0 HA ASN A 60 5.956 -7.374 4.994 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.828 -8.814 7.430 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.094 -8.788 5.839 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.773 -11.983 5.719 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.283 -11.197 6.252 1.00 0.00 H new ATOM 827 N LEU A 61 3.742 -6.107 5.726 1.00 0.00 N ATOM 828 CA LEU A 61 2.817 -5.019 6.009 1.00 0.00 C ATOM 829 C LEU A 61 1.378 -5.402 5.699 1.00 0.00 C ATOM 830 O LEU A 61 1.093 -6.067 4.704 1.00 0.00 O ATOM 831 CB LEU A 61 3.206 -3.778 5.210 1.00 0.00 C ATOM 832 CG LEU A 61 3.776 -2.628 6.038 1.00 0.00 C ATOM 833 CD1 LEU A 61 5.268 -2.819 6.266 1.00 0.00 C ATOM 834 CD2 LEU A 61 3.501 -1.303 5.347 1.00 0.00 C ATOM 0 H LEU A 61 3.470 -6.708 4.948 1.00 0.00 H new ATOM 0 HA LEU A 61 2.882 -4.804 7.076 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.942 -4.064 4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.327 -3.419 4.674 1.00 0.00 H new ATOM 0 HG LEU A 61 3.286 -2.621 7.012 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.655 -1.989 6.858 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.438 -3.755 6.799 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.782 -2.850 5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.911 -0.489 5.945 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.969 -1.302 4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.425 -1.166 5.237 1.00 0.00 H new ATOM 840 N LEU A 62 0.480 -4.945 6.562 1.00 0.00 N ATOM 841 CA LEU A 62 -0.945 -5.194 6.419 1.00 0.00 C ATOM 842 C LEU A 62 -1.724 -3.979 6.904 1.00 0.00 C ATOM 843 O LEU A 62 -1.226 -3.193 7.708 1.00 0.00 O ATOM 844 CB LEU A 62 -1.385 -6.424 7.225 1.00 0.00 C ATOM 845 CG LEU A 62 -0.557 -7.700 7.027 1.00 0.00 C ATOM 846 CD1 LEU A 62 -0.466 -8.064 5.552 1.00 0.00 C ATOM 847 CD2 LEU A 62 0.829 -7.546 7.639 1.00 0.00 C ATOM 0 H LEU A 62 0.722 -4.390 7.383 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.149 -5.382 5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.365 -6.164 8.283 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.421 -6.646 6.971 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.063 -8.516 7.543 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.126 -8.972 5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.468 -8.231 5.156 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.009 -7.250 5.005 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.398 -8.463 7.486 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.347 -6.714 7.162 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.735 -7.351 8.707 1.00 0.00 H new ATOM 853 N ALA A 63 -2.944 -3.835 6.423 1.00 0.00 N ATOM 854 CA ALA A 63 -3.793 -2.719 6.818 1.00 0.00 C ATOM 855 C ALA A 63 -5.261 -3.053 6.595 1.00 0.00 C ATOM 856 O ALA A 63 -5.590 -3.946 5.816 1.00 0.00 O ATOM 857 CB ALA A 63 -3.409 -1.460 6.056 1.00 0.00 C ATOM 0 H ALA A 63 -3.373 -4.477 5.756 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.643 -2.536 7.882 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.054 -0.637 6.364 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.371 -1.207 6.271 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.527 -1.632 4.986 1.00 0.00 H new ATOM 863 N SER A 64 -6.139 -2.332 7.282 1.00 0.00 N ATOM 864 CA SER A 64 -7.574 -2.559 7.154 1.00 0.00 C ATOM 865 C SER A 64 -8.365 -1.451 7.845 1.00 0.00 C ATOM 866 O SER A 64 -7.946 -0.930 8.878 1.00 0.00 O ATOM 867 CB SER A 64 -7.956 -3.920 7.744 1.00 0.00 C ATOM 868 OG SER A 64 -6.832 -4.564 8.320 1.00 0.00 O ATOM 0 H SER A 64 -5.884 -1.588 7.931 1.00 0.00 H new ATOM 0 HA SER A 64 -7.822 -2.551 6.093 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.729 -3.787 8.501 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.379 -4.552 6.963 1.00 0.00 H new ATOM 0 HG SER A 64 -6.753 -5.471 7.958 1.00 0.00 H new ATOM 874 N ALA A 65 -9.512 -1.094 7.271 1.00 0.00 N ATOM 875 CA ALA A 65 -10.354 -0.047 7.842 1.00 0.00 C ATOM 876 C ALA A 65 -11.764 -0.072 7.256 1.00 0.00 C ATOM 877 O ALA A 65 -11.958 -0.414 6.089 1.00 0.00 O ATOM 878 CB ALA A 65 -9.715 1.316 7.621 1.00 0.00 C ATOM 0 H ALA A 65 -9.878 -1.512 6.416 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.439 -0.236 8.912 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.351 2.090 8.051 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.737 1.342 8.102 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.598 1.494 6.552 1.00 0.00 H new ATOM 884 N THR A 66 -12.741 0.299 8.080 1.00 0.00 N ATOM 885 CA THR A 66 -14.141 0.333 7.661 1.00 0.00 C ATOM 886 C THR A 66 -14.694 1.749 7.761 1.00 0.00 C ATOM 887 O THR A 66 -14.960 2.242 8.856 1.00 0.00 O ATOM 888 CB THR A 66 -14.982 -0.604 8.530 1.00 0.00 C ATOM 889 OG1 THR A 66 -14.461 -1.921 8.504 1.00 0.00 O ATOM 890 CG2 THR A 66 -16.433 -0.669 8.102 1.00 0.00 C ATOM 0 H THR A 66 -12.588 0.582 9.048 1.00 0.00 H new ATOM 0 HA THR A 66 -14.192 0.002 6.624 1.00 0.00 H new ATOM 0 HB THR A 66 -14.935 -0.187 9.536 1.00 0.00 H new ATOM 0 HG1 THR A 66 -15.013 -2.502 9.068 1.00 0.00 H new ATOM 0 HG21 THR A 66 -16.976 -1.350 8.758 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.876 0.325 8.165 1.00 0.00 H new ATOM 0 HG23 THR A 66 -16.494 -1.029 7.075 1.00 0.00 H new ATOM 895 N SER A 67 -14.860 2.404 6.618 1.00 0.00 N ATOM 896 CA SER A 67 -15.373 3.764 6.598 1.00 0.00 C ATOM 897 C SER A 67 -16.438 3.940 5.527 1.00 0.00 C ATOM 898 O SER A 67 -16.380 3.315 4.470 1.00 0.00 O ATOM 899 CB SER A 67 -14.231 4.747 6.358 1.00 0.00 C ATOM 900 OG SER A 67 -13.043 4.072 5.988 1.00 0.00 O ATOM 0 H SER A 67 -14.648 2.016 5.699 1.00 0.00 H new ATOM 0 HA SER A 67 -15.831 3.965 7.567 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.512 5.450 5.574 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.054 5.331 7.261 1.00 0.00 H new ATOM 0 HG SER A 67 -12.390 4.135 6.716 1.00 0.00 H new ATOM 906 N ASP A 68 -17.401 4.812 5.801 1.00 0.00 N ATOM 907 CA ASP A 68 -18.469 5.087 4.855 1.00 0.00 C ATOM 908 C ASP A 68 -17.918 5.793 3.621 1.00 0.00 C ATOM 909 O ASP A 68 -18.598 5.902 2.600 1.00 0.00 O ATOM 910 CB ASP A 68 -19.549 5.947 5.512 1.00 0.00 C ATOM 911 CG ASP A 68 -18.973 7.152 6.230 1.00 0.00 C ATOM 912 OD1 ASP A 68 -18.084 6.963 7.087 1.00 0.00 O ATOM 913 OD2 ASP A 68 -19.411 8.284 5.935 1.00 0.00 O ATOM 0 H ASP A 68 -17.462 5.340 6.672 1.00 0.00 H new ATOM 0 HA ASP A 68 -18.911 4.139 4.547 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -20.254 6.284 4.752 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -20.111 5.340 6.221 1.00 0.00 H new ATOM 918 N ASP A 69 -16.681 6.271 3.723 1.00 0.00 N ATOM 919 CA ASP A 69 -16.038 6.967 2.621 1.00 0.00 C ATOM 920 C ASP A 69 -15.002 6.077 1.941 1.00 0.00 C ATOM 921 O ASP A 69 -13.885 5.920 2.426 1.00 0.00 O ATOM 922 CB ASP A 69 -15.381 8.247 3.128 1.00 0.00 C ATOM 923 CG ASP A 69 -16.301 9.449 3.029 1.00 0.00 C ATOM 924 OD1 ASP A 69 -16.431 10.007 1.919 1.00 0.00 O ATOM 925 OD2 ASP A 69 -16.889 9.834 4.062 1.00 0.00 O ATOM 0 H ASP A 69 -16.106 6.187 4.561 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.800 7.222 1.885 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.078 8.110 4.166 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.475 8.439 2.554 1.00 0.00 H new ATOM 930 N MET A 70 -15.400 5.493 0.817 1.00 0.00 N ATOM 931 CA MET A 70 -14.549 4.602 0.033 1.00 0.00 C ATOM 932 C MET A 70 -13.087 5.055 -0.021 1.00 0.00 C ATOM 933 O MET A 70 -12.202 4.407 0.548 1.00 0.00 O ATOM 934 CB MET A 70 -15.113 4.515 -1.388 1.00 0.00 C ATOM 935 CG MET A 70 -15.710 3.158 -1.724 1.00 0.00 C ATOM 936 SD MET A 70 -14.990 2.428 -3.205 1.00 0.00 S ATOM 937 CE MET A 70 -13.508 1.696 -2.518 1.00 0.00 C ATOM 0 H MET A 70 -16.330 5.625 0.420 1.00 0.00 H new ATOM 0 HA MET A 70 -14.553 3.628 0.522 1.00 0.00 H new ATOM 0 HB2 MET A 70 -15.879 5.281 -1.513 1.00 0.00 H new ATOM 0 HB3 MET A 70 -14.318 4.739 -2.100 1.00 0.00 H new ATOM 0 HG2 MET A 70 -15.562 2.482 -0.882 1.00 0.00 H new ATOM 0 HG3 MET A 70 -16.786 3.263 -1.862 1.00 0.00 H new ATOM 0 HE1 MET A 70 -13.288 0.764 -3.038 1.00 0.00 H new ATOM 0 HE2 MET A 70 -12.672 2.385 -2.639 1.00 0.00 H new ATOM 0 HE3 MET A 70 -13.660 1.492 -1.458 1.00 0.00 H new ATOM 947 N TYR A 71 -12.833 6.149 -0.729 1.00 0.00 N ATOM 948 CA TYR A 71 -11.475 6.649 -0.882 1.00 0.00 C ATOM 949 C TYR A 71 -10.871 7.074 0.442 1.00 0.00 C ATOM 950 O TYR A 71 -9.659 7.000 0.611 1.00 0.00 O ATOM 951 CB TYR A 71 -11.422 7.769 -1.918 1.00 0.00 C ATOM 952 CG TYR A 71 -11.104 7.240 -3.302 1.00 0.00 C ATOM 953 CD1 TYR A 71 -11.363 5.910 -3.623 1.00 0.00 C ATOM 954 CD2 TYR A 71 -10.541 8.050 -4.277 1.00 0.00 C ATOM 955 CE1 TYR A 71 -11.071 5.404 -4.868 1.00 0.00 C ATOM 956 CE2 TYR A 71 -10.246 7.551 -5.534 1.00 0.00 C ATOM 957 CZ TYR A 71 -10.512 6.227 -5.824 1.00 0.00 C ATOM 958 OH TYR A 71 -10.223 5.729 -7.073 1.00 0.00 O ATOM 0 H TYR A 71 -13.546 6.703 -1.203 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.861 5.827 -1.250 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -12.379 8.290 -1.939 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.667 8.499 -1.626 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.802 5.262 -2.879 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.330 9.085 -4.052 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.278 4.369 -5.096 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.810 8.194 -6.284 1.00 0.00 H new ATOM 0 HH TYR A 71 -10.681 4.872 -7.197 1.00 0.00 H new ATOM 968 N LYS A 72 -11.707 7.473 1.393 1.00 0.00 N ATOM 969 CA LYS A 72 -11.208 7.847 2.708 1.00 0.00 C ATOM 970 C LYS A 72 -10.782 6.586 3.447 1.00 0.00 C ATOM 971 O LYS A 72 -9.776 6.570 4.149 1.00 0.00 O ATOM 972 CB LYS A 72 -12.260 8.573 3.505 1.00 0.00 C ATOM 973 CG LYS A 72 -11.739 9.180 4.800 1.00 0.00 C ATOM 974 CD LYS A 72 -11.873 10.695 4.802 1.00 0.00 C ATOM 975 CE LYS A 72 -11.306 11.303 6.075 1.00 0.00 C ATOM 976 NZ LYS A 72 -11.874 12.651 6.348 1.00 0.00 N ATOM 0 H LYS A 72 -12.718 7.545 1.280 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.359 8.520 2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.687 9.365 2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.068 7.880 3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.289 8.764 5.644 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.693 8.907 4.936 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.354 11.108 3.937 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.924 10.969 4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.516 10.643 6.917 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.222 11.376 5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.462 13.031 7.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.652 13.288 5.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.906 12.578 6.454 1.00 0.00 H new ATOM 990 N ALA A 73 -11.547 5.510 3.244 1.00 0.00 N ATOM 991 CA ALA A 73 -11.227 4.226 3.848 1.00 0.00 C ATOM 992 C ALA A 73 -9.889 3.787 3.296 1.00 0.00 C ATOM 993 O ALA A 73 -8.967 3.442 4.038 1.00 0.00 O ATOM 994 CB ALA A 73 -12.306 3.197 3.540 1.00 0.00 C ATOM 0 H ALA A 73 -12.388 5.508 2.667 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.178 4.318 4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.044 2.245 4.002 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.261 3.542 3.936 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.386 3.066 2.461 1.00 0.00 H new ATOM 1000 N ILE A 74 -9.777 3.890 1.976 1.00 0.00 N ATOM 1001 CA ILE A 74 -8.532 3.594 1.295 1.00 0.00 C ATOM 1002 C ILE A 74 -7.501 4.601 1.788 1.00 0.00 C ATOM 1003 O ILE A 74 -6.329 4.279 2.005 1.00 0.00 O ATOM 1004 CB ILE A 74 -8.722 3.693 -0.237 1.00 0.00 C ATOM 1005 CG1 ILE A 74 -9.343 2.399 -0.757 1.00 0.00 C ATOM 1006 CG2 ILE A 74 -7.413 3.981 -0.960 1.00 0.00 C ATOM 1007 CD1 ILE A 74 -10.685 2.592 -1.419 1.00 0.00 C ATOM 0 H ILE A 74 -10.537 4.177 1.360 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.199 2.579 1.510 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.389 4.531 -0.440 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.659 1.939 -1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.454 1.701 0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.596 4.042 -2.033 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.003 4.928 -0.607 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.702 3.180 -0.758 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -11.063 1.629 -1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -11.385 3.022 -0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -10.577 3.264 -2.270 1.00 0.00 H new ATOM 1011 N ASN A 75 -7.995 5.816 2.012 1.00 0.00 N ATOM 1012 CA ASN A 75 -7.207 6.909 2.536 1.00 0.00 C ATOM 1013 C ASN A 75 -6.636 6.512 3.890 1.00 0.00 C ATOM 1014 O ASN A 75 -5.477 6.789 4.202 1.00 0.00 O ATOM 1015 CB ASN A 75 -8.119 8.133 2.654 1.00 0.00 C ATOM 1016 CG ASN A 75 -7.401 9.422 2.365 1.00 0.00 C ATOM 1017 OD1 ASN A 75 -6.659 9.943 3.198 1.00 0.00 O ATOM 1018 ND2 ASN A 75 -7.626 9.942 1.171 1.00 0.00 N ATOM 0 H ASN A 75 -8.967 6.064 1.830 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.372 7.146 1.877 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.956 8.025 1.964 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.538 8.173 3.659 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.175 10.817 0.902 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.251 9.469 0.518 1.00 0.00 H new ATOM 1023 N GLU A 76 -7.466 5.834 4.676 1.00 0.00 N ATOM 1024 CA GLU A 76 -7.070 5.353 5.992 1.00 0.00 C ATOM 1025 C GLU A 76 -6.074 4.202 5.856 1.00 0.00 C ATOM 1026 O GLU A 76 -4.968 4.254 6.401 1.00 0.00 O ATOM 1027 CB GLU A 76 -8.305 4.895 6.774 1.00 0.00 C ATOM 1028 CG GLU A 76 -8.492 5.620 8.096 1.00 0.00 C ATOM 1029 CD GLU A 76 -9.507 6.742 8.008 1.00 0.00 C ATOM 1030 OE1 GLU A 76 -10.716 6.444 7.915 1.00 0.00 O ATOM 1031 OE2 GLU A 76 -9.092 7.921 8.030 1.00 0.00 O ATOM 0 H GLU A 76 -8.426 5.604 4.420 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.589 6.166 6.536 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.191 5.046 6.158 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.228 3.824 6.964 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.810 4.906 8.856 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.534 6.026 8.422 1.00 0.00 H new ATOM 1038 N VAL A 77 -6.466 3.166 5.107 1.00 0.00 N ATOM 1039 CA VAL A 77 -5.600 2.012 4.883 1.00 0.00 C ATOM 1040 C VAL A 77 -4.213 2.461 4.468 1.00 0.00 C ATOM 1041 O VAL A 77 -3.212 2.066 5.067 1.00 0.00 O ATOM 1042 CB VAL A 77 -6.150 1.086 3.785 1.00 0.00 C ATOM 1043 CG1 VAL A 77 -5.404 -0.240 3.777 1.00 0.00 C ATOM 1044 CG2 VAL A 77 -7.639 0.870 3.968 1.00 0.00 C ATOM 0 H VAL A 77 -7.375 3.106 4.648 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.560 1.465 5.825 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.993 1.566 2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.809 -0.880 2.993 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.345 -0.061 3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.523 -0.730 4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.011 0.212 3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.824 0.414 4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.155 1.828 3.913 1.00 0.00 H new ATOM 1048 N GLU A 78 -4.163 3.297 3.438 1.00 0.00 N ATOM 1049 CA GLU A 78 -2.898 3.806 2.947 1.00 0.00 C ATOM 1050 C GLU A 78 -2.151 4.514 4.069 1.00 0.00 C ATOM 1051 O GLU A 78 -0.923 4.473 4.135 1.00 0.00 O ATOM 1052 CB GLU A 78 -3.116 4.758 1.770 1.00 0.00 C ATOM 1053 CG GLU A 78 -1.838 5.105 1.022 1.00 0.00 C ATOM 1054 CD GLU A 78 -1.302 3.942 0.211 1.00 0.00 C ATOM 1055 OE1 GLU A 78 -1.725 2.795 0.464 1.00 0.00 O ATOM 1056 OE2 GLU A 78 -0.457 4.180 -0.679 1.00 0.00 O ATOM 0 H GLU A 78 -4.982 3.633 2.932 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.299 2.965 2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.823 4.306 1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.573 5.677 2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.028 5.949 0.358 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.079 5.425 1.736 1.00 0.00 H new ATOM 1063 N GLU A 79 -2.906 5.146 4.962 1.00 0.00 N ATOM 1064 CA GLU A 79 -2.317 5.841 6.094 1.00 0.00 C ATOM 1065 C GLU A 79 -1.698 4.833 7.052 1.00 0.00 C ATOM 1066 O GLU A 79 -0.604 5.049 7.575 1.00 0.00 O ATOM 1067 CB GLU A 79 -3.372 6.686 6.816 1.00 0.00 C ATOM 1068 CG GLU A 79 -3.215 8.180 6.586 1.00 0.00 C ATOM 1069 CD GLU A 79 -2.588 8.888 7.770 1.00 0.00 C ATOM 1070 OE1 GLU A 79 -3.288 9.084 8.786 1.00 0.00 O ATOM 1071 OE2 GLU A 79 -1.395 9.250 7.681 1.00 0.00 O ATOM 0 H GLU A 79 -3.924 5.189 4.921 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.537 6.510 5.729 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.363 6.378 6.483 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.318 6.484 7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.600 8.345 5.701 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.192 8.617 6.381 1.00 0.00 H new ATOM 1078 N LYS A 80 -2.393 3.717 7.259 1.00 0.00 N ATOM 1079 CA LYS A 80 -1.890 2.667 8.135 1.00 0.00 C ATOM 1080 C LYS A 80 -0.669 2.013 7.499 1.00 0.00 C ATOM 1081 O LYS A 80 0.371 1.847 8.140 1.00 0.00 O ATOM 1082 CB LYS A 80 -2.974 1.619 8.402 1.00 0.00 C ATOM 1083 CG LYS A 80 -3.222 1.363 9.879 1.00 0.00 C ATOM 1084 CD LYS A 80 -4.645 0.892 10.132 1.00 0.00 C ATOM 1085 CE LYS A 80 -4.933 0.762 11.619 1.00 0.00 C ATOM 1086 NZ LYS A 80 -5.808 -0.406 11.917 1.00 0.00 N ATOM 0 H LYS A 80 -3.299 3.519 6.835 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.605 3.111 9.089 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.905 1.944 7.937 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.688 0.683 7.922 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.519 0.613 10.242 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.034 2.276 10.444 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.347 1.595 9.685 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.803 -0.070 9.644 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.994 0.660 12.163 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.411 1.674 11.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.980 -0.459 12.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.714 -0.297 11.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.341 -1.279 11.599 1.00 0.00 H new ATOM 1100 N LEU A 81 -0.803 1.660 6.223 1.00 0.00 N ATOM 1101 CA LEU A 81 0.287 1.040 5.483 1.00 0.00 C ATOM 1102 C LEU A 81 1.492 1.980 5.439 1.00 0.00 C ATOM 1103 O LEU A 81 2.628 1.562 5.679 1.00 0.00 O ATOM 1104 CB LEU A 81 -0.174 0.667 4.064 1.00 0.00 C ATOM 1105 CG LEU A 81 -0.030 -0.812 3.681 1.00 0.00 C ATOM 1106 CD1 LEU A 81 1.373 -1.089 3.167 1.00 0.00 C ATOM 1107 CD2 LEU A 81 -0.360 -1.721 4.860 1.00 0.00 C ATOM 0 H LEU A 81 -1.657 1.794 5.682 1.00 0.00 H new ATOM 0 HA LEU A 81 0.586 0.124 5.992 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.221 0.950 3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.393 1.264 3.350 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.743 -1.028 2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.461 -2.142 2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.567 -0.474 2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.099 -0.851 3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.249 -2.763 4.559 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.320 -1.508 5.685 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.387 -1.543 5.180 1.00 0.00 H new ATOM 1113 N GLU A 82 1.239 3.261 5.161 1.00 0.00 N ATOM 1114 CA GLU A 82 2.310 4.248 5.121 1.00 0.00 C ATOM 1115 C GLU A 82 2.917 4.407 6.507 1.00 0.00 C ATOM 1116 O GLU A 82 4.138 4.380 6.672 1.00 0.00 O ATOM 1117 CB GLU A 82 1.783 5.591 4.622 1.00 0.00 C ATOM 1118 CG GLU A 82 2.865 6.498 4.060 1.00 0.00 C ATOM 1119 CD GLU A 82 2.541 7.003 2.668 1.00 0.00 C ATOM 1120 OE1 GLU A 82 2.339 6.165 1.765 1.00 0.00 O ATOM 1121 OE2 GLU A 82 2.488 8.237 2.482 1.00 0.00 O ATOM 0 H GLU A 82 0.310 3.632 4.963 1.00 0.00 H new ATOM 0 HA GLU A 82 3.079 3.902 4.431 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.033 5.414 3.851 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.282 6.103 5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.003 7.349 4.728 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.810 5.956 4.034 1.00 0.00 H new ATOM 1128 N ARG A 83 2.051 4.551 7.506 1.00 0.00 N ATOM 1129 CA ARG A 83 2.501 4.688 8.886 1.00 0.00 C ATOM 1130 C ARG A 83 3.420 3.527 9.244 1.00 0.00 C ATOM 1131 O ARG A 83 4.528 3.724 9.748 1.00 0.00 O ATOM 1132 CB ARG A 83 1.304 4.727 9.840 1.00 0.00 C ATOM 1133 CG ARG A 83 1.662 5.172 11.248 1.00 0.00 C ATOM 1134 CD ARG A 83 2.209 6.590 11.263 1.00 0.00 C ATOM 1135 NE ARG A 83 1.653 7.379 12.361 1.00 0.00 N ATOM 1136 CZ ARG A 83 2.015 8.631 12.631 1.00 0.00 C ATOM 1137 NH1 ARG A 83 2.932 9.239 11.887 1.00 0.00 N ATOM 1138 NH2 ARG A 83 1.460 9.278 13.647 1.00 0.00 N ATOM 0 H ARG A 83 1.038 4.576 7.386 1.00 0.00 H new ATOM 0 HA ARG A 83 3.050 5.624 8.986 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.550 5.402 9.436 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.853 3.735 9.885 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.779 5.115 11.884 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.402 4.491 11.669 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.295 6.559 11.352 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.981 7.077 10.315 1.00 0.00 H new ATOM 0 HE ARG A 83 0.946 6.945 12.955 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.362 8.746 11.104 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.206 10.199 12.098 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.755 8.816 14.222 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.738 10.237 13.853 1.00 0.00 H new ATOM 1152 N GLN A 84 2.961 2.312 8.949 1.00 0.00 N ATOM 1153 CA GLN A 84 3.755 1.122 9.212 1.00 0.00 C ATOM 1154 C GLN A 84 5.064 1.207 8.434 1.00 0.00 C ATOM 1155 O GLN A 84 6.138 0.897 8.960 1.00 0.00 O ATOM 1156 CB GLN A 84 2.979 -0.137 8.828 1.00 0.00 C ATOM 1157 CG GLN A 84 2.013 -0.602 9.905 1.00 0.00 C ATOM 1158 CD GLN A 84 1.196 -1.804 9.479 1.00 0.00 C ATOM 1159 OE1 GLN A 84 1.731 -2.895 9.281 1.00 0.00 O ATOM 1160 NE2 GLN A 84 -0.109 -1.610 9.335 1.00 0.00 N ATOM 0 H GLN A 84 2.049 2.130 8.530 1.00 0.00 H new ATOM 0 HA GLN A 84 3.976 1.066 10.278 1.00 0.00 H new ATOM 0 HB2 GLN A 84 2.424 0.053 7.910 1.00 0.00 H new ATOM 0 HB3 GLN A 84 3.685 -0.939 8.613 1.00 0.00 H new ATOM 0 HG2 GLN A 84 2.573 -0.850 10.807 1.00 0.00 H new ATOM 0 HG3 GLN A 84 1.341 0.216 10.162 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.510 -0.689 9.510 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.711 -2.382 9.050 1.00 0.00 H new ATOM 1167 N LEU A 85 4.972 1.678 7.187 1.00 0.00 N ATOM 1168 CA LEU A 85 6.157 1.853 6.354 1.00 0.00 C ATOM 1169 C LEU A 85 7.153 2.730 7.103 1.00 0.00 C ATOM 1170 O LEU A 85 8.329 2.382 7.257 1.00 0.00 O ATOM 1171 CB LEU A 85 5.784 2.507 5.017 1.00 0.00 C ATOM 1172 CG LEU A 85 5.744 1.563 3.811 1.00 0.00 C ATOM 1173 CD1 LEU A 85 4.441 1.738 3.041 1.00 0.00 C ATOM 1174 CD2 LEU A 85 6.940 1.807 2.898 1.00 0.00 C ATOM 0 H LEU A 85 4.095 1.942 6.738 1.00 0.00 H new ATOM 0 HA LEU A 85 6.600 0.880 6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.806 2.976 5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.499 3.303 4.810 1.00 0.00 H new ATOM 0 HG LEU A 85 5.795 0.537 4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.429 1.060 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.599 1.513 3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.362 2.766 2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.893 1.127 2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.921 2.837 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.862 1.632 3.452 1.00 0.00 H new ATOM 1180 N ASN A 86 6.650 3.860 7.601 1.00 0.00 N ATOM 1181 CA ASN A 86 7.467 4.782 8.373 1.00 0.00 C ATOM 1182 C ASN A 86 8.009 4.068 9.601 1.00 0.00 C ATOM 1183 O ASN A 86 9.125 4.332 10.042 1.00 0.00 O ATOM 1184 CB ASN A 86 6.650 6.012 8.780 1.00 0.00 C ATOM 1185 CG ASN A 86 7.529 7.178 9.189 1.00 0.00 C ATOM 1186 OD1 ASN A 86 8.755 7.084 9.167 1.00 0.00 O ATOM 1187 ND2 ASN A 86 6.902 8.287 9.566 1.00 0.00 N ATOM 0 H ASN A 86 5.681 4.154 7.481 1.00 0.00 H new ATOM 0 HA ASN A 86 8.302 5.122 7.760 1.00 0.00 H new ATOM 0 HB2 ASN A 86 6.014 6.314 7.948 1.00 0.00 H new ATOM 0 HB3 ASN A 86 5.990 5.750 9.607 1.00 0.00 H new ATOM 0 HD21 ASN A 86 7.440 9.105 9.852 1.00 0.00 H new ATOM 0 HD22 ASN A 86 5.883 8.321 9.569 1.00 0.00 H new ATOM 1192 N LYS A 87 7.221 3.131 10.126 1.00 0.00 N ATOM 1193 CA LYS A 87 7.649 2.348 11.275 1.00 0.00 C ATOM 1194 C LYS A 87 8.895 1.566 10.905 1.00 0.00 C ATOM 1195 O LYS A 87 9.901 1.601 11.614 1.00 0.00 O ATOM 1196 CB LYS A 87 6.551 1.379 11.714 1.00 0.00 C ATOM 1197 CG LYS A 87 6.151 1.528 13.171 1.00 0.00 C ATOM 1198 CD LYS A 87 6.954 0.600 14.068 1.00 0.00 C ATOM 1199 CE LYS A 87 7.135 1.188 15.459 1.00 0.00 C ATOM 1200 NZ LYS A 87 7.385 0.133 16.479 1.00 0.00 N ATOM 0 H LYS A 87 6.292 2.900 9.775 1.00 0.00 H new ATOM 0 HA LYS A 87 7.861 3.025 12.102 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.672 1.532 11.088 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.890 0.358 11.542 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.301 2.560 13.487 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.088 1.312 13.281 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.449 -0.363 14.142 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.930 0.415 13.620 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.969 1.890 15.451 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.245 1.754 15.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.503 0.574 17.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.578 -0.523 16.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.249 -0.391 16.232 1.00 0.00 H new ATOM 1214 N LEU A 88 8.824 0.872 9.771 1.00 0.00 N ATOM 1215 CA LEU A 88 9.958 0.099 9.294 1.00 0.00 C ATOM 1216 C LEU A 88 11.151 1.019 9.102 1.00 0.00 C ATOM 1217 O LEU A 88 12.219 0.806 9.676 1.00 0.00 O ATOM 1218 CB LEU A 88 9.639 -0.593 7.967 1.00 0.00 C ATOM 1219 CG LEU A 88 8.295 -1.318 7.900 1.00 0.00 C ATOM 1220 CD1 LEU A 88 8.199 -2.120 6.614 1.00 0.00 C ATOM 1221 CD2 LEU A 88 8.118 -2.223 9.105 1.00 0.00 C ATOM 0 H LEU A 88 7.999 0.832 9.173 1.00 0.00 H new ATOM 0 HA LEU A 88 10.185 -0.666 10.036 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.667 0.154 7.174 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.430 -1.313 7.755 1.00 0.00 H new ATOM 0 HG LEU A 88 7.497 -0.576 7.910 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.238 -2.633 6.576 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.287 -1.449 5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.004 -2.855 6.582 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.156 -2.731 9.040 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.918 -2.963 9.125 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.153 -1.626 10.016 1.00 0.00 H new ATOM 1227 N GLN A 89 10.946 2.056 8.298 1.00 0.00 N ATOM 1228 CA GLN A 89 11.997 3.034 8.035 1.00 0.00 C ATOM 1229 C GLN A 89 12.481 3.650 9.346 1.00 0.00 C ATOM 1230 O GLN A 89 13.628 4.083 9.459 1.00 0.00 O ATOM 1231 CB GLN A 89 11.492 4.139 7.100 1.00 0.00 C ATOM 1232 CG GLN A 89 10.877 3.627 5.809 1.00 0.00 C ATOM 1233 CD GLN A 89 10.918 4.654 4.705 1.00 0.00 C ATOM 1234 OE1 GLN A 89 11.426 5.760 4.886 1.00 0.00 O ATOM 1235 NE2 GLN A 89 10.381 4.291 3.552 1.00 0.00 N ATOM 0 H GLN A 89 10.065 2.242 7.818 1.00 0.00 H new ATOM 0 HA GLN A 89 12.827 2.520 7.550 1.00 0.00 H new ATOM 0 HB2 GLN A 89 10.751 4.738 7.630 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.323 4.801 6.856 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.408 2.731 5.488 1.00 0.00 H new ATOM 0 HG3 GLN A 89 9.843 3.336 5.993 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.971 3.362 3.450 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.376 4.940 2.765 1.00 0.00 H new ATOM 1242 N HIS A 90 11.591 3.677 10.336 1.00 0.00 N ATOM 1243 CA HIS A 90 11.907 4.228 11.648 1.00 0.00 C ATOM 1244 C HIS A 90 12.752 3.254 12.457 1.00 0.00 C ATOM 1245 O HIS A 90 13.928 3.502 12.723 1.00 0.00 O ATOM 1246 CB HIS A 90 10.616 4.528 12.414 1.00 0.00 C ATOM 1247 CG HIS A 90 10.026 5.869 12.103 1.00 0.00 C ATOM 1248 ND1 HIS A 90 10.791 6.976 11.799 1.00 0.00 N ATOM 1249 CD2 HIS A 90 8.737 6.279 12.051 1.00 0.00 C ATOM 1250 CE1 HIS A 90 9.997 8.008 11.575 1.00 0.00 C ATOM 1251 NE2 HIS A 90 8.747 7.611 11.721 1.00 0.00 N ATOM 0 H HIS A 90 10.639 3.320 10.251 1.00 0.00 H new ATOM 0 HA HIS A 90 12.472 5.148 11.500 1.00 0.00 H new ATOM 0 HB2 HIS A 90 9.881 3.756 12.185 1.00 0.00 H new ATOM 0 HB3 HIS A 90 10.817 4.469 13.484 1.00 0.00 H new ATOM 0 HD1 HIS A 90 11.810 6.995 11.754 1.00 0.00 H new ATOM 0 HD2 HIS A 90 7.863 5.671 12.235 1.00 0.00 H new ATOM 0 HE1 HIS A 90 10.317 9.007 11.316 1.00 0.00 H new ATOM 1260 N LYS A 91 12.131 2.148 12.852 1.00 0.00 N ATOM 1261 CA LYS A 91 12.792 1.120 13.641 1.00 0.00 C ATOM 1262 C LYS A 91 13.578 1.725 14.802 1.00 0.00 C ATOM 1263 O LYS A 91 14.685 1.286 15.113 1.00 0.00 O ATOM 1264 CB LYS A 91 13.714 0.271 12.758 1.00 0.00 C ATOM 1265 CG LYS A 91 14.940 1.014 12.249 1.00 0.00 C ATOM 1266 CD LYS A 91 16.091 0.062 11.971 1.00 0.00 C ATOM 1267 CE LYS A 91 16.233 -0.224 10.484 1.00 0.00 C ATOM 1268 NZ LYS A 91 16.754 -1.596 10.229 1.00 0.00 N ATOM 0 H LYS A 91 11.156 1.941 12.634 1.00 0.00 H new ATOM 0 HA LYS A 91 12.018 0.477 14.060 1.00 0.00 H new ATOM 0 HB2 LYS A 91 14.040 -0.602 13.324 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.145 -0.097 11.905 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.686 1.556 11.338 1.00 0.00 H new ATOM 0 HG3 LYS A 91 15.249 1.756 12.985 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.019 0.491 12.350 1.00 0.00 H new ATOM 0 HD3 LYS A 91 15.929 -0.873 12.508 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.264 -0.107 9.998 1.00 0.00 H new ATOM 0 HE3 LYS A 91 16.905 0.508 10.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 16.836 -1.751 9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 17.690 -1.700 10.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 16.100 -2.296 10.634 1.00 0.00 H new ATOM 1282 N SER A 92 12.995 2.735 15.440 1.00 0.00 N ATOM 1283 CA SER A 92 13.639 3.399 16.567 1.00 0.00 C ATOM 1284 C SER A 92 13.456 2.593 17.850 1.00 0.00 C ATOM 1285 O SER A 92 12.333 2.280 18.244 1.00 0.00 O ATOM 1286 CB SER A 92 13.066 4.806 16.751 1.00 0.00 C ATOM 1287 OG SER A 92 11.703 4.757 17.137 1.00 0.00 O ATOM 0 H SER A 92 12.079 3.111 15.196 1.00 0.00 H new ATOM 0 HA SER A 92 14.705 3.472 16.353 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.642 5.340 17.507 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.164 5.366 15.821 1.00 0.00 H new ATOM 0 HG SER A 92 11.509 3.886 17.541 1.00 0.00 H new ATOM 1293 N GLU A 93 14.569 2.258 18.496 1.00 0.00 N ATOM 1294 CA GLU A 93 14.530 1.487 19.733 1.00 0.00 C ATOM 1295 C GLU A 93 14.478 2.406 20.948 1.00 0.00 C ATOM 1296 O GLU A 93 13.841 2.088 21.953 1.00 0.00 O ATOM 1297 CB GLU A 93 15.750 0.567 19.826 1.00 0.00 C ATOM 1298 CG GLU A 93 17.064 1.259 19.502 1.00 0.00 C ATOM 1299 CD GLU A 93 18.187 0.846 20.432 1.00 0.00 C ATOM 1300 OE1 GLU A 93 18.155 1.245 21.616 1.00 0.00 O ATOM 1301 OE2 GLU A 93 19.099 0.122 19.979 1.00 0.00 O ATOM 0 H GLU A 93 15.507 2.508 18.184 1.00 0.00 H new ATOM 0 HA GLU A 93 13.625 0.879 19.722 1.00 0.00 H new ATOM 0 HB2 GLU A 93 15.806 0.154 20.833 1.00 0.00 H new ATOM 0 HB3 GLU A 93 15.614 -0.272 19.144 1.00 0.00 H new ATOM 0 HG2 GLU A 93 17.346 1.031 18.474 1.00 0.00 H new ATOM 0 HG3 GLU A 93 16.926 2.339 19.562 1.00 0.00 H new ATOM 1308 N SER A 94 15.148 3.550 20.850 1.00 0.00 N ATOM 1309 CA SER A 94 15.177 4.519 21.942 1.00 0.00 C ATOM 1310 C SER A 94 15.673 3.874 23.233 1.00 0.00 C ATOM 1311 O SER A 94 14.899 3.263 23.969 1.00 0.00 O ATOM 1312 CB SER A 94 13.785 5.114 22.158 1.00 0.00 C ATOM 1313 OG SER A 94 13.405 5.934 21.067 1.00 0.00 O ATOM 0 H SER A 94 15.679 3.830 20.025 1.00 0.00 H new ATOM 0 HA SER A 94 15.869 5.316 21.668 1.00 0.00 H new ATOM 0 HB2 SER A 94 13.059 4.311 22.284 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.775 5.699 23.077 1.00 0.00 H new ATOM 0 HG SER A 94 12.511 6.301 21.229 1.00 0.00 H new ATOM 1319 N ARG A 95 16.967 4.015 23.501 1.00 0.00 N ATOM 1320 CA ARG A 95 17.564 3.448 24.704 1.00 0.00 C ATOM 1321 C ARG A 95 18.941 4.051 24.966 1.00 0.00 C ATOM 1322 O ARG A 95 19.207 4.568 26.050 1.00 0.00 O ATOM 1323 CB ARG A 95 17.677 1.928 24.574 1.00 0.00 C ATOM 1324 CG ARG A 95 17.799 1.212 25.910 1.00 0.00 C ATOM 1325 CD ARG A 95 17.522 -0.276 25.771 1.00 0.00 C ATOM 1326 NE ARG A 95 18.748 -1.045 25.569 1.00 0.00 N ATOM 1327 CZ ARG A 95 18.768 -2.327 25.209 1.00 0.00 C ATOM 1328 NH1 ARG A 95 17.633 -2.985 25.009 1.00 0.00 N ATOM 1329 NH2 ARG A 95 19.927 -2.950 25.046 1.00 0.00 N ATOM 0 H ARG A 95 17.622 4.517 22.901 1.00 0.00 H new ATOM 0 HA ARG A 95 16.917 3.687 25.548 1.00 0.00 H new ATOM 0 HB2 ARG A 95 16.801 1.550 24.047 1.00 0.00 H new ATOM 0 HB3 ARG A 95 18.546 1.687 23.961 1.00 0.00 H new ATOM 0 HG2 ARG A 95 18.801 1.361 26.314 1.00 0.00 H new ATOM 0 HG3 ARG A 95 17.100 1.648 26.623 1.00 0.00 H new ATOM 0 HD2 ARG A 95 17.012 -0.635 26.665 1.00 0.00 H new ATOM 0 HD3 ARG A 95 16.847 -0.442 24.931 1.00 0.00 H new ATOM 0 HE ARG A 95 19.640 -0.572 25.712 1.00 0.00 H new ATOM 0 HH11 ARG A 95 16.739 -2.509 25.131 1.00 0.00 H new ATOM 0 HH12 ARG A 95 17.654 -3.967 24.733 1.00 0.00 H new ATOM 0 HH21 ARG A 95 20.802 -2.447 25.196 1.00 0.00 H new ATOM 0 HH22 ARG A 95 19.944 -3.932 24.770 1.00 0.00 H new ATOM 1343 N ARG A 96 19.812 3.981 23.964 1.00 0.00 N ATOM 1344 CA ARG A 96 21.163 4.520 24.088 1.00 0.00 C ATOM 1345 C ARG A 96 21.588 5.220 22.801 1.00 0.00 C ATOM 1346 O ARG A 96 21.235 4.791 21.703 1.00 0.00 O ATOM 1347 CB ARG A 96 22.152 3.404 24.428 1.00 0.00 C ATOM 1348 CG ARG A 96 21.750 2.587 25.646 1.00 0.00 C ATOM 1349 CD ARG A 96 22.960 2.186 26.476 1.00 0.00 C ATOM 1350 NE ARG A 96 22.769 2.475 27.896 1.00 0.00 N ATOM 1351 CZ ARG A 96 23.500 1.934 28.867 1.00 0.00 C ATOM 1352 NH1 ARG A 96 24.469 1.073 28.578 1.00 0.00 N ATOM 1353 NH2 ARG A 96 23.261 2.251 30.132 1.00 0.00 N ATOM 0 H ARG A 96 19.608 3.557 23.059 1.00 0.00 H new ATOM 0 HA ARG A 96 21.163 5.252 24.896 1.00 0.00 H new ATOM 0 HB2 ARG A 96 22.246 2.739 23.569 1.00 0.00 H new ATOM 0 HB3 ARG A 96 23.135 3.841 24.602 1.00 0.00 H new ATOM 0 HG2 ARG A 96 21.061 3.166 26.262 1.00 0.00 H new ATOM 0 HG3 ARG A 96 21.216 1.693 25.325 1.00 0.00 H new ATOM 0 HD2 ARG A 96 23.153 1.121 26.345 1.00 0.00 H new ATOM 0 HD3 ARG A 96 23.841 2.716 26.113 1.00 0.00 H new ATOM 0 HE ARG A 96 22.032 3.130 28.158 1.00 0.00 H new ATOM 0 HH11 ARG A 96 24.656 0.823 27.607 1.00 0.00 H new ATOM 0 HH12 ARG A 96 25.026 0.662 29.327 1.00 0.00 H new ATOM 0 HH21 ARG A 96 22.517 2.910 30.361 1.00 0.00 H new ATOM 0 HH22 ARG A 96 23.822 1.836 30.876 1.00 0.00 H new ATOM 1367 N ALA A 97 22.351 6.299 22.946 1.00 0.00 N ATOM 1368 CA ALA A 97 22.827 7.058 21.795 1.00 0.00 C ATOM 1369 C ALA A 97 24.276 6.715 21.473 1.00 0.00 C ATOM 1370 O ALA A 97 25.062 7.585 21.094 1.00 0.00 O ATOM 1371 CB ALA A 97 22.680 8.551 22.052 1.00 0.00 C ATOM 0 H ALA A 97 22.653 6.667 23.848 1.00 0.00 H new ATOM 0 HA ALA A 97 22.217 6.786 20.933 1.00 0.00 H new ATOM 0 HB1 ALA A 97 23.039 9.106 21.185 1.00 0.00 H new ATOM 0 HB2 ALA A 97 21.631 8.789 22.226 1.00 0.00 H new ATOM 0 HB3 ALA A 97 23.265 8.829 22.929 1.00 0.00 H new ATOM 1377 N ASP A 98 24.626 5.442 21.625 1.00 0.00 N ATOM 1378 CA ASP A 98 25.982 4.983 21.349 1.00 0.00 C ATOM 1379 C ASP A 98 26.153 4.649 19.871 1.00 0.00 C ATOM 1380 O ASP A 98 25.173 4.468 19.148 1.00 0.00 O ATOM 1381 CB ASP A 98 26.312 3.757 22.202 1.00 0.00 C ATOM 1382 CG ASP A 98 27.751 3.757 22.681 1.00 0.00 C ATOM 1383 OD1 ASP A 98 28.080 4.563 23.576 1.00 0.00 O ATOM 1384 OD2 ASP A 98 28.549 2.950 22.160 1.00 0.00 O ATOM 0 H ASP A 98 23.989 4.710 21.938 1.00 0.00 H new ATOM 0 HA ASP A 98 26.670 5.789 21.603 1.00 0.00 H new ATOM 0 HB2 ASP A 98 25.645 3.727 23.064 1.00 0.00 H new ATOM 0 HB3 ASP A 98 26.125 2.853 21.622 1.00 0.00 H new ATOM 1389 N GLU A 99 27.403 4.569 19.428 1.00 0.00 N ATOM 1390 CA GLU A 99 27.703 4.256 18.035 1.00 0.00 C ATOM 1391 C GLU A 99 27.441 2.784 17.740 1.00 0.00 C ATOM 1392 O GLU A 99 27.703 1.917 18.575 1.00 0.00 O ATOM 1393 CB GLU A 99 29.158 4.602 17.715 1.00 0.00 C ATOM 1394 CG GLU A 99 30.152 4.049 18.723 1.00 0.00 C ATOM 1395 CD GLU A 99 30.601 5.090 19.730 1.00 0.00 C ATOM 1396 OE1 GLU A 99 29.838 6.047 19.974 1.00 0.00 O ATOM 1397 OE2 GLU A 99 31.717 4.948 20.274 1.00 0.00 O ATOM 0 H GLU A 99 28.225 4.717 20.013 1.00 0.00 H new ATOM 0 HA GLU A 99 27.047 4.856 17.404 1.00 0.00 H new ATOM 0 HB2 GLU A 99 29.405 4.217 16.726 1.00 0.00 H new ATOM 0 HB3 GLU A 99 29.263 5.686 17.671 1.00 0.00 H new ATOM 0 HG2 GLU A 99 29.700 3.210 19.251 1.00 0.00 H new ATOM 0 HG3 GLU A 99 31.023 3.661 18.194 1.00 0.00 H new ATOM 1404 N ARG A 100 26.923 2.507 16.548 1.00 0.00 N ATOM 1405 CA ARG A 100 26.625 1.139 16.142 1.00 0.00 C ATOM 1406 C ARG A 100 26.901 0.941 14.655 1.00 0.00 C ATOM 1407 O ARG A 100 26.069 1.273 13.809 1.00 0.00 O ATOM 1408 CB ARG A 100 25.166 0.799 16.451 1.00 0.00 C ATOM 1409 CG ARG A 100 24.868 -0.690 16.417 1.00 0.00 C ATOM 1410 CD ARG A 100 25.315 -1.377 17.697 1.00 0.00 C ATOM 1411 NE ARG A 100 24.723 -2.705 17.842 1.00 0.00 N ATOM 1412 CZ ARG A 100 23.466 -2.917 18.228 1.00 0.00 C ATOM 1413 NH1 ARG A 100 22.668 -1.895 18.508 1.00 0.00 N ATOM 1414 NH2 ARG A 100 23.007 -4.157 18.334 1.00 0.00 N ATOM 0 H ARG A 100 26.701 3.213 15.846 1.00 0.00 H new ATOM 0 HA ARG A 100 27.274 0.470 16.706 1.00 0.00 H new ATOM 0 HB2 ARG A 100 24.912 1.189 17.436 1.00 0.00 H new ATOM 0 HB3 ARG A 100 24.523 1.306 15.731 1.00 0.00 H new ATOM 0 HG2 ARG A 100 23.799 -0.845 16.274 1.00 0.00 H new ATOM 0 HG3 ARG A 100 25.373 -1.144 15.564 1.00 0.00 H new ATOM 0 HD2 ARG A 100 26.402 -1.462 17.702 1.00 0.00 H new ATOM 0 HD3 ARG A 100 25.039 -0.762 18.554 1.00 0.00 H new ATOM 0 HE ARG A 100 25.306 -3.516 17.636 1.00 0.00 H new ATOM 0 HH11 ARG A 100 23.016 -0.940 18.428 1.00 0.00 H new ATOM 0 HH12 ARG A 100 21.706 -2.065 18.803 1.00 0.00 H new ATOM 0 HH21 ARG A 100 23.616 -4.946 18.120 1.00 0.00 H new ATOM 0 HH22 ARG A 100 22.045 -4.321 18.629 1.00 0.00 H new ATOM 1428 N LEU A 101 28.074 0.399 14.342 1.00 0.00 N ATOM 1429 CA LEU A 101 28.459 0.157 12.957 1.00 0.00 C ATOM 1430 C LEU A 101 28.496 -1.338 12.655 1.00 0.00 C ATOM 1431 O LEU A 101 28.197 -1.763 11.539 1.00 0.00 O ATOM 1432 CB LEU A 101 29.826 0.784 12.669 1.00 0.00 C ATOM 1433 CG LEU A 101 29.897 1.623 11.392 1.00 0.00 C ATOM 1434 CD1 LEU A 101 29.680 3.095 11.707 1.00 0.00 C ATOM 1435 CD2 LEU A 101 31.232 1.419 10.690 1.00 0.00 C ATOM 0 H LEU A 101 28.774 0.119 15.029 1.00 0.00 H new ATOM 0 HA LEU A 101 27.712 0.620 12.312 1.00 0.00 H new ATOM 0 HB2 LEU A 101 30.106 1.412 13.514 1.00 0.00 H new ATOM 0 HB3 LEU A 101 30.568 -0.012 12.604 1.00 0.00 H new ATOM 0 HG LEU A 101 29.103 1.294 10.722 1.00 0.00 H new ATOM 0 HD11 LEU A 101 29.734 3.676 10.786 1.00 0.00 H new ATOM 0 HD12 LEU A 101 28.699 3.229 12.163 1.00 0.00 H new ATOM 0 HD13 LEU A 101 30.451 3.437 12.397 1.00 0.00 H new ATOM 0 HD21 LEU A 101 31.263 2.024 9.784 1.00 0.00 H new ATOM 0 HD22 LEU A 101 32.042 1.719 11.355 1.00 0.00 H new ATOM 0 HD23 LEU A 101 31.348 0.367 10.428 1.00 0.00 H new ATOM 1441 N LYS A 102 28.863 -2.130 13.657 1.00 0.00 N ATOM 1442 CA LYS A 102 28.937 -3.578 13.498 1.00 0.00 C ATOM 1443 C LYS A 102 27.545 -4.200 13.525 1.00 0.00 C ATOM 1444 O LYS A 102 26.619 -3.647 14.118 1.00 0.00 O ATOM 1445 CB LYS A 102 29.803 -4.191 14.599 1.00 0.00 C ATOM 1446 CG LYS A 102 29.350 -3.825 16.004 1.00 0.00 C ATOM 1447 CD LYS A 102 30.288 -2.817 16.649 1.00 0.00 C ATOM 1448 CE LYS A 102 31.638 -3.438 16.971 1.00 0.00 C ATOM 1449 NZ LYS A 102 31.613 -4.182 18.260 1.00 0.00 N ATOM 0 H LYS A 102 29.114 -1.794 14.587 1.00 0.00 H new ATOM 0 HA LYS A 102 29.391 -3.788 12.530 1.00 0.00 H new ATOM 0 HB2 LYS A 102 29.795 -5.276 14.495 1.00 0.00 H new ATOM 0 HB3 LYS A 102 30.834 -3.865 14.462 1.00 0.00 H new ATOM 0 HG2 LYS A 102 28.342 -3.412 15.966 1.00 0.00 H new ATOM 0 HG3 LYS A 102 29.303 -4.724 16.618 1.00 0.00 H new ATOM 0 HD2 LYS A 102 30.427 -1.968 15.980 1.00 0.00 H new ATOM 0 HD3 LYS A 102 29.836 -2.431 17.563 1.00 0.00 H new ATOM 0 HE2 LYS A 102 31.928 -4.114 16.167 1.00 0.00 H new ATOM 0 HE3 LYS A 102 32.396 -2.656 17.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 32.552 -4.590 18.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 31.362 -3.531 19.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 30.908 -4.945 18.207 1.00 0.00 H new ATOM 1463 N ASP A 103 27.405 -5.353 12.879 1.00 0.00 N ATOM 1464 CA ASP A 103 26.126 -6.050 12.829 1.00 0.00 C ATOM 1465 C ASP A 103 26.297 -7.530 13.158 1.00 0.00 C ATOM 1466 O ASP A 103 26.608 -8.338 12.283 1.00 0.00 O ATOM 1467 CB ASP A 103 25.489 -5.893 11.447 1.00 0.00 C ATOM 1468 CG ASP A 103 24.535 -4.717 11.380 1.00 0.00 C ATOM 1469 OD1 ASP A 103 24.838 -3.671 11.994 1.00 0.00 O ATOM 1470 OD2 ASP A 103 23.487 -4.840 10.713 1.00 0.00 O ATOM 0 H ASP A 103 28.162 -5.824 12.383 1.00 0.00 H new ATOM 0 HA ASP A 103 25.470 -5.605 13.577 1.00 0.00 H new ATOM 0 HB2 ASP A 103 26.273 -5.764 10.701 1.00 0.00 H new ATOM 0 HB3 ASP A 103 24.953 -6.807 11.191 1.00 0.00 H new ATOM 1475 N SER A 104 26.094 -7.877 14.425 1.00 0.00 N ATOM 1476 CA SER A 104 26.227 -9.260 14.869 1.00 0.00 C ATOM 1477 C SER A 104 24.938 -9.746 15.526 1.00 0.00 C ATOM 1478 O SER A 104 24.024 -8.962 15.777 1.00 0.00 O ATOM 1479 CB SER A 104 27.394 -9.393 15.850 1.00 0.00 C ATOM 1480 OG SER A 104 27.077 -8.810 17.102 1.00 0.00 O ATOM 0 H SER A 104 25.837 -7.220 15.162 1.00 0.00 H new ATOM 0 HA SER A 104 26.425 -9.879 13.994 1.00 0.00 H new ATOM 0 HB2 SER A 104 27.639 -10.446 15.987 1.00 0.00 H new ATOM 0 HB3 SER A 104 28.279 -8.911 15.435 1.00 0.00 H new ATOM 0 HG SER A 104 27.838 -8.910 17.711 1.00 0.00 H new ATOM 1486 N PHE A 105 24.874 -11.045 15.800 1.00 0.00 N ATOM 1487 CA PHE A 105 23.698 -11.637 16.427 1.00 0.00 C ATOM 1488 C PHE A 105 24.095 -12.489 17.629 1.00 0.00 C ATOM 1489 O PHE A 105 24.957 -13.361 17.527 1.00 0.00 O ATOM 1490 CB PHE A 105 22.927 -12.486 15.414 1.00 0.00 C ATOM 1491 CG PHE A 105 21.452 -12.202 15.392 1.00 0.00 C ATOM 1492 CD1 PHE A 105 20.678 -12.401 16.524 1.00 0.00 C ATOM 1493 CD2 PHE A 105 20.839 -11.737 14.239 1.00 0.00 C ATOM 1494 CE1 PHE A 105 19.321 -12.141 16.507 1.00 0.00 C ATOM 1495 CE2 PHE A 105 19.482 -11.477 14.216 1.00 0.00 C ATOM 1496 CZ PHE A 105 18.722 -11.679 15.351 1.00 0.00 C ATOM 0 H PHE A 105 25.623 -11.708 15.598 1.00 0.00 H new ATOM 0 HA PHE A 105 23.055 -10.829 16.775 1.00 0.00 H new ATOM 0 HB2 PHE A 105 23.337 -12.312 14.419 1.00 0.00 H new ATOM 0 HB3 PHE A 105 23.082 -13.540 15.643 1.00 0.00 H new ATOM 0 HD1 PHE A 105 21.141 -12.764 17.430 1.00 0.00 H new ATOM 0 HD2 PHE A 105 21.429 -11.576 13.349 1.00 0.00 H new ATOM 0 HE1 PHE A 105 18.729 -12.299 17.397 1.00 0.00 H new ATOM 0 HE2 PHE A 105 19.016 -11.116 13.311 1.00 0.00 H new ATOM 0 HZ PHE A 105 17.661 -11.476 15.335 1.00 0.00 H new ATOM 1506 N GLU A 106 23.459 -12.231 18.767 1.00 0.00 N ATOM 1507 CA GLU A 106 23.745 -12.975 19.989 1.00 0.00 C ATOM 1508 C GLU A 106 22.798 -14.161 20.139 1.00 0.00 C ATOM 1509 O GLU A 106 21.593 -14.037 19.920 1.00 0.00 O ATOM 1510 CB GLU A 106 23.631 -12.057 21.208 1.00 0.00 C ATOM 1511 CG GLU A 106 24.666 -12.344 22.284 1.00 0.00 C ATOM 1512 CD GLU A 106 24.092 -12.254 23.684 1.00 0.00 C ATOM 1513 OE1 GLU A 106 23.536 -13.265 24.164 1.00 0.00 O ATOM 1514 OE2 GLU A 106 24.197 -11.174 24.301 1.00 0.00 O ATOM 0 H GLU A 106 22.742 -11.513 18.869 1.00 0.00 H new ATOM 0 HA GLU A 106 24.765 -13.355 19.923 1.00 0.00 H new ATOM 0 HB2 GLU A 106 23.734 -11.021 20.884 1.00 0.00 H new ATOM 0 HB3 GLU A 106 22.634 -12.159 21.638 1.00 0.00 H new ATOM 0 HG2 GLU A 106 25.080 -13.340 22.128 1.00 0.00 H new ATOM 0 HG3 GLU A 106 25.491 -11.638 22.187 1.00 0.00 H new ATOM 1521 N ASN A 107 23.352 -15.309 20.514 1.00 0.00 N ATOM 1522 CA ASN A 107 22.557 -16.519 20.695 1.00 0.00 C ATOM 1523 C ASN A 107 22.744 -17.088 22.098 1.00 0.00 C ATOM 1524 O ASN A 107 21.768 -17.380 22.785 1.00 99.99 O ATOM 1525 CB ASN A 107 22.943 -17.568 19.651 1.00 0.00 C ATOM 1526 CG ASN A 107 21.926 -18.689 19.555 1.00 0.00 C ATOM 1527 OD1 ASN A 107 21.137 -18.746 18.612 1.00 0.00 O ATOM 1528 ND2 ASN A 107 21.941 -19.587 20.533 1.00 0.00 N ATOM 0 H ASN A 107 24.348 -15.427 20.699 1.00 0.00 H new ATOM 0 HA ASN A 107 21.507 -16.257 20.566 1.00 0.00 H new ATOM 0 HB2 ASN A 107 23.044 -17.088 18.678 1.00 0.00 H new ATOM 0 HB3 ASN A 107 23.918 -17.986 19.903 1.00 0.00 H new ATOM 0 HD21 ASN A 107 21.280 -20.364 20.522 1.00 0.00 H new ATOM 0 HD22 ASN A 107 22.613 -19.500 21.295 1.00 0.00 H new TER 1533 ASN A 107