USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 763 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 106 SER OG : rot 179:sc= -3.84! USER MOD Set 1.2: A 118 GLN : amide:sc= -8.92! C(o=-13!,f=-14!) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.0523 K(o=-0.052,f=-1.9!) USER MOD Single : A 36 ASN : amide:sc= -0.0609 K(o=-0.061,f=-1.9!) USER MOD Single : A 41 MET CE :methyl -165:sc= 0 (180deg=-0.36) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= -1.17 (180deg=-2!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 130:sc= -1.41 USER MOD Single : A 55 SER OG : rot 180:sc= -0.143 USER MOD Single : A 56 LYS NZ :NH3+ -165:sc= -0.0153 (180deg=-0.257) USER MOD Single : A 57 THR OG1 : rot 180:sc=-0.00369 USER MOD Single : A 58 GLN : amide:sc= -0.656 K(o=-0.66,f=-1.6) USER MOD Single : A 60 SER OG : rot 99:sc= 1.23 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -103:sc= 0.394 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.734 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 26:sc= 0.179 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0594 USER MOD Single : A 84 GLN : amide:sc= -0.425 K(o=-0.43,f=-1.9!) USER MOD Single : A 86 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.108) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 88 HIS : no HD1:sc= -0.0096 X(o=-0.0096,f=-0.34) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.263 K(o=-0.26,f=-0.97) USER MOD Single : A 98 GLN : amide:sc= -0.599 X(o=-0.6,f=-0.57) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -132:sc= 0.28 (180deg=-0.407) USER MOD Single : A 103 ASN :FLIP amide:sc= -0.0368 F(o=-0.62,f=-0.037) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN :FLIP amide:sc= -2.21! C(o=-4.2!,f=-2.2!) USER MOD Single : A 111 HIS :FLIP no HD1:sc= -1.56! C(o=-2.2!,f=-1.6!) USER MOD Single : A 122 HIS :FLIP no HD1:sc= -0.225 F(o=-0.93,f=-0.23) USER MOD Single : A 123 SER OG : rot 180:sc= -0.603 USER MOD Single : A 124 GLN : amide:sc= -0.239 K(o=-0.24,f=-1.8!) USER MOD Single : A 126 ASN : amide:sc= -1.46! C(o=-1.5!,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 31 -8.554 20.045 -10.958 1.00 0.00 N ATOM 2 CA MET A 31 -8.918 20.566 -9.612 1.00 0.00 C ATOM 3 C MET A 31 -7.706 20.468 -8.692 1.00 0.00 C ATOM 4 O MET A 31 -7.492 19.447 -8.039 1.00 0.00 O ATOM 5 CB MET A 31 -10.074 19.738 -9.044 1.00 0.00 C ATOM 6 CG MET A 31 -11.324 19.957 -9.899 1.00 0.00 C ATOM 7 SD MET A 31 -12.693 18.975 -9.237 1.00 0.00 S ATOM 8 CE MET A 31 -13.300 20.199 -8.050 1.00 0.00 C ATOM 0 HA MET A 31 -9.228 21.608 -9.688 1.00 0.00 H new ATOM 0 HB2 MET A 31 -9.808 18.681 -9.033 1.00 0.00 H new ATOM 0 HB3 MET A 31 -10.271 20.028 -8.012 1.00 0.00 H new ATOM 0 HG2 MET A 31 -11.591 21.014 -9.906 1.00 0.00 H new ATOM 0 HG3 MET A 31 -11.125 19.672 -10.932 1.00 0.00 H new ATOM 0 HE1 MET A 31 -14.161 19.794 -7.519 1.00 0.00 H new ATOM 0 HE2 MET A 31 -12.511 20.436 -7.336 1.00 0.00 H new ATOM 0 HE3 MET A 31 -13.593 21.105 -8.580 1.00 0.00 H new ATOM 18 N GLY A 32 -6.912 21.535 -8.644 1.00 0.00 N ATOM 19 CA GLY A 32 -5.722 21.553 -7.801 1.00 0.00 C ATOM 20 C GLY A 32 -4.549 20.868 -8.494 1.00 0.00 C ATOM 21 O GLY A 32 -3.670 20.307 -7.840 1.00 0.00 O ATOM 0 H GLY A 32 -7.070 22.392 -9.175 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.457 22.583 -7.563 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.934 21.052 -6.857 1.00 0.00 H new ATOM 25 N LYS A 33 -4.542 20.915 -9.822 1.00 0.00 N ATOM 26 CA LYS A 33 -3.470 20.295 -10.591 1.00 0.00 C ATOM 27 C LYS A 33 -2.148 21.009 -10.333 1.00 0.00 C ATOM 28 O LYS A 33 -2.088 22.239 -10.323 1.00 0.00 O ATOM 29 CB LYS A 33 -3.799 20.353 -12.084 1.00 0.00 C ATOM 30 CG LYS A 33 -5.016 19.475 -12.374 1.00 0.00 C ATOM 31 CD LYS A 33 -5.356 19.546 -13.865 1.00 0.00 C ATOM 32 CE LYS A 33 -6.575 18.669 -14.153 1.00 0.00 C ATOM 33 NZ LYS A 33 -6.910 18.746 -15.602 1.00 0.00 N1+ ATOM 0 H LYS A 33 -5.260 21.372 -10.384 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.377 19.255 -10.279 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.000 21.382 -12.383 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.944 20.013 -12.669 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.810 18.444 -12.086 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.867 19.808 -11.780 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.560 20.577 -14.153 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.506 19.211 -14.459 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.369 17.637 -13.871 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.424 18.999 -13.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.739 18.150 -15.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.124 19.731 -15.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.101 18.411 -16.164 1.00 0.00 H new ATOM 47 N ASN A 34 -1.089 20.230 -10.125 1.00 0.00 N ATOM 48 CA ASN A 34 0.236 20.797 -9.867 1.00 0.00 C ATOM 49 C ASN A 34 1.009 20.956 -11.170 1.00 0.00 C ATOM 50 O ASN A 34 1.014 20.059 -12.013 1.00 0.00 O ATOM 51 CB ASN A 34 1.014 19.881 -8.921 1.00 0.00 C ATOM 52 CG ASN A 34 0.404 19.936 -7.523 1.00 0.00 C ATOM 53 OD1 ASN A 34 -0.325 20.873 -7.201 1.00 0.00 O ATOM 54 ND2 ASN A 34 0.660 18.980 -6.671 1.00 0.00 N ATOM 0 H ASN A 34 -1.120 19.210 -10.130 1.00 0.00 H new ATOM 0 HA ASN A 34 0.112 21.778 -9.408 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.995 18.857 -9.295 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.059 20.187 -8.883 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.255 19.009 -5.735 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.265 18.204 -6.941 1.00 0.00 H new ATOM 61 N ASP A 35 1.664 22.103 -11.329 1.00 0.00 N ATOM 62 CA ASP A 35 2.442 22.375 -12.535 1.00 0.00 C ATOM 63 C ASP A 35 3.861 21.834 -12.393 1.00 0.00 C ATOM 64 O ASP A 35 4.651 21.880 -13.335 1.00 0.00 O ATOM 65 CB ASP A 35 2.495 23.882 -12.790 1.00 0.00 C ATOM 66 CG ASP A 35 1.110 24.397 -13.167 1.00 0.00 C ATOM 67 OD1 ASP A 35 0.259 23.578 -13.475 1.00 0.00 O1- ATOM 68 OD2 ASP A 35 0.919 25.601 -13.141 1.00 0.00 O ATOM 0 H ASP A 35 1.672 22.856 -10.641 1.00 0.00 H new ATOM 0 HA ASP A 35 1.958 21.878 -13.376 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.853 24.397 -11.899 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.203 24.099 -13.590 1.00 0.00 H new ATOM 73 N ASN A 36 4.176 21.319 -11.206 1.00 0.00 N ATOM 74 CA ASN A 36 5.506 20.768 -10.943 1.00 0.00 C ATOM 75 C ASN A 36 5.544 19.284 -11.288 1.00 0.00 C ATOM 76 O ASN A 36 6.520 18.594 -10.992 1.00 0.00 O ATOM 77 CB ASN A 36 5.871 20.961 -9.470 1.00 0.00 C ATOM 78 CG ASN A 36 6.142 22.435 -9.189 1.00 0.00 C ATOM 79 OD1 ASN A 36 6.334 23.220 -10.118 1.00 0.00 O ATOM 80 ND2 ASN A 36 6.178 22.859 -7.956 1.00 0.00 N ATOM 0 H ASN A 36 3.534 21.271 -10.415 1.00 0.00 H new ATOM 0 HA ASN A 36 6.228 21.295 -11.566 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.059 20.605 -8.836 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.752 20.367 -9.224 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.365 23.842 -7.760 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.019 22.207 -7.188 1.00 0.00 H new ATOM 87 N ASP A 37 4.478 18.801 -11.917 1.00 0.00 N ATOM 88 CA ASP A 37 4.401 17.396 -12.299 1.00 0.00 C ATOM 89 C ASP A 37 5.284 17.126 -13.512 1.00 0.00 C ATOM 90 O ASP A 37 5.115 16.125 -14.206 1.00 0.00 O ATOM 91 CB ASP A 37 2.953 17.018 -12.622 1.00 0.00 C ATOM 92 CG ASP A 37 2.852 15.519 -12.888 1.00 0.00 C ATOM 93 OD1 ASP A 37 3.813 14.821 -12.608 1.00 0.00 O1- ATOM 94 OD2 ASP A 37 1.816 15.092 -13.369 1.00 0.00 O ATOM 0 H ASP A 37 3.661 19.357 -12.171 1.00 0.00 H new ATOM 0 HA ASP A 37 4.753 16.791 -11.464 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.303 17.293 -11.791 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.609 17.574 -13.494 1.00 0.00 H new ATOM 99 N ALA A 38 6.229 18.029 -13.757 1.00 0.00 N ATOM 100 CA ALA A 38 7.140 17.882 -14.886 1.00 0.00 C ATOM 101 C ALA A 38 7.980 16.625 -14.728 1.00 0.00 C ATOM 102 O ALA A 38 8.373 16.278 -13.618 1.00 0.00 O ATOM 103 CB ALA A 38 8.061 19.098 -14.982 1.00 0.00 C ATOM 0 H ALA A 38 6.383 18.865 -13.193 1.00 0.00 H new ATOM 0 HA ALA A 38 6.547 17.804 -15.797 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.737 18.977 -15.829 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.462 19.998 -15.122 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.642 19.188 -14.064 1.00 0.00 H new ATOM 109 N LEU A 39 8.255 15.947 -15.844 1.00 0.00 N ATOM 110 CA LEU A 39 9.061 14.725 -15.820 1.00 0.00 C ATOM 111 C LEU A 39 10.247 14.853 -16.764 1.00 0.00 C ATOM 112 O LEU A 39 10.084 14.894 -17.984 1.00 0.00 O ATOM 113 CB LEU A 39 8.209 13.528 -16.243 1.00 0.00 C ATOM 114 CG LEU A 39 7.029 13.341 -15.262 1.00 0.00 C ATOM 115 CD1 LEU A 39 5.855 12.664 -15.976 1.00 0.00 C ATOM 116 CD2 LEU A 39 7.455 12.460 -14.084 1.00 0.00 C ATOM 0 H LEU A 39 7.933 16.222 -16.772 1.00 0.00 H new ATOM 0 HA LEU A 39 9.426 14.574 -14.804 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.831 13.680 -17.254 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.821 12.626 -16.264 1.00 0.00 H new ATOM 0 HG LEU A 39 6.727 14.323 -14.899 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.029 12.537 -15.277 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.531 13.284 -16.812 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.169 11.689 -16.348 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.615 12.336 -13.400 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.769 11.484 -14.454 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.285 12.932 -13.558 1.00 0.00 H new ATOM 128 N ILE A 40 11.442 14.921 -16.189 1.00 0.00 N ATOM 129 CA ILE A 40 12.668 15.049 -16.981 1.00 0.00 C ATOM 130 C ILE A 40 13.454 13.752 -16.953 1.00 0.00 C ATOM 131 O ILE A 40 13.661 13.158 -15.894 1.00 0.00 O ATOM 132 CB ILE A 40 13.529 16.190 -16.437 1.00 0.00 C ATOM 133 CG1 ILE A 40 12.699 17.502 -16.424 1.00 0.00 C ATOM 134 CG2 ILE A 40 14.764 16.355 -17.336 1.00 0.00 C ATOM 135 CD1 ILE A 40 12.096 17.724 -15.031 1.00 0.00 C ATOM 0 H ILE A 40 11.592 14.890 -15.181 1.00 0.00 H new ATOM 0 HA ILE A 40 12.393 15.270 -18.012 1.00 0.00 H new ATOM 0 HB ILE A 40 13.849 15.965 -15.420 1.00 0.00 H new ATOM 0 HG12 ILE A 40 13.333 18.346 -16.694 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.905 17.448 -17.169 1.00 0.00 H new ATOM 0 HG21 ILE A 40 15.385 17.167 -16.956 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.339 15.429 -17.338 1.00 0.00 H new ATOM 0 HG23 ILE A 40 14.446 16.587 -18.352 1.00 0.00 H new ATOM 0 HD11 ILE A 40 11.515 18.646 -15.029 1.00 0.00 H new ATOM 0 HD12 ILE A 40 11.447 16.886 -14.778 1.00 0.00 H new ATOM 0 HD13 ILE A 40 12.897 17.798 -14.295 1.00 0.00 H new ATOM 147 N MET A 41 13.896 13.320 -18.128 1.00 0.00 N ATOM 148 CA MET A 41 14.668 12.092 -18.241 1.00 0.00 C ATOM 149 C MET A 41 16.136 12.359 -17.919 1.00 0.00 C ATOM 150 O MET A 41 16.716 13.336 -18.393 1.00 0.00 O ATOM 151 CB MET A 41 14.526 11.515 -19.662 1.00 0.00 C ATOM 152 CG MET A 41 15.517 12.192 -20.618 1.00 0.00 C ATOM 153 SD MET A 41 15.010 11.889 -22.329 1.00 0.00 S ATOM 154 CE MET A 41 15.413 10.126 -22.373 1.00 0.00 C ATOM 0 H MET A 41 13.733 13.801 -19.012 1.00 0.00 H new ATOM 0 HA MET A 41 14.285 11.364 -17.525 1.00 0.00 H new ATOM 0 HB2 MET A 41 14.705 10.440 -19.644 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.507 11.662 -20.021 1.00 0.00 H new ATOM 0 HG2 MET A 41 15.552 13.264 -20.423 1.00 0.00 H new ATOM 0 HG3 MET A 41 16.522 11.804 -20.451 1.00 0.00 H new ATOM 0 HE1 MET A 41 15.432 9.783 -23.407 1.00 0.00 H new ATOM 0 HE2 MET A 41 16.391 9.965 -21.919 1.00 0.00 H new ATOM 0 HE3 MET A 41 14.659 9.567 -21.819 1.00 0.00 H new ATOM 164 N CYS A 42 16.734 11.476 -17.134 1.00 0.00 N ATOM 165 CA CYS A 42 18.147 11.617 -16.782 1.00 0.00 C ATOM 166 C CYS A 42 19.007 11.059 -17.916 1.00 0.00 C ATOM 167 O CYS A 42 18.922 9.882 -18.247 1.00 0.00 O ATOM 168 CB CYS A 42 18.425 10.881 -15.456 1.00 0.00 C ATOM 169 SG CYS A 42 20.136 10.283 -15.387 1.00 0.00 S ATOM 0 H CYS A 42 16.273 10.661 -16.730 1.00 0.00 H new ATOM 0 HA CYS A 42 18.397 12.669 -16.645 1.00 0.00 H new ATOM 0 HB2 CYS A 42 18.237 11.552 -14.618 1.00 0.00 H new ATOM 0 HB3 CYS A 42 17.738 10.041 -15.352 1.00 0.00 H new ATOM 174 N MET A 43 19.824 11.919 -18.512 1.00 0.00 N ATOM 175 CA MET A 43 20.677 11.504 -19.627 1.00 0.00 C ATOM 176 C MET A 43 21.709 10.467 -19.185 1.00 0.00 C ATOM 177 O MET A 43 22.486 9.972 -20.001 1.00 0.00 O ATOM 178 CB MET A 43 21.403 12.720 -20.208 1.00 0.00 C ATOM 179 CG MET A 43 21.957 13.573 -19.067 1.00 0.00 C ATOM 180 SD MET A 43 23.076 14.827 -19.739 1.00 0.00 S ATOM 181 CE MET A 43 23.956 15.193 -18.200 1.00 0.00 C ATOM 0 H MET A 43 19.916 12.900 -18.248 1.00 0.00 H new ATOM 0 HA MET A 43 20.037 11.053 -20.385 1.00 0.00 H new ATOM 0 HB2 MET A 43 22.213 12.396 -20.861 1.00 0.00 H new ATOM 0 HB3 MET A 43 20.718 13.309 -20.818 1.00 0.00 H new ATOM 0 HG2 MET A 43 21.140 14.051 -18.527 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.487 12.943 -18.352 1.00 0.00 H new ATOM 0 HE1 MET A 43 24.710 15.958 -18.385 1.00 0.00 H new ATOM 0 HE2 MET A 43 23.249 15.554 -17.453 1.00 0.00 H new ATOM 0 HE3 MET A 43 24.440 14.288 -17.833 1.00 0.00 H new ATOM 191 N ARG A 44 21.718 10.139 -17.897 1.00 0.00 N ATOM 192 CA ARG A 44 22.669 9.157 -17.379 1.00 0.00 C ATOM 193 C ARG A 44 22.102 7.744 -17.554 1.00 0.00 C ATOM 194 O ARG A 44 22.682 6.916 -18.256 1.00 0.00 O ATOM 195 CB ARG A 44 22.958 9.448 -15.888 1.00 0.00 C ATOM 196 CG ARG A 44 24.424 9.167 -15.550 1.00 0.00 C ATOM 197 CD ARG A 44 24.710 7.687 -15.751 1.00 0.00 C ATOM 198 NE ARG A 44 26.080 7.391 -15.366 1.00 0.00 N ATOM 199 CZ ARG A 44 26.402 7.177 -14.097 1.00 0.00 C ATOM 200 NH1 ARG A 44 25.479 7.229 -13.173 1.00 0.00 N ATOM 201 NH2 ARG A 44 27.637 6.921 -13.776 1.00 0.00 N1+ ATOM 0 H ARG A 44 21.087 10.532 -17.199 1.00 0.00 H new ATOM 0 HA ARG A 44 23.604 9.227 -17.935 1.00 0.00 H new ATOM 0 HB2 ARG A 44 22.722 10.488 -15.664 1.00 0.00 H new ATOM 0 HB3 ARG A 44 22.312 8.833 -15.262 1.00 0.00 H new ATOM 0 HG2 ARG A 44 25.077 9.765 -16.186 1.00 0.00 H new ATOM 0 HG3 ARG A 44 24.633 9.453 -14.519 1.00 0.00 H new ATOM 0 HD2 ARG A 44 24.019 7.090 -15.156 1.00 0.00 H new ATOM 0 HD3 ARG A 44 24.549 7.415 -16.794 1.00 0.00 H new ATOM 0 HE ARG A 44 26.805 7.347 -16.082 1.00 0.00 H new ATOM 0 HH11 ARG A 44 24.513 7.434 -13.428 1.00 0.00 H new ATOM 0 HH12 ARG A 44 25.725 7.065 -12.197 1.00 0.00 H new ATOM 0 HH21 ARG A 44 28.355 6.885 -14.500 1.00 0.00 H new ATOM 0 HH22 ARG A 44 27.887 6.756 -12.801 1.00 0.00 H new ATOM 215 N CYS A 45 20.961 7.478 -16.910 1.00 0.00 N ATOM 216 CA CYS A 45 20.314 6.164 -16.996 1.00 0.00 C ATOM 217 C CYS A 45 19.018 6.245 -17.810 1.00 0.00 C ATOM 218 O CYS A 45 18.291 5.259 -17.932 1.00 0.00 O ATOM 219 CB CYS A 45 20.005 5.650 -15.592 1.00 0.00 C ATOM 220 SG CYS A 45 18.876 6.801 -14.771 1.00 0.00 S ATOM 0 H CYS A 45 20.467 8.152 -16.325 1.00 0.00 H new ATOM 0 HA CYS A 45 20.996 5.477 -17.498 1.00 0.00 H new ATOM 0 HB2 CYS A 45 19.556 4.658 -15.646 1.00 0.00 H new ATOM 0 HB3 CYS A 45 20.926 5.553 -15.017 1.00 0.00 H new ATOM 225 N ARG A 46 18.744 7.422 -18.375 1.00 0.00 N ATOM 226 CA ARG A 46 17.539 7.614 -19.187 1.00 0.00 C ATOM 227 C ARG A 46 16.281 7.242 -18.412 1.00 0.00 C ATOM 228 O ARG A 46 15.363 6.633 -18.961 1.00 0.00 O ATOM 229 CB ARG A 46 17.636 6.769 -20.452 1.00 0.00 C ATOM 230 CG ARG A 46 18.766 7.308 -21.327 1.00 0.00 C ATOM 231 CD ARG A 46 18.855 6.476 -22.601 1.00 0.00 C ATOM 232 NE ARG A 46 19.944 6.949 -23.447 1.00 0.00 N ATOM 233 CZ ARG A 46 20.299 6.284 -24.542 1.00 0.00 C ATOM 234 NH1 ARG A 46 19.672 5.188 -24.874 1.00 0.00 N ATOM 235 NH2 ARG A 46 21.275 6.728 -25.286 1.00 0.00 N1+ ATOM 0 H ARG A 46 19.333 8.250 -18.287 1.00 0.00 H new ATOM 0 HA ARG A 46 17.471 8.669 -19.451 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.824 5.727 -20.195 1.00 0.00 H new ATOM 0 HB3 ARG A 46 16.692 6.797 -20.997 1.00 0.00 H new ATOM 0 HG2 ARG A 46 18.584 8.354 -21.574 1.00 0.00 H new ATOM 0 HG3 ARG A 46 19.711 7.268 -20.786 1.00 0.00 H new ATOM 0 HD2 ARG A 46 19.013 5.428 -22.347 1.00 0.00 H new ATOM 0 HD3 ARG A 46 17.913 6.533 -23.146 1.00 0.00 H new ATOM 0 HE ARG A 46 20.441 7.803 -23.195 1.00 0.00 H new ATOM 0 HH11 ARG A 46 18.909 4.841 -24.293 1.00 0.00 H new ATOM 0 HH12 ARG A 46 19.945 4.679 -25.714 1.00 0.00 H new ATOM 0 HH21 ARG A 46 21.765 7.585 -25.027 1.00 0.00 H new ATOM 0 HH22 ARG A 46 21.548 6.218 -26.126 1.00 0.00 H new ATOM 249 N LYS A 47 16.237 7.627 -17.138 1.00 0.00 N ATOM 250 CA LYS A 47 15.076 7.345 -16.295 1.00 0.00 C ATOM 251 C LYS A 47 14.166 8.563 -16.235 1.00 0.00 C ATOM 252 O LYS A 47 14.618 9.675 -15.968 1.00 0.00 O ATOM 253 CB LYS A 47 15.529 6.975 -14.874 1.00 0.00 C ATOM 254 CG LYS A 47 16.022 5.518 -14.853 1.00 0.00 C ATOM 255 CD LYS A 47 16.605 5.161 -13.464 1.00 0.00 C ATOM 256 CE LYS A 47 15.515 4.564 -12.561 1.00 0.00 C ATOM 257 NZ LYS A 47 14.394 5.533 -12.417 1.00 0.00 N1+ ATOM 0 H LYS A 47 16.988 8.133 -16.668 1.00 0.00 H new ATOM 0 HA LYS A 47 14.529 6.507 -16.727 1.00 0.00 H new ATOM 0 HB2 LYS A 47 16.326 7.644 -14.550 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.703 7.100 -14.174 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.198 4.846 -15.091 1.00 0.00 H new ATOM 0 HG3 LYS A 47 16.782 5.374 -15.621 1.00 0.00 H new ATOM 0 HD2 LYS A 47 17.422 4.448 -13.578 1.00 0.00 H new ATOM 0 HD3 LYS A 47 17.023 6.053 -12.998 1.00 0.00 H new ATOM 0 HE2 LYS A 47 15.148 3.630 -12.987 1.00 0.00 H new ATOM 0 HE3 LYS A 47 15.931 4.326 -11.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.779 5.238 -11.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.777 6.480 -12.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.842 5.559 -13.298 1.00 0.00 H new ATOM 271 N VAL A 48 12.878 8.342 -16.474 1.00 0.00 N ATOM 272 CA VAL A 48 11.905 9.426 -16.436 1.00 0.00 C ATOM 273 C VAL A 48 11.315 9.534 -15.041 1.00 0.00 C ATOM 274 O VAL A 48 10.737 8.580 -14.525 1.00 0.00 O ATOM 275 CB VAL A 48 10.799 9.161 -17.455 1.00 0.00 C ATOM 276 CG1 VAL A 48 9.910 10.396 -17.579 1.00 0.00 C ATOM 277 CG2 VAL A 48 11.429 8.845 -18.811 1.00 0.00 C ATOM 0 H VAL A 48 12.485 7.427 -16.695 1.00 0.00 H new ATOM 0 HA VAL A 48 12.399 10.365 -16.686 1.00 0.00 H new ATOM 0 HB VAL A 48 10.195 8.315 -17.127 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.121 10.205 -18.307 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.463 10.622 -16.611 1.00 0.00 H new ATOM 0 HG13 VAL A 48 10.510 11.244 -17.908 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.643 8.655 -19.542 1.00 0.00 H new ATOM 0 HG22 VAL A 48 12.032 9.692 -19.138 1.00 0.00 H new ATOM 0 HG23 VAL A 48 12.062 7.962 -18.721 1.00 0.00 H new ATOM 287 N LYS A 49 11.476 10.704 -14.431 1.00 0.00 N ATOM 288 CA LYS A 49 10.974 10.942 -13.081 1.00 0.00 C ATOM 289 C LYS A 49 10.627 12.413 -12.901 1.00 0.00 C ATOM 290 O LYS A 49 11.026 13.257 -13.701 1.00 0.00 O ATOM 291 CB LYS A 49 12.023 10.548 -12.025 1.00 0.00 C ATOM 292 CG LYS A 49 12.266 9.026 -11.980 1.00 0.00 C ATOM 293 CD LYS A 49 11.016 8.297 -11.469 1.00 0.00 C ATOM 294 CE LYS A 49 11.384 6.876 -11.034 1.00 0.00 C ATOM 295 NZ LYS A 49 10.161 6.191 -10.534 1.00 0.00 N1+ ATOM 0 H LYS A 49 11.951 11.503 -14.850 1.00 0.00 H new ATOM 0 HA LYS A 49 10.082 10.330 -12.946 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.962 11.057 -12.242 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.694 10.890 -11.044 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.524 8.663 -12.975 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.113 8.806 -11.331 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.583 8.843 -10.631 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.259 8.262 -12.252 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.809 6.324 -11.872 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.144 6.906 -10.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.402 5.224 -10.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.775 6.717 -9.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.450 6.153 -11.292 1.00 0.00 H new ATOM 309 N GLY A 50 9.884 12.707 -11.836 1.00 0.00 N ATOM 310 CA GLY A 50 9.477 14.078 -11.527 1.00 0.00 C ATOM 311 C GLY A 50 10.355 14.681 -10.436 1.00 0.00 C ATOM 312 O GLY A 50 11.397 14.127 -10.082 1.00 0.00 O ATOM 0 H GLY A 50 9.550 12.011 -11.169 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.539 14.690 -12.427 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.435 14.087 -11.206 1.00 0.00 H new ATOM 316 N ILE A 51 9.933 15.830 -9.916 1.00 0.00 N ATOM 317 CA ILE A 51 10.692 16.511 -8.872 1.00 0.00 C ATOM 318 C ILE A 51 10.967 15.588 -7.681 1.00 0.00 C ATOM 319 O ILE A 51 11.677 15.960 -6.748 1.00 0.00 O ATOM 320 CB ILE A 51 9.915 17.741 -8.399 1.00 0.00 C ATOM 321 CG1 ILE A 51 10.784 18.572 -7.450 1.00 0.00 C ATOM 322 CG2 ILE A 51 8.647 17.296 -7.667 1.00 0.00 C ATOM 323 CD1 ILE A 51 10.159 19.952 -7.277 1.00 0.00 C ATOM 0 H ILE A 51 9.076 16.306 -10.198 1.00 0.00 H new ATOM 0 HA ILE A 51 11.652 16.811 -9.292 1.00 0.00 H new ATOM 0 HB ILE A 51 9.645 18.347 -9.264 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.868 18.074 -6.484 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.794 18.664 -7.849 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.094 18.173 -7.330 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.023 16.711 -8.343 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.919 16.686 -6.806 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.774 20.548 -6.602 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.098 20.448 -8.246 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.158 19.848 -6.859 1.00 0.00 H new ATOM 335 N ASP A 52 10.422 14.378 -7.718 1.00 0.00 N ATOM 336 CA ASP A 52 10.631 13.419 -6.637 1.00 0.00 C ATOM 337 C ASP A 52 12.035 12.818 -6.714 1.00 0.00 C ATOM 338 O ASP A 52 12.831 12.941 -5.785 1.00 0.00 O ATOM 339 CB ASP A 52 9.591 12.304 -6.745 1.00 0.00 C ATOM 340 CG ASP A 52 8.203 12.859 -6.441 1.00 0.00 C ATOM 341 OD1 ASP A 52 8.129 13.948 -5.896 1.00 0.00 O ATOM 342 OD2 ASP A 52 7.236 12.189 -6.762 1.00 0.00 O1- ATOM 0 H ASP A 52 9.835 14.038 -8.480 1.00 0.00 H new ATOM 0 HA ASP A 52 10.526 13.935 -5.683 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.609 11.873 -7.746 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.832 11.501 -6.048 1.00 0.00 H new ATOM 347 N SER A 53 12.326 12.177 -7.843 1.00 0.00 N ATOM 348 CA SER A 53 13.642 11.559 -8.057 1.00 0.00 C ATOM 349 C SER A 53 14.654 12.604 -8.537 1.00 0.00 C ATOM 350 O SER A 53 15.791 12.270 -8.870 1.00 0.00 O ATOM 351 CB SER A 53 13.546 10.415 -9.073 1.00 0.00 C ATOM 352 OG SER A 53 14.483 9.404 -8.718 1.00 0.00 O ATOM 0 H SER A 53 11.677 12.069 -8.622 1.00 0.00 H new ATOM 0 HA SER A 53 13.983 11.151 -7.106 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.536 10.005 -9.085 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.752 10.784 -10.077 1.00 0.00 H new ATOM 0 HG SER A 53 14.428 8.667 -9.361 1.00 0.00 H new ATOM 358 N TYR A 54 14.233 13.868 -8.564 1.00 0.00 N ATOM 359 CA TYR A 54 15.102 14.968 -8.996 1.00 0.00 C ATOM 360 C TYR A 54 15.255 16.001 -7.878 1.00 0.00 C ATOM 361 O TYR A 54 14.268 16.521 -7.358 1.00 0.00 O ATOM 362 CB TYR A 54 14.508 15.639 -10.255 1.00 0.00 C ATOM 363 CG TYR A 54 15.018 14.961 -11.509 1.00 0.00 C ATOM 364 CD1 TYR A 54 14.365 13.839 -12.038 1.00 0.00 C ATOM 365 CD2 TYR A 54 16.164 15.457 -12.137 1.00 0.00 C ATOM 366 CE1 TYR A 54 14.861 13.222 -13.192 1.00 0.00 C ATOM 367 CE2 TYR A 54 16.658 14.840 -13.280 1.00 0.00 C ATOM 368 CZ TYR A 54 16.010 13.722 -13.813 1.00 0.00 C ATOM 369 OH TYR A 54 16.504 13.112 -14.948 1.00 0.00 O ATOM 0 H TYR A 54 13.294 14.159 -8.292 1.00 0.00 H new ATOM 0 HA TYR A 54 16.086 14.564 -9.232 1.00 0.00 H new ATOM 0 HB2 TYR A 54 13.420 15.586 -10.223 1.00 0.00 H new ATOM 0 HB3 TYR A 54 14.775 16.696 -10.271 1.00 0.00 H new ATOM 0 HD1 TYR A 54 13.480 13.451 -11.555 1.00 0.00 H new ATOM 0 HD2 TYR A 54 16.667 16.323 -11.733 1.00 0.00 H new ATOM 0 HE1 TYR A 54 14.357 12.360 -13.603 1.00 0.00 H new ATOM 0 HE2 TYR A 54 17.546 15.226 -13.758 1.00 0.00 H new ATOM 0 HH TYR A 54 16.660 13.787 -15.641 1.00 0.00 H new ATOM 379 N SER A 55 16.504 16.301 -7.529 1.00 0.00 N ATOM 380 CA SER A 55 16.791 17.279 -6.492 1.00 0.00 C ATOM 381 C SER A 55 16.285 18.653 -6.917 1.00 0.00 C ATOM 382 O SER A 55 16.146 18.933 -8.109 1.00 0.00 O ATOM 383 CB SER A 55 18.299 17.335 -6.244 1.00 0.00 C ATOM 384 OG SER A 55 18.691 16.199 -5.485 1.00 0.00 O ATOM 0 H SER A 55 17.331 15.879 -7.951 1.00 0.00 H new ATOM 0 HA SER A 55 16.285 16.985 -5.573 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.835 17.356 -7.193 1.00 0.00 H new ATOM 0 HB3 SER A 55 18.558 18.250 -5.711 1.00 0.00 H new ATOM 0 HG SER A 55 19.657 16.230 -5.325 1.00 0.00 H new ATOM 390 N LYS A 56 16.005 19.502 -5.939 1.00 0.00 N ATOM 391 CA LYS A 56 15.507 20.839 -6.223 1.00 0.00 C ATOM 392 C LYS A 56 16.520 21.623 -7.048 1.00 0.00 C ATOM 393 O LYS A 56 16.153 22.344 -7.976 1.00 0.00 O ATOM 394 CB LYS A 56 15.237 21.578 -4.913 1.00 0.00 C ATOM 395 CG LYS A 56 14.051 20.932 -4.195 1.00 0.00 C ATOM 396 CD LYS A 56 13.810 21.652 -2.869 1.00 0.00 C ATOM 397 CE LYS A 56 12.649 20.987 -2.126 1.00 0.00 C ATOM 398 NZ LYS A 56 11.377 21.251 -2.856 1.00 0.00 N1+ ATOM 0 H LYS A 56 16.114 19.290 -4.947 1.00 0.00 H new ATOM 0 HA LYS A 56 14.582 20.751 -6.792 1.00 0.00 H new ATOM 0 HB2 LYS A 56 16.121 21.546 -4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 56 15.026 22.628 -5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.159 20.987 -4.819 1.00 0.00 H new ATOM 0 HG3 LYS A 56 14.251 19.875 -4.017 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.712 21.620 -2.258 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.584 22.703 -3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.820 19.913 -2.048 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.584 21.374 -1.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.570 21.029 -2.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.336 22.253 -3.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.336 20.656 -3.708 1.00 0.00 H new ATOM 412 N THR A 57 17.794 21.481 -6.704 1.00 0.00 N ATOM 413 CA THR A 57 18.845 22.189 -7.425 1.00 0.00 C ATOM 414 C THR A 57 18.855 21.778 -8.894 1.00 0.00 C ATOM 415 O THR A 57 18.905 22.629 -9.782 1.00 0.00 O ATOM 416 CB THR A 57 20.207 21.878 -6.800 1.00 0.00 C ATOM 417 OG1 THR A 57 20.346 20.472 -6.649 1.00 0.00 O ATOM 418 CG2 THR A 57 20.311 22.553 -5.431 1.00 0.00 C ATOM 0 H THR A 57 18.122 20.890 -5.940 1.00 0.00 H new ATOM 0 HA THR A 57 18.649 23.259 -7.358 1.00 0.00 H new ATOM 0 HB THR A 57 20.998 22.255 -7.448 1.00 0.00 H new ATOM 0 HG1 THR A 57 21.218 20.270 -6.250 1.00 0.00 H new ATOM 0 HG21 THR A 57 21.282 22.330 -4.988 1.00 0.00 H new ATOM 0 HG22 THR A 57 20.205 23.631 -5.548 1.00 0.00 H new ATOM 0 HG23 THR A 57 19.521 22.179 -4.780 1.00 0.00 H new ATOM 426 N GLN A 58 18.807 20.473 -9.145 1.00 0.00 N ATOM 427 CA GLN A 58 18.809 19.968 -10.509 1.00 0.00 C ATOM 428 C GLN A 58 17.508 20.319 -11.219 1.00 0.00 C ATOM 429 O GLN A 58 17.516 20.875 -12.317 1.00 0.00 O ATOM 430 CB GLN A 58 18.989 18.451 -10.499 1.00 0.00 C ATOM 431 CG GLN A 58 20.398 18.106 -10.014 1.00 0.00 C ATOM 432 CD GLN A 58 20.566 16.593 -9.939 1.00 0.00 C ATOM 433 OE1 GLN A 58 19.622 15.877 -9.603 1.00 0.00 O ATOM 434 NE2 GLN A 58 21.719 16.059 -10.238 1.00 0.00 N ATOM 0 H GLN A 58 18.767 19.752 -8.425 1.00 0.00 H new ATOM 0 HA GLN A 58 19.636 20.434 -11.045 1.00 0.00 H new ATOM 0 HB2 GLN A 58 18.246 17.991 -9.848 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.829 18.049 -11.499 1.00 0.00 H new ATOM 0 HG2 GLN A 58 21.139 18.530 -10.692 1.00 0.00 H new ATOM 0 HG3 GLN A 58 20.573 18.549 -9.034 1.00 0.00 H new ATOM 0 HE21 GLN A 58 22.500 16.654 -10.516 1.00 0.00 H new ATOM 0 HE22 GLN A 58 21.839 15.047 -10.194 1.00 0.00 H new ATOM 443 N TRP A 59 16.385 19.995 -10.588 1.00 0.00 N ATOM 444 CA TRP A 59 15.083 20.277 -11.174 1.00 0.00 C ATOM 445 C TRP A 59 14.959 21.763 -11.506 1.00 0.00 C ATOM 446 O TRP A 59 14.318 22.138 -12.479 1.00 0.00 O ATOM 447 CB TRP A 59 13.967 19.881 -10.200 1.00 0.00 C ATOM 448 CG TRP A 59 12.636 20.266 -10.768 1.00 0.00 C ATOM 449 CD1 TRP A 59 11.974 19.584 -11.730 1.00 0.00 C ATOM 450 CD2 TRP A 59 11.793 21.401 -10.418 1.00 0.00 C ATOM 451 NE1 TRP A 59 10.780 20.232 -12.000 1.00 0.00 N ATOM 452 CE2 TRP A 59 10.624 21.358 -11.216 1.00 0.00 C ATOM 453 CE3 TRP A 59 11.929 22.455 -9.496 1.00 0.00 C ATOM 454 CZ2 TRP A 59 9.626 22.327 -11.103 1.00 0.00 C ATOM 455 CZ3 TRP A 59 10.926 23.431 -9.380 1.00 0.00 C ATOM 456 CH2 TRP A 59 9.777 23.367 -10.182 1.00 0.00 C ATOM 0 H TRP A 59 16.351 19.540 -9.676 1.00 0.00 H new ATOM 0 HA TRP A 59 14.987 19.695 -12.091 1.00 0.00 H new ATOM 0 HB2 TRP A 59 13.997 18.807 -10.016 1.00 0.00 H new ATOM 0 HB3 TRP A 59 14.119 20.373 -9.239 1.00 0.00 H new ATOM 0 HD1 TRP A 59 12.320 18.681 -12.210 1.00 0.00 H new ATOM 0 HE1 TRP A 59 10.100 19.917 -12.692 1.00 0.00 H new ATOM 0 HE3 TRP A 59 12.810 22.514 -8.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 8.743 22.273 -11.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 11.040 24.236 -8.669 1.00 0.00 H new ATOM 0 HH2 TRP A 59 9.010 24.121 -10.088 1.00 0.00 H new ATOM 467 N SER A 60 15.570 22.605 -10.682 1.00 0.00 N ATOM 468 CA SER A 60 15.517 24.048 -10.897 1.00 0.00 C ATOM 469 C SER A 60 16.148 24.431 -12.236 1.00 0.00 C ATOM 470 O SER A 60 15.704 25.373 -12.894 1.00 0.00 O ATOM 471 CB SER A 60 16.250 24.768 -9.764 1.00 0.00 C ATOM 472 OG SER A 60 15.474 24.684 -8.576 1.00 0.00 O ATOM 0 H SER A 60 16.105 22.317 -9.863 1.00 0.00 H new ATOM 0 HA SER A 60 14.470 24.349 -10.911 1.00 0.00 H new ATOM 0 HB2 SER A 60 17.230 24.318 -9.605 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.418 25.812 -10.029 1.00 0.00 H new ATOM 0 HG SER A 60 15.815 23.958 -8.013 1.00 0.00 H new ATOM 478 N LYS A 61 17.191 23.705 -12.625 1.00 0.00 N ATOM 479 CA LYS A 61 17.890 23.981 -13.878 1.00 0.00 C ATOM 480 C LYS A 61 16.963 23.757 -15.065 1.00 0.00 C ATOM 481 O LYS A 61 17.314 24.058 -16.206 1.00 0.00 O ATOM 482 CB LYS A 61 19.099 23.057 -14.007 1.00 0.00 C ATOM 483 CG LYS A 61 20.090 23.359 -12.888 1.00 0.00 C ATOM 484 CD LYS A 61 21.274 22.401 -12.983 1.00 0.00 C ATOM 485 CE LYS A 61 22.228 22.677 -11.825 1.00 0.00 C ATOM 486 NZ LYS A 61 23.386 21.741 -11.896 1.00 0.00 N1+ ATOM 0 H LYS A 61 17.571 22.922 -12.093 1.00 0.00 H new ATOM 0 HA LYS A 61 18.217 25.021 -13.871 1.00 0.00 H new ATOM 0 HB2 LYS A 61 18.782 22.016 -13.955 1.00 0.00 H new ATOM 0 HB3 LYS A 61 19.576 23.197 -14.977 1.00 0.00 H new ATOM 0 HG2 LYS A 61 20.436 24.390 -12.963 1.00 0.00 H new ATOM 0 HG3 LYS A 61 19.602 23.256 -11.919 1.00 0.00 H new ATOM 0 HD2 LYS A 61 20.927 21.368 -12.947 1.00 0.00 H new ATOM 0 HD3 LYS A 61 21.789 22.532 -13.935 1.00 0.00 H new ATOM 0 HE2 LYS A 61 22.578 23.708 -11.867 1.00 0.00 H new ATOM 0 HE3 LYS A 61 21.707 22.556 -10.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 24.035 21.931 -11.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 23.044 20.761 -11.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 23.888 21.877 -12.797 1.00 0.00 H new ATOM 500 N THR A 62 15.783 23.222 -14.784 1.00 0.00 N ATOM 501 CA THR A 62 14.808 22.952 -15.837 1.00 0.00 C ATOM 502 C THR A 62 14.260 24.253 -16.414 1.00 0.00 C ATOM 503 O THR A 62 13.725 24.275 -17.520 1.00 0.00 O ATOM 504 CB THR A 62 13.652 22.112 -15.288 1.00 0.00 C ATOM 505 OG1 THR A 62 12.996 22.831 -14.256 1.00 0.00 O ATOM 506 CG2 THR A 62 14.188 20.786 -14.732 1.00 0.00 C ATOM 0 H THR A 62 15.477 22.967 -13.845 1.00 0.00 H new ATOM 0 HA THR A 62 15.313 22.399 -16.629 1.00 0.00 H new ATOM 0 HB THR A 62 12.946 21.902 -16.092 1.00 0.00 H new ATOM 0 HG1 THR A 62 13.271 22.477 -13.385 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.360 20.193 -14.343 1.00 0.00 H new ATOM 0 HG22 THR A 62 14.688 20.233 -15.528 1.00 0.00 H new ATOM 0 HG23 THR A 62 14.898 20.988 -13.930 1.00 0.00 H new ATOM 514 N PHE A 63 14.401 25.335 -15.650 1.00 0.00 N ATOM 515 CA PHE A 63 13.927 26.653 -16.067 1.00 0.00 C ATOM 516 C PHE A 63 14.940 27.720 -15.680 1.00 0.00 C ATOM 517 O PHE A 63 15.648 27.592 -14.680 1.00 0.00 O ATOM 518 CB PHE A 63 12.574 26.956 -15.416 1.00 0.00 C ATOM 519 CG PHE A 63 12.686 26.784 -13.919 1.00 0.00 C ATOM 520 CD1 PHE A 63 13.236 27.802 -13.131 1.00 0.00 C ATOM 521 CD2 PHE A 63 12.238 25.601 -13.323 1.00 0.00 C ATOM 522 CE1 PHE A 63 13.339 27.633 -11.744 1.00 0.00 C ATOM 523 CE2 PHE A 63 12.340 25.431 -11.939 1.00 0.00 C ATOM 524 CZ PHE A 63 12.891 26.447 -11.148 1.00 0.00 C ATOM 0 H PHE A 63 14.844 25.323 -14.731 1.00 0.00 H new ATOM 0 HA PHE A 63 13.807 26.656 -17.150 1.00 0.00 H new ATOM 0 HB2 PHE A 63 12.264 27.973 -15.654 1.00 0.00 H new ATOM 0 HB3 PHE A 63 11.809 26.288 -15.813 1.00 0.00 H new ATOM 0 HD1 PHE A 63 13.580 28.716 -13.592 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.813 24.818 -13.933 1.00 0.00 H new ATOM 0 HE1 PHE A 63 13.764 28.417 -11.134 1.00 0.00 H new ATOM 0 HE2 PHE A 63 11.994 24.517 -11.480 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.970 26.316 -10.079 1.00 0.00 H new ATOM 534 N THR A 64 15.007 28.776 -16.486 1.00 0.00 N ATOM 535 CA THR A 64 15.935 29.879 -16.249 1.00 0.00 C ATOM 536 C THR A 64 15.174 31.192 -16.167 1.00 0.00 C ATOM 537 O THR A 64 14.007 31.267 -16.536 1.00 0.00 O ATOM 538 CB THR A 64 16.958 29.947 -17.387 1.00 0.00 C ATOM 539 OG1 THR A 64 16.284 29.839 -18.634 1.00 0.00 O ATOM 540 CG2 THR A 64 17.968 28.808 -17.245 1.00 0.00 C ATOM 0 H THR A 64 14.425 28.892 -17.316 1.00 0.00 H new ATOM 0 HA THR A 64 16.454 29.709 -15.306 1.00 0.00 H new ATOM 0 HB THR A 64 17.487 30.899 -17.342 1.00 0.00 H new ATOM 0 HG1 THR A 64 16.937 29.884 -19.364 1.00 0.00 H new ATOM 0 HG21 THR A 64 18.693 28.861 -18.057 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.486 28.898 -16.290 1.00 0.00 H new ATOM 0 HG23 THR A 64 17.446 27.852 -17.287 1.00 0.00 H new ATOM 548 N PHE A 65 15.836 32.227 -15.666 1.00 0.00 N ATOM 549 CA PHE A 65 15.205 33.539 -15.527 1.00 0.00 C ATOM 550 C PHE A 65 15.638 34.460 -16.667 1.00 0.00 C ATOM 551 O PHE A 65 16.828 34.699 -16.872 1.00 0.00 O ATOM 552 CB PHE A 65 15.600 34.147 -14.162 1.00 0.00 C ATOM 553 CG PHE A 65 14.379 34.697 -13.452 1.00 0.00 C ATOM 554 CD1 PHE A 65 13.327 33.837 -13.121 1.00 0.00 C ATOM 555 CD2 PHE A 65 14.294 36.060 -13.136 1.00 0.00 C ATOM 556 CE1 PHE A 65 12.191 34.335 -12.475 1.00 0.00 C ATOM 557 CE2 PHE A 65 13.157 36.559 -12.488 1.00 0.00 C ATOM 558 CZ PHE A 65 12.105 35.695 -12.160 1.00 0.00 C ATOM 0 H PHE A 65 16.805 32.187 -15.350 1.00 0.00 H new ATOM 0 HA PHE A 65 14.122 33.429 -15.574 1.00 0.00 H new ATOM 0 HB2 PHE A 65 16.076 33.387 -13.543 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.331 34.942 -14.309 1.00 0.00 H new ATOM 0 HD1 PHE A 65 13.392 32.787 -13.365 1.00 0.00 H new ATOM 0 HD2 PHE A 65 15.105 36.725 -13.392 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.380 33.669 -12.219 1.00 0.00 H new ATOM 0 HE2 PHE A 65 13.092 37.609 -12.242 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.226 36.079 -11.663 1.00 0.00 H new ATOM 568 N VAL A 66 14.659 34.974 -17.404 1.00 0.00 N ATOM 569 CA VAL A 66 14.924 35.874 -18.522 1.00 0.00 C ATOM 570 C VAL A 66 14.014 37.095 -18.443 1.00 0.00 C ATOM 571 O VAL A 66 12.814 36.976 -18.193 1.00 0.00 O ATOM 572 CB VAL A 66 14.702 35.134 -19.846 1.00 0.00 C ATOM 573 CG1 VAL A 66 14.714 36.129 -21.013 1.00 0.00 C ATOM 574 CG2 VAL A 66 15.827 34.112 -20.031 1.00 0.00 C ATOM 0 H VAL A 66 13.670 34.782 -17.246 1.00 0.00 H new ATOM 0 HA VAL A 66 15.960 36.209 -18.471 1.00 0.00 H new ATOM 0 HB VAL A 66 13.736 34.629 -19.826 1.00 0.00 H new ATOM 0 HG11 VAL A 66 14.556 35.594 -21.949 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.919 36.862 -20.875 1.00 0.00 H new ATOM 0 HG13 VAL A 66 15.676 36.640 -21.046 1.00 0.00 H new ATOM 0 HG21 VAL A 66 15.682 33.577 -20.970 1.00 0.00 H new ATOM 0 HG22 VAL A 66 16.787 34.628 -20.051 1.00 0.00 H new ATOM 0 HG23 VAL A 66 15.814 33.403 -19.204 1.00 0.00 H new ATOM 584 N ARG A 67 14.595 38.267 -18.665 1.00 0.00 N ATOM 585 CA ARG A 67 13.833 39.506 -18.624 1.00 0.00 C ATOM 586 C ARG A 67 13.053 39.624 -17.318 1.00 0.00 C ATOM 587 O ARG A 67 12.050 40.336 -17.247 1.00 0.00 O ATOM 588 CB ARG A 67 12.865 39.553 -19.807 1.00 0.00 C ATOM 589 CG ARG A 67 13.658 39.701 -21.107 1.00 0.00 C ATOM 590 CD ARG A 67 12.700 39.644 -22.298 1.00 0.00 C ATOM 591 NE ARG A 67 11.771 40.769 -22.249 1.00 0.00 N ATOM 592 CZ ARG A 67 12.103 41.958 -22.743 1.00 0.00 C ATOM 593 NH1 ARG A 67 13.279 42.136 -23.280 1.00 0.00 N ATOM 594 NH2 ARG A 67 11.254 42.948 -22.691 1.00 0.00 N1+ ATOM 0 H ARG A 67 15.586 38.385 -18.874 1.00 0.00 H new ATOM 0 HA ARG A 67 14.530 40.341 -18.685 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.264 38.644 -19.836 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.174 40.388 -19.693 1.00 0.00 H new ATOM 0 HG2 ARG A 67 14.201 40.646 -21.109 1.00 0.00 H new ATOM 0 HG3 ARG A 67 14.400 38.907 -21.185 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.264 39.669 -23.230 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.147 38.705 -22.285 1.00 0.00 H new ATOM 0 HE ARG A 67 10.851 40.641 -21.828 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.943 41.363 -23.321 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.534 43.048 -23.659 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.335 42.810 -22.271 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.510 43.860 -23.070 1.00 0.00 H new ATOM 608 N GLY A 68 13.522 38.932 -16.284 1.00 0.00 N ATOM 609 CA GLY A 68 12.862 38.973 -14.985 1.00 0.00 C ATOM 610 C GLY A 68 11.696 37.991 -14.929 1.00 0.00 C ATOM 611 O GLY A 68 10.827 38.096 -14.064 1.00 0.00 O ATOM 0 H GLY A 68 14.352 38.340 -16.320 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.581 38.734 -14.201 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.501 39.983 -14.789 1.00 0.00 H new ATOM 615 N ARG A 69 11.682 37.034 -15.860 1.00 0.00 N ATOM 616 CA ARG A 69 10.614 36.029 -15.914 1.00 0.00 C ATOM 617 C ARG A 69 11.206 34.630 -16.016 1.00 0.00 C ATOM 618 O ARG A 69 12.282 34.445 -16.574 1.00 0.00 O ATOM 619 CB ARG A 69 9.719 36.288 -17.123 1.00 0.00 C ATOM 620 CG ARG A 69 9.079 37.668 -16.990 1.00 0.00 C ATOM 621 CD ARG A 69 8.170 37.925 -18.190 1.00 0.00 C ATOM 622 NE ARG A 69 8.965 38.046 -19.407 1.00 0.00 N ATOM 623 CZ ARG A 69 8.402 37.950 -20.605 1.00 0.00 C ATOM 624 NH1 ARG A 69 7.117 37.739 -20.706 1.00 0.00 N ATOM 625 NH2 ARG A 69 9.132 38.061 -21.679 1.00 0.00 N1+ ATOM 0 H ARG A 69 12.393 36.933 -16.584 1.00 0.00 H new ATOM 0 HA ARG A 69 10.025 36.101 -15.000 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.304 36.232 -18.041 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.947 35.521 -17.190 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.504 37.727 -16.066 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.851 38.435 -16.934 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.454 37.110 -18.294 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.594 38.837 -18.031 1.00 0.00 H new ATOM 0 HE ARG A 69 9.970 38.207 -19.336 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.547 37.648 -19.865 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.683 37.665 -21.626 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.136 38.222 -21.599 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.699 37.987 -22.600 1.00 0.00 H new ATOM 639 N THR A 70 10.492 33.645 -15.487 1.00 0.00 N ATOM 640 CA THR A 70 10.961 32.262 -15.534 1.00 0.00 C ATOM 641 C THR A 70 10.656 31.639 -16.896 1.00 0.00 C ATOM 642 O THR A 70 9.536 31.743 -17.397 1.00 0.00 O ATOM 643 CB THR A 70 10.282 31.449 -14.430 1.00 0.00 C ATOM 644 OG1 THR A 70 10.912 30.180 -14.320 1.00 0.00 O ATOM 645 CG2 THR A 70 8.805 31.261 -14.772 1.00 0.00 C ATOM 0 H THR A 70 9.593 33.774 -15.023 1.00 0.00 H new ATOM 0 HA THR A 70 12.040 32.254 -15.380 1.00 0.00 H new ATOM 0 HB THR A 70 10.369 31.979 -13.481 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.478 29.660 -13.612 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.320 30.682 -13.986 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.324 32.235 -14.854 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.716 30.731 -15.720 1.00 0.00 H new ATOM 653 N VAL A 71 11.656 30.992 -17.488 1.00 0.00 N ATOM 654 CA VAL A 71 11.493 30.352 -18.794 1.00 0.00 C ATOM 655 C VAL A 71 12.000 28.912 -18.750 1.00 0.00 C ATOM 656 O VAL A 71 13.124 28.651 -18.326 1.00 0.00 O ATOM 657 CB VAL A 71 12.264 31.149 -19.853 1.00 0.00 C ATOM 658 CG1 VAL A 71 11.466 32.399 -20.233 1.00 0.00 C ATOM 659 CG2 VAL A 71 13.626 31.576 -19.287 1.00 0.00 C ATOM 0 H VAL A 71 12.588 30.896 -17.086 1.00 0.00 H new ATOM 0 HA VAL A 71 10.434 30.336 -19.052 1.00 0.00 H new ATOM 0 HB VAL A 71 12.413 30.525 -20.734 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.014 32.966 -20.986 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.497 32.104 -20.635 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.318 33.019 -19.349 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.172 32.142 -20.041 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.475 32.198 -18.405 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.199 30.691 -19.012 1.00 0.00 H new ATOM 669 N SER A 72 11.163 27.980 -19.199 1.00 0.00 N ATOM 670 CA SER A 72 11.543 26.573 -19.215 1.00 0.00 C ATOM 671 C SER A 72 12.717 26.359 -20.163 1.00 0.00 C ATOM 672 O SER A 72 12.676 26.786 -21.316 1.00 0.00 O ATOM 673 CB SER A 72 10.354 25.717 -19.658 1.00 0.00 C ATOM 674 OG SER A 72 10.016 26.044 -20.999 1.00 0.00 O ATOM 0 H SER A 72 10.226 28.172 -19.553 1.00 0.00 H new ATOM 0 HA SER A 72 11.841 26.276 -18.209 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.604 24.659 -19.581 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.501 25.891 -19.002 1.00 0.00 H new ATOM 0 HG SER A 72 10.807 26.395 -21.459 1.00 0.00 H new ATOM 680 N VAL A 73 13.764 25.699 -19.676 1.00 0.00 N ATOM 681 CA VAL A 73 14.938 25.448 -20.506 1.00 0.00 C ATOM 682 C VAL A 73 14.566 24.552 -21.687 1.00 0.00 C ATOM 683 O VAL A 73 13.864 23.555 -21.523 1.00 0.00 O ATOM 684 CB VAL A 73 16.037 24.777 -19.673 1.00 0.00 C ATOM 685 CG1 VAL A 73 17.205 24.384 -20.581 1.00 0.00 C ATOM 686 CG2 VAL A 73 16.544 25.744 -18.597 1.00 0.00 C ATOM 0 H VAL A 73 13.824 25.333 -18.726 1.00 0.00 H new ATOM 0 HA VAL A 73 15.308 26.400 -20.885 1.00 0.00 H new ATOM 0 HB VAL A 73 15.624 23.888 -19.197 1.00 0.00 H new ATOM 0 HG11 VAL A 73 17.984 23.908 -19.986 1.00 0.00 H new ATOM 0 HG12 VAL A 73 16.855 23.689 -21.344 1.00 0.00 H new ATOM 0 HG13 VAL A 73 17.609 25.276 -21.061 1.00 0.00 H new ATOM 0 HG21 VAL A 73 17.324 25.259 -18.010 1.00 0.00 H new ATOM 0 HG22 VAL A 73 16.950 26.637 -19.072 1.00 0.00 H new ATOM 0 HG23 VAL A 73 15.719 26.025 -17.942 1.00 0.00 H new ATOM 696 N SER A 74 15.034 24.918 -22.878 1.00 0.00 N ATOM 697 CA SER A 74 14.738 24.142 -24.079 1.00 0.00 C ATOM 698 C SER A 74 15.264 22.717 -23.949 1.00 0.00 C ATOM 699 O SER A 74 14.591 21.761 -24.336 1.00 0.00 O ATOM 700 CB SER A 74 15.372 24.808 -25.301 1.00 0.00 C ATOM 701 OG SER A 74 14.808 26.101 -25.476 1.00 0.00 O ATOM 0 H SER A 74 15.615 25.741 -23.037 1.00 0.00 H new ATOM 0 HA SER A 74 13.655 24.106 -24.201 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.451 24.884 -25.169 1.00 0.00 H new ATOM 0 HB3 SER A 74 15.202 24.201 -26.190 1.00 0.00 H new ATOM 0 HG SER A 74 15.213 26.532 -26.257 1.00 0.00 H new ATOM 707 N ASP A 75 16.470 22.579 -23.407 1.00 0.00 N ATOM 708 CA ASP A 75 17.080 21.260 -23.236 1.00 0.00 C ATOM 709 C ASP A 75 17.972 21.232 -21.992 1.00 0.00 C ATOM 710 O ASP A 75 19.191 21.367 -22.098 1.00 0.00 O ATOM 711 CB ASP A 75 17.918 20.910 -24.469 1.00 0.00 C ATOM 712 CG ASP A 75 18.265 19.425 -24.452 1.00 0.00 C ATOM 713 OD1 ASP A 75 17.379 18.635 -24.168 1.00 0.00 O1- ATOM 714 OD2 ASP A 75 19.409 19.102 -24.723 1.00 0.00 O ATOM 0 H ASP A 75 17.043 23.357 -23.080 1.00 0.00 H new ATOM 0 HA ASP A 75 16.282 20.528 -23.113 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.366 21.154 -25.377 1.00 0.00 H new ATOM 0 HB3 ASP A 75 18.830 21.506 -24.481 1.00 0.00 H new ATOM 719 N PRO A 76 17.396 21.064 -20.821 1.00 0.00 N ATOM 720 CA PRO A 76 18.176 21.025 -19.551 1.00 0.00 C ATOM 721 C PRO A 76 18.882 19.685 -19.354 1.00 0.00 C ATOM 722 O PRO A 76 18.357 18.636 -19.727 1.00 0.00 O ATOM 723 CB PRO A 76 17.117 21.275 -18.469 1.00 0.00 C ATOM 724 CG PRO A 76 15.834 20.756 -19.047 1.00 0.00 C ATOM 725 CD PRO A 76 15.950 20.882 -20.578 1.00 0.00 C ATOM 0 HA PRO A 76 18.979 21.761 -19.532 1.00 0.00 H new ATOM 0 HB2 PRO A 76 17.370 20.757 -17.544 1.00 0.00 H new ATOM 0 HB3 PRO A 76 17.041 22.336 -18.230 1.00 0.00 H new ATOM 0 HG2 PRO A 76 15.671 19.718 -18.756 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.984 21.328 -18.676 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.571 19.992 -21.080 1.00 0.00 H new ATOM 0 HD3 PRO A 76 15.374 21.728 -20.952 1.00 0.00 H new ATOM 733 N LYS A 77 20.077 19.729 -18.763 1.00 0.00 N ATOM 734 CA LYS A 77 20.859 18.517 -18.515 1.00 0.00 C ATOM 735 C LYS A 77 21.046 18.308 -17.022 1.00 0.00 C ATOM 736 O LYS A 77 21.693 19.109 -16.346 1.00 0.00 O ATOM 737 CB LYS A 77 22.227 18.634 -19.185 1.00 0.00 C ATOM 738 CG LYS A 77 22.045 18.640 -20.702 1.00 0.00 C ATOM 739 CD LYS A 77 23.396 18.888 -21.384 1.00 0.00 C ATOM 740 CE LYS A 77 24.265 17.626 -21.326 1.00 0.00 C ATOM 741 NZ LYS A 77 25.424 17.785 -22.250 1.00 0.00 N1+ ATOM 0 H LYS A 77 20.524 20.590 -18.448 1.00 0.00 H new ATOM 0 HA LYS A 77 20.321 17.665 -18.931 1.00 0.00 H new ATOM 0 HB2 LYS A 77 22.726 19.548 -18.863 1.00 0.00 H new ATOM 0 HB3 LYS A 77 22.864 17.801 -18.886 1.00 0.00 H new ATOM 0 HG2 LYS A 77 21.630 17.688 -21.032 1.00 0.00 H new ATOM 0 HG3 LYS A 77 21.334 19.415 -20.990 1.00 0.00 H new ATOM 0 HD2 LYS A 77 23.238 19.181 -22.422 1.00 0.00 H new ATOM 0 HD3 LYS A 77 23.911 19.715 -20.895 1.00 0.00 H new ATOM 0 HE2 LYS A 77 24.617 17.459 -20.308 1.00 0.00 H new ATOM 0 HE3 LYS A 77 23.677 16.752 -21.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 26.016 16.931 -22.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 25.078 17.925 -23.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 25.988 18.610 -21.961 1.00 0.00 H new ATOM 755 N VAL A 78 20.482 17.219 -16.517 1.00 0.00 N ATOM 756 CA VAL A 78 20.588 16.883 -15.103 1.00 0.00 C ATOM 757 C VAL A 78 20.698 15.371 -14.921 1.00 0.00 C ATOM 758 O VAL A 78 20.427 14.602 -15.840 1.00 0.00 O ATOM 759 CB VAL A 78 19.370 17.424 -14.342 1.00 0.00 C ATOM 760 CG1 VAL A 78 19.577 18.905 -14.011 1.00 0.00 C ATOM 761 CG2 VAL A 78 18.117 17.288 -15.213 1.00 0.00 C ATOM 0 H VAL A 78 19.944 16.550 -17.068 1.00 0.00 H new ATOM 0 HA VAL A 78 21.489 17.345 -14.700 1.00 0.00 H new ATOM 0 HB VAL A 78 19.250 16.853 -13.421 1.00 0.00 H new ATOM 0 HG11 VAL A 78 18.708 19.282 -13.471 1.00 0.00 H new ATOM 0 HG12 VAL A 78 20.467 19.018 -13.392 1.00 0.00 H new ATOM 0 HG13 VAL A 78 19.703 19.470 -14.935 1.00 0.00 H new ATOM 0 HG21 VAL A 78 17.253 17.673 -14.671 1.00 0.00 H new ATOM 0 HG22 VAL A 78 18.250 17.857 -16.133 1.00 0.00 H new ATOM 0 HG23 VAL A 78 17.955 16.238 -15.456 1.00 0.00 H new ATOM 771 N ILE A 79 21.102 14.959 -13.721 1.00 0.00 N ATOM 772 CA ILE A 79 21.257 13.539 -13.397 1.00 0.00 C ATOM 773 C ILE A 79 20.435 13.182 -12.154 1.00 0.00 C ATOM 774 O ILE A 79 20.016 14.066 -11.404 1.00 0.00 O ATOM 775 CB ILE A 79 22.740 13.231 -13.153 1.00 0.00 C ATOM 776 CG1 ILE A 79 23.513 13.405 -14.465 1.00 0.00 C ATOM 777 CG2 ILE A 79 22.891 11.799 -12.634 1.00 0.00 C ATOM 778 CD1 ILE A 79 25.007 13.181 -14.221 1.00 0.00 C ATOM 0 H ILE A 79 21.329 15.590 -12.953 1.00 0.00 H new ATOM 0 HA ILE A 79 20.895 12.941 -14.233 1.00 0.00 H new ATOM 0 HB ILE A 79 23.141 13.917 -12.407 1.00 0.00 H new ATOM 0 HG12 ILE A 79 23.147 12.698 -15.210 1.00 0.00 H new ATOM 0 HG13 ILE A 79 23.347 14.405 -14.866 1.00 0.00 H new ATOM 0 HG21 ILE A 79 23.946 11.584 -12.462 1.00 0.00 H new ATOM 0 HG22 ILE A 79 22.341 11.691 -11.699 1.00 0.00 H new ATOM 0 HG23 ILE A 79 22.494 11.101 -13.371 1.00 0.00 H new ATOM 0 HD11 ILE A 79 25.551 13.306 -15.157 1.00 0.00 H new ATOM 0 HD12 ILE A 79 25.369 13.905 -13.491 1.00 0.00 H new ATOM 0 HD13 ILE A 79 25.166 12.172 -13.841 1.00 0.00 H new ATOM 790 N CYS A 80 20.215 11.883 -11.940 1.00 0.00 N ATOM 791 CA CYS A 80 19.447 11.419 -10.784 1.00 0.00 C ATOM 792 C CYS A 80 20.281 11.485 -9.513 1.00 0.00 C ATOM 793 O CYS A 80 21.510 11.491 -9.557 1.00 0.00 O ATOM 794 CB CYS A 80 18.974 9.972 -10.986 1.00 0.00 C ATOM 795 SG CYS A 80 18.443 9.728 -12.691 1.00 0.00 S ATOM 0 H CYS A 80 20.556 11.138 -12.548 1.00 0.00 H new ATOM 0 HA CYS A 80 18.583 12.076 -10.687 1.00 0.00 H new ATOM 0 HB2 CYS A 80 19.781 9.280 -10.746 1.00 0.00 H new ATOM 0 HB3 CYS A 80 18.152 9.751 -10.305 1.00 0.00 H new ATOM 800 N ARG A 81 19.600 11.521 -8.381 1.00 0.00 N ATOM 801 CA ARG A 81 20.283 11.571 -7.102 1.00 0.00 C ATOM 802 C ARG A 81 21.087 10.292 -6.882 1.00 0.00 C ATOM 803 O ARG A 81 22.185 10.330 -6.330 1.00 0.00 O ATOM 804 CB ARG A 81 19.272 11.752 -5.971 1.00 0.00 C ATOM 805 CG ARG A 81 18.695 13.167 -6.026 1.00 0.00 C ATOM 806 CD ARG A 81 17.628 13.321 -4.943 1.00 0.00 C ATOM 807 NE ARG A 81 18.236 13.221 -3.621 1.00 0.00 N ATOM 808 CZ ARG A 81 17.489 13.193 -2.522 1.00 0.00 C ATOM 809 NH1 ARG A 81 16.188 13.244 -2.618 1.00 0.00 N ATOM 810 NH2 ARG A 81 18.056 13.114 -1.349 1.00 0.00 N1+ ATOM 0 H ARG A 81 18.582 11.517 -8.322 1.00 0.00 H new ATOM 0 HA ARG A 81 20.966 12.421 -7.105 1.00 0.00 H new ATOM 0 HB2 ARG A 81 18.472 11.017 -6.063 1.00 0.00 H new ATOM 0 HB3 ARG A 81 19.753 11.581 -5.008 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.487 13.901 -5.879 1.00 0.00 H new ATOM 0 HG3 ARG A 81 18.263 13.358 -7.008 1.00 0.00 H new ATOM 0 HD2 ARG A 81 17.127 14.283 -5.049 1.00 0.00 H new ATOM 0 HD3 ARG A 81 16.866 12.550 -5.060 1.00 0.00 H new ATOM 0 HE ARG A 81 19.251 13.172 -3.538 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.746 13.305 -3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.613 13.223 -1.776 1.00 0.00 H new ATOM 0 HH21 ARG A 81 19.073 13.074 -1.276 1.00 0.00 H new ATOM 0 HH22 ARG A 81 17.483 13.093 -0.506 1.00 0.00 H new ATOM 824 N THR A 82 20.534 9.160 -7.311 1.00 0.00 N ATOM 825 CA THR A 82 21.211 7.874 -7.151 1.00 0.00 C ATOM 826 C THR A 82 22.368 7.731 -8.140 1.00 0.00 C ATOM 827 O THR A 82 23.414 7.172 -7.809 1.00 0.00 O ATOM 828 CB THR A 82 20.221 6.734 -7.383 1.00 0.00 C ATOM 829 OG1 THR A 82 19.900 6.669 -8.765 1.00 0.00 O ATOM 830 CG2 THR A 82 18.945 6.984 -6.578 1.00 0.00 C ATOM 0 H THR A 82 19.624 9.106 -7.770 1.00 0.00 H new ATOM 0 HA THR A 82 21.607 7.830 -6.136 1.00 0.00 H new ATOM 0 HB THR A 82 20.670 5.794 -7.062 1.00 0.00 H new ATOM 0 HG1 THR A 82 19.266 5.938 -8.920 1.00 0.00 H new ATOM 0 HG21 THR A 82 18.242 6.168 -6.747 1.00 0.00 H new ATOM 0 HG22 THR A 82 19.189 7.039 -5.517 1.00 0.00 H new ATOM 0 HG23 THR A 82 18.493 7.924 -6.895 1.00 0.00 H new ATOM 838 N CYS A 83 22.168 8.232 -9.357 1.00 0.00 N ATOM 839 CA CYS A 83 23.195 8.150 -10.390 1.00 0.00 C ATOM 840 C CYS A 83 24.472 8.835 -9.911 1.00 0.00 C ATOM 841 O CYS A 83 25.575 8.467 -10.316 1.00 0.00 O ATOM 842 CB CYS A 83 22.688 8.821 -11.681 1.00 0.00 C ATOM 843 SG CYS A 83 21.837 7.618 -12.729 1.00 0.00 S ATOM 0 H CYS A 83 21.308 8.697 -9.650 1.00 0.00 H new ATOM 0 HA CYS A 83 23.414 7.102 -10.595 1.00 0.00 H new ATOM 0 HB2 CYS A 83 22.011 9.638 -11.431 1.00 0.00 H new ATOM 0 HB3 CYS A 83 23.526 9.257 -12.225 1.00 0.00 H new ATOM 848 N GLN A 84 24.311 9.845 -9.063 1.00 0.00 N ATOM 849 CA GLN A 84 25.456 10.588 -8.552 1.00 0.00 C ATOM 850 C GLN A 84 26.579 9.635 -8.117 1.00 0.00 C ATOM 851 O GLN A 84 26.308 8.513 -7.687 1.00 0.00 O ATOM 852 CB GLN A 84 25.029 11.455 -7.361 1.00 0.00 C ATOM 853 CG GLN A 84 24.238 12.671 -7.858 1.00 0.00 C ATOM 854 CD GLN A 84 25.195 13.723 -8.410 1.00 0.00 C ATOM 855 OE1 GLN A 84 25.708 13.577 -9.519 1.00 0.00 O ATOM 856 NE2 GLN A 84 25.470 14.781 -7.695 1.00 0.00 N ATOM 0 H GLN A 84 23.406 10.166 -8.717 1.00 0.00 H new ATOM 0 HA GLN A 84 25.832 11.226 -9.352 1.00 0.00 H new ATOM 0 HB2 GLN A 84 24.418 10.869 -6.674 1.00 0.00 H new ATOM 0 HB3 GLN A 84 25.907 11.784 -6.806 1.00 0.00 H new ATOM 0 HG2 GLN A 84 23.534 12.366 -8.632 1.00 0.00 H new ATOM 0 HG3 GLN A 84 23.652 13.093 -7.042 1.00 0.00 H new ATOM 0 HE21 GLN A 84 25.044 14.900 -6.776 1.00 0.00 H new ATOM 0 HE22 GLN A 84 26.111 15.488 -8.056 1.00 0.00 H new ATOM 865 N PRO A 85 27.826 10.058 -8.198 1.00 0.00 N ATOM 866 CA PRO A 85 28.981 9.213 -7.779 1.00 0.00 C ATOM 867 C PRO A 85 28.716 8.479 -6.463 1.00 0.00 C ATOM 868 O PRO A 85 27.825 8.851 -5.701 1.00 0.00 O ATOM 869 CB PRO A 85 30.134 10.218 -7.621 1.00 0.00 C ATOM 870 CG PRO A 85 29.795 11.370 -8.521 1.00 0.00 C ATOM 871 CD PRO A 85 28.268 11.373 -8.706 1.00 0.00 C ATOM 0 HA PRO A 85 29.191 8.426 -8.503 1.00 0.00 H new ATOM 0 HB2 PRO A 85 30.229 10.545 -6.586 1.00 0.00 H new ATOM 0 HB3 PRO A 85 31.086 9.769 -7.902 1.00 0.00 H new ATOM 0 HG2 PRO A 85 30.131 12.310 -8.084 1.00 0.00 H new ATOM 0 HG3 PRO A 85 30.298 11.267 -9.482 1.00 0.00 H new ATOM 0 HD2 PRO A 85 27.804 12.188 -8.151 1.00 0.00 H new ATOM 0 HD3 PRO A 85 27.996 11.505 -9.753 1.00 0.00 H new ATOM 879 N LYS A 86 29.499 7.434 -6.214 1.00 0.00 N ATOM 880 CA LYS A 86 29.348 6.650 -4.995 1.00 0.00 C ATOM 881 C LYS A 86 29.637 7.511 -3.773 1.00 0.00 C ATOM 882 O LYS A 86 30.594 8.284 -3.760 1.00 0.00 O ATOM 883 CB LYS A 86 30.320 5.467 -5.020 1.00 0.00 C ATOM 884 CG LYS A 86 30.082 4.606 -6.269 1.00 0.00 C ATOM 885 CD LYS A 86 28.699 3.946 -6.209 1.00 0.00 C ATOM 886 CE LYS A 86 28.656 2.764 -7.183 1.00 0.00 C ATOM 887 NZ LYS A 86 28.879 3.259 -8.570 1.00 0.00 N1+ ATOM 0 H LYS A 86 30.240 7.112 -6.837 1.00 0.00 H new ATOM 0 HA LYS A 86 28.323 6.284 -4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 86 31.347 5.832 -5.012 1.00 0.00 H new ATOM 0 HB3 LYS A 86 30.190 4.862 -4.123 1.00 0.00 H new ATOM 0 HG2 LYS A 86 30.159 5.224 -7.164 1.00 0.00 H new ATOM 0 HG3 LYS A 86 30.854 3.840 -6.343 1.00 0.00 H new ATOM 0 HD2 LYS A 86 28.491 3.604 -5.195 1.00 0.00 H new ATOM 0 HD3 LYS A 86 27.927 4.671 -6.465 1.00 0.00 H new ATOM 0 HE2 LYS A 86 29.420 2.033 -6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 86 27.693 2.258 -7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 28.603 2.522 -9.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 28.305 4.111 -8.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 29.885 3.490 -8.699 1.00 0.00 H new ATOM 901 N GLN A 87 28.800 7.374 -2.747 1.00 0.00 N ATOM 902 CA GLN A 87 28.967 8.150 -1.520 1.00 0.00 C ATOM 903 C GLN A 87 28.530 7.332 -0.308 1.00 0.00 C ATOM 904 O GLN A 87 28.951 7.599 0.817 1.00 0.00 O ATOM 905 CB GLN A 87 28.136 9.432 -1.604 1.00 0.00 C ATOM 906 CG GLN A 87 28.453 10.325 -0.405 1.00 0.00 C ATOM 907 CD GLN A 87 27.647 11.616 -0.487 1.00 0.00 C ATOM 908 OE1 GLN A 87 26.453 11.587 -0.784 1.00 0.00 O ATOM 909 NE2 GLN A 87 28.235 12.754 -0.240 1.00 0.00 N ATOM 0 H GLN A 87 28.004 6.737 -2.740 1.00 0.00 H new ATOM 0 HA GLN A 87 30.021 8.406 -1.408 1.00 0.00 H new ATOM 0 HB2 GLN A 87 28.355 9.960 -2.532 1.00 0.00 H new ATOM 0 HB3 GLN A 87 27.074 9.189 -1.619 1.00 0.00 H new ATOM 0 HG2 GLN A 87 28.220 9.800 0.521 1.00 0.00 H new ATOM 0 HG3 GLN A 87 29.519 10.553 -0.383 1.00 0.00 H new ATOM 0 HE21 GLN A 87 29.225 12.774 0.006 1.00 0.00 H new ATOM 0 HE22 GLN A 87 27.705 13.624 -0.293 1.00 0.00 H new ATOM 918 N HIS A 88 27.683 6.329 -0.545 1.00 0.00 N ATOM 919 CA HIS A 88 27.191 5.471 0.536 1.00 0.00 C ATOM 920 C HIS A 88 27.877 4.108 0.487 1.00 0.00 C ATOM 921 O HIS A 88 27.575 3.280 -0.371 1.00 0.00 O ATOM 922 CB HIS A 88 25.678 5.285 0.399 1.00 0.00 C ATOM 923 CG HIS A 88 25.011 6.630 0.334 1.00 0.00 C ATOM 924 ND1 HIS A 88 24.828 7.304 -0.863 1.00 0.00 N ATOM 925 CD2 HIS A 88 24.481 7.443 1.306 1.00 0.00 C ATOM 926 CE1 HIS A 88 24.211 8.467 -0.585 1.00 0.00 C ATOM 927 NE2 HIS A 88 23.976 8.601 0.723 1.00 0.00 N ATOM 0 H HIS A 88 27.325 6.091 -1.470 1.00 0.00 H new ATOM 0 HA HIS A 88 27.417 5.947 1.490 1.00 0.00 H new ATOM 0 HB2 HIS A 88 25.451 4.711 -0.500 1.00 0.00 H new ATOM 0 HB3 HIS A 88 25.293 4.717 1.246 1.00 0.00 H new ATOM 0 HD2 HIS A 88 24.460 7.218 2.362 1.00 0.00 H new ATOM 0 HE1 HIS A 88 23.939 9.202 -1.328 1.00 0.00 H new ATOM 0 HE2 HIS A 88 23.523 9.385 1.194 1.00 0.00 H new ATOM 935 N ASP A 89 28.805 3.885 1.418 1.00 0.00 N ATOM 936 CA ASP A 89 29.536 2.621 1.481 1.00 0.00 C ATOM 937 C ASP A 89 28.787 1.619 2.353 1.00 0.00 C ATOM 938 O ASP A 89 29.233 0.487 2.537 1.00 0.00 O ATOM 939 CB ASP A 89 30.933 2.858 2.055 1.00 0.00 C ATOM 940 CG ASP A 89 30.829 3.551 3.410 1.00 0.00 C ATOM 941 OD1 ASP A 89 29.725 3.895 3.794 1.00 0.00 O1- ATOM 942 OD2 ASP A 89 31.857 3.726 4.043 1.00 0.00 O ATOM 0 H ASP A 89 29.067 4.561 2.136 1.00 0.00 H new ATOM 0 HA ASP A 89 29.622 2.216 0.473 1.00 0.00 H new ATOM 0 HB2 ASP A 89 31.457 1.908 2.162 1.00 0.00 H new ATOM 0 HB3 ASP A 89 31.518 3.469 1.368 1.00 0.00 H new ATOM 947 N SER A 90 27.646 2.047 2.890 1.00 0.00 N ATOM 948 CA SER A 90 26.831 1.184 3.746 1.00 0.00 C ATOM 949 C SER A 90 25.369 1.254 3.331 1.00 0.00 C ATOM 950 O SER A 90 24.903 2.276 2.827 1.00 0.00 O ATOM 951 CB SER A 90 26.968 1.613 5.207 1.00 0.00 C ATOM 952 OG SER A 90 26.069 2.684 5.467 1.00 0.00 O ATOM 0 H SER A 90 27.265 2.983 2.749 1.00 0.00 H new ATOM 0 HA SER A 90 27.183 0.158 3.636 1.00 0.00 H new ATOM 0 HB2 SER A 90 26.752 0.773 5.867 1.00 0.00 H new ATOM 0 HB3 SER A 90 27.992 1.924 5.412 1.00 0.00 H new ATOM 0 HG SER A 90 26.152 2.961 6.403 1.00 0.00 H new ATOM 958 N ILE A 91 24.650 0.155 3.543 1.00 0.00 N ATOM 959 CA ILE A 91 23.231 0.083 3.187 1.00 0.00 C ATOM 960 C ILE A 91 22.422 -0.488 4.344 1.00 0.00 C ATOM 961 O ILE A 91 22.819 -1.473 4.966 1.00 0.00 O ATOM 962 CB ILE A 91 23.049 -0.799 1.952 1.00 0.00 C ATOM 963 CG1 ILE A 91 23.797 -0.173 0.773 1.00 0.00 C ATOM 964 CG2 ILE A 91 21.562 -0.906 1.611 1.00 0.00 C ATOM 965 CD1 ILE A 91 23.850 -1.168 -0.388 1.00 0.00 C ATOM 0 H ILE A 91 25.024 -0.698 3.959 1.00 0.00 H new ATOM 0 HA ILE A 91 22.876 1.090 2.970 1.00 0.00 H new ATOM 0 HB ILE A 91 23.445 -1.794 2.154 1.00 0.00 H new ATOM 0 HG12 ILE A 91 23.298 0.743 0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 91 24.807 0.103 1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 91 21.435 -1.535 0.730 1.00 0.00 H new ATOM 0 HG22 ILE A 91 21.027 -1.347 2.452 1.00 0.00 H new ATOM 0 HG23 ILE A 91 21.163 0.088 1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 91 24.383 -0.720 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 91 24.369 -2.072 -0.069 1.00 0.00 H new ATOM 0 HD13 ILE A 91 22.836 -1.422 -0.696 1.00 0.00 H new ATOM 977 N TRP A 92 21.281 0.132 4.624 1.00 0.00 N ATOM 978 CA TRP A 92 20.415 -0.327 5.706 1.00 0.00 C ATOM 979 C TRP A 92 19.498 -1.449 5.219 1.00 0.00 C ATOM 980 O TRP A 92 18.753 -1.282 4.254 1.00 0.00 O ATOM 981 CB TRP A 92 19.569 0.846 6.230 1.00 0.00 C ATOM 982 CG TRP A 92 18.475 0.329 7.116 1.00 0.00 C ATOM 983 CD1 TRP A 92 18.624 -0.640 8.050 1.00 0.00 C ATOM 984 CD2 TRP A 92 17.073 0.727 7.160 1.00 0.00 C ATOM 985 NE1 TRP A 92 17.402 -0.867 8.657 1.00 0.00 N ATOM 986 CE2 TRP A 92 16.417 -0.048 8.146 1.00 0.00 C ATOM 987 CE3 TRP A 92 16.316 1.673 6.446 1.00 0.00 C ATOM 988 CZ2 TRP A 92 15.056 0.111 8.414 1.00 0.00 C ATOM 989 CZ3 TRP A 92 14.946 1.836 6.714 1.00 0.00 C ATOM 990 CH2 TRP A 92 14.318 1.056 7.695 1.00 0.00 C ATOM 0 H TRP A 92 20.935 0.949 4.121 1.00 0.00 H new ATOM 0 HA TRP A 92 21.039 -0.712 6.512 1.00 0.00 H new ATOM 0 HB2 TRP A 92 20.199 1.542 6.784 1.00 0.00 H new ATOM 0 HB3 TRP A 92 19.141 1.399 5.394 1.00 0.00 H new ATOM 0 HD1 TRP A 92 19.546 -1.152 8.283 1.00 0.00 H new ATOM 0 HE1 TRP A 92 17.248 -1.556 9.393 1.00 0.00 H new ATOM 0 HE3 TRP A 92 16.790 2.278 5.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 14.577 -0.492 9.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 14.374 2.566 6.161 1.00 0.00 H new ATOM 0 HH2 TRP A 92 13.265 1.185 7.895 1.00 0.00 H new ATOM 1001 N CYS A 93 19.546 -2.588 5.913 1.00 0.00 N ATOM 1002 CA CYS A 93 18.701 -3.733 5.570 1.00 0.00 C ATOM 1003 C CYS A 93 17.519 -3.800 6.527 1.00 0.00 C ATOM 1004 O CYS A 93 17.675 -3.615 7.733 1.00 0.00 O ATOM 1005 CB CYS A 93 19.498 -5.034 5.667 1.00 0.00 C ATOM 1006 SG CYS A 93 18.368 -6.448 5.570 1.00 0.00 S ATOM 0 H CYS A 93 20.159 -2.742 6.713 1.00 0.00 H new ATOM 0 HA CYS A 93 18.345 -3.608 4.547 1.00 0.00 H new ATOM 0 HB2 CYS A 93 20.230 -5.085 4.861 1.00 0.00 H new ATOM 0 HB3 CYS A 93 20.053 -5.063 6.604 1.00 0.00 H new ATOM 1011 N THR A 94 16.335 -4.068 5.986 1.00 0.00 N ATOM 1012 CA THR A 94 15.128 -4.161 6.807 1.00 0.00 C ATOM 1013 C THR A 94 14.821 -5.619 7.140 1.00 0.00 C ATOM 1014 O THR A 94 13.979 -5.907 7.989 1.00 0.00 O ATOM 1015 CB THR A 94 13.944 -3.549 6.056 1.00 0.00 C ATOM 1016 OG1 THR A 94 13.384 -4.522 5.187 1.00 0.00 O ATOM 1017 CG2 THR A 94 14.423 -2.351 5.232 1.00 0.00 C ATOM 0 H THR A 94 16.183 -4.224 4.989 1.00 0.00 H new ATOM 0 HA THR A 94 15.295 -3.614 7.735 1.00 0.00 H new ATOM 0 HB THR A 94 13.192 -3.220 6.773 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.624 -4.132 4.706 1.00 0.00 H new ATOM 0 HG21 THR A 94 13.578 -1.916 4.698 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.857 -1.603 5.896 1.00 0.00 H new ATOM 0 HG23 THR A 94 15.175 -2.680 4.515 1.00 0.00 H new ATOM 1025 N ALA A 95 15.505 -6.536 6.457 1.00 0.00 N ATOM 1026 CA ALA A 95 15.293 -7.963 6.681 1.00 0.00 C ATOM 1027 C ALA A 95 16.128 -8.452 7.860 1.00 0.00 C ATOM 1028 O ALA A 95 15.718 -9.358 8.585 1.00 0.00 O ATOM 1029 CB ALA A 95 15.676 -8.751 5.426 1.00 0.00 C ATOM 0 H ALA A 95 16.206 -6.317 5.749 1.00 0.00 H new ATOM 0 HA ALA A 95 14.238 -8.122 6.905 1.00 0.00 H new ATOM 0 HB1 ALA A 95 15.515 -9.815 5.601 1.00 0.00 H new ATOM 0 HB2 ALA A 95 15.060 -8.424 4.589 1.00 0.00 H new ATOM 0 HB3 ALA A 95 16.726 -8.576 5.193 1.00 0.00 H new ATOM 1035 N CYS A 96 17.300 -7.844 8.049 1.00 0.00 N ATOM 1036 CA CYS A 96 18.189 -8.218 9.150 1.00 0.00 C ATOM 1037 C CYS A 96 18.045 -7.234 10.307 1.00 0.00 C ATOM 1038 O CYS A 96 18.234 -7.599 11.467 1.00 0.00 O ATOM 1039 CB CYS A 96 19.642 -8.229 8.665 1.00 0.00 C ATOM 1040 SG CYS A 96 19.827 -9.434 7.328 1.00 0.00 S ATOM 0 H CYS A 96 17.655 -7.093 7.457 1.00 0.00 H new ATOM 0 HA CYS A 96 17.914 -9.214 9.496 1.00 0.00 H new ATOM 0 HB2 CYS A 96 19.927 -7.237 8.316 1.00 0.00 H new ATOM 0 HB3 CYS A 96 20.309 -8.480 9.489 1.00 0.00 H new ATOM 1045 N GLN A 97 17.721 -5.983 9.977 1.00 0.00 N ATOM 1046 CA GLN A 97 17.557 -4.934 10.984 1.00 0.00 C ATOM 1047 C GLN A 97 18.921 -4.439 11.460 1.00 0.00 C ATOM 1048 O GLN A 97 19.058 -3.957 12.584 1.00 0.00 O ATOM 1049 CB GLN A 97 16.749 -5.462 12.182 1.00 0.00 C ATOM 1050 CG GLN A 97 16.077 -4.300 12.920 1.00 0.00 C ATOM 1051 CD GLN A 97 14.948 -3.731 12.069 1.00 0.00 C ATOM 1052 OE1 GLN A 97 14.194 -4.484 11.455 1.00 0.00 O ATOM 1053 NE2 GLN A 97 14.783 -2.439 11.996 1.00 0.00 N ATOM 0 H GLN A 97 17.567 -5.671 9.018 1.00 0.00 H new ATOM 0 HA GLN A 97 17.016 -4.104 10.530 1.00 0.00 H new ATOM 0 HB2 GLN A 97 15.994 -6.169 11.838 1.00 0.00 H new ATOM 0 HB3 GLN A 97 17.406 -6.004 12.863 1.00 0.00 H new ATOM 0 HG2 GLN A 97 15.685 -4.643 13.877 1.00 0.00 H new ATOM 0 HG3 GLN A 97 16.809 -3.522 13.136 1.00 0.00 H new ATOM 0 HE21 GLN A 97 15.409 -1.815 12.506 1.00 0.00 H new ATOM 0 HE22 GLN A 97 14.028 -2.052 11.429 1.00 0.00 H new ATOM 1062 N GLN A 98 19.929 -4.566 10.598 1.00 0.00 N ATOM 1063 CA GLN A 98 21.285 -4.134 10.938 1.00 0.00 C ATOM 1064 C GLN A 98 21.949 -3.459 9.741 1.00 0.00 C ATOM 1065 O GLN A 98 21.566 -3.688 8.594 1.00 0.00 O ATOM 1066 CB GLN A 98 22.125 -5.342 11.375 1.00 0.00 C ATOM 1067 CG GLN A 98 21.601 -5.893 12.706 1.00 0.00 C ATOM 1068 CD GLN A 98 21.815 -4.873 13.821 1.00 0.00 C ATOM 1069 OE1 GLN A 98 22.908 -4.324 13.957 1.00 0.00 O ATOM 1070 NE2 GLN A 98 20.833 -4.585 14.631 1.00 0.00 N ATOM 0 H GLN A 98 19.834 -4.963 9.663 1.00 0.00 H new ATOM 0 HA GLN A 98 21.223 -3.418 11.757 1.00 0.00 H new ATOM 0 HB2 GLN A 98 22.086 -6.118 10.610 1.00 0.00 H new ATOM 0 HB3 GLN A 98 23.170 -5.050 11.479 1.00 0.00 H new ATOM 0 HG2 GLN A 98 20.540 -6.129 12.618 1.00 0.00 H new ATOM 0 HG3 GLN A 98 22.115 -6.823 12.950 1.00 0.00 H new ATOM 0 HE21 GLN A 98 19.928 -5.041 14.517 1.00 0.00 H new ATOM 0 HE22 GLN A 98 20.971 -3.904 15.378 1.00 0.00 H new ATOM 1079 N THR A 99 22.948 -2.627 10.020 1.00 0.00 N ATOM 1080 CA THR A 99 23.664 -1.924 8.963 1.00 0.00 C ATOM 1081 C THR A 99 24.713 -2.833 8.336 1.00 0.00 C ATOM 1082 O THR A 99 25.549 -3.409 9.035 1.00 0.00 O ATOM 1083 CB THR A 99 24.345 -0.679 9.537 1.00 0.00 C ATOM 1084 OG1 THR A 99 23.371 0.151 10.156 1.00 0.00 O ATOM 1085 CG2 THR A 99 25.033 0.091 8.409 1.00 0.00 C ATOM 0 H THR A 99 23.278 -2.424 10.964 1.00 0.00 H new ATOM 0 HA THR A 99 22.948 -1.628 8.196 1.00 0.00 H new ATOM 0 HB THR A 99 25.088 -0.978 10.276 1.00 0.00 H new ATOM 0 HG1 THR A 99 23.807 0.947 10.525 1.00 0.00 H new ATOM 0 HG21 THR A 99 25.518 0.978 8.817 1.00 0.00 H new ATOM 0 HG22 THR A 99 25.780 -0.546 7.936 1.00 0.00 H new ATOM 0 HG23 THR A 99 24.292 0.391 7.669 1.00 0.00 H new ATOM 1093 N LYS A 100 24.665 -2.960 7.010 1.00 0.00 N ATOM 1094 CA LYS A 100 25.619 -3.802 6.278 1.00 0.00 C ATOM 1095 C LYS A 100 26.433 -2.950 5.310 1.00 0.00 C ATOM 1096 O LYS A 100 25.897 -2.088 4.615 1.00 0.00 O ATOM 1097 CB LYS A 100 24.859 -4.908 5.504 1.00 0.00 C ATOM 1098 CG LYS A 100 24.961 -6.258 6.228 1.00 0.00 C ATOM 1099 CD LYS A 100 24.189 -6.203 7.543 1.00 0.00 C ATOM 1100 CE LYS A 100 24.343 -7.536 8.271 1.00 0.00 C ATOM 1101 NZ LYS A 100 23.673 -8.608 7.481 1.00 0.00 N1+ ATOM 0 H LYS A 100 23.978 -2.492 6.419 1.00 0.00 H new ATOM 0 HA LYS A 100 26.298 -4.271 6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 100 23.811 -4.627 5.397 1.00 0.00 H new ATOM 0 HB3 LYS A 100 25.269 -4.999 4.498 1.00 0.00 H new ATOM 0 HG2 LYS A 100 24.562 -7.051 5.595 1.00 0.00 H new ATOM 0 HG3 LYS A 100 26.006 -6.499 6.420 1.00 0.00 H new ATOM 0 HD2 LYS A 100 24.564 -5.390 8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 100 23.135 -5.999 7.352 1.00 0.00 H new ATOM 0 HE2 LYS A 100 25.399 -7.772 8.403 1.00 0.00 H new ATOM 0 HE3 LYS A 100 23.903 -7.473 9.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 23.068 -9.175 8.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 23.090 -8.177 6.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 24.393 -9.221 7.047 1.00 0.00 H new ATOM 1115 N GLY A 101 27.734 -3.210 5.274 1.00 0.00 N ATOM 1116 CA GLY A 101 28.628 -2.475 4.394 1.00 0.00 C ATOM 1117 C GLY A 101 28.281 -2.731 2.935 1.00 0.00 C ATOM 1118 O GLY A 101 27.498 -3.627 2.619 1.00 0.00 O ATOM 0 H GLY A 101 28.191 -3.923 5.843 1.00 0.00 H new ATOM 0 HA2 GLY A 101 28.559 -1.408 4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 101 29.659 -2.772 4.585 1.00 0.00 H new ATOM 1122 N ILE A 102 28.873 -1.940 2.051 1.00 0.00 N ATOM 1123 CA ILE A 102 28.631 -2.088 0.623 1.00 0.00 C ATOM 1124 C ILE A 102 29.216 -3.397 0.102 1.00 0.00 C ATOM 1125 O ILE A 102 28.679 -4.004 -0.824 1.00 0.00 O ATOM 1126 CB ILE A 102 29.242 -0.912 -0.135 1.00 0.00 C ATOM 1127 CG1 ILE A 102 28.861 -1.013 -1.614 1.00 0.00 C ATOM 1128 CG2 ILE A 102 30.764 -0.939 0.009 1.00 0.00 C ATOM 1129 CD1 ILE A 102 29.206 0.299 -2.318 1.00 0.00 C ATOM 0 H ILE A 102 29.522 -1.192 2.296 1.00 0.00 H new ATOM 0 HA ILE A 102 27.553 -2.104 0.461 1.00 0.00 H new ATOM 0 HB ILE A 102 28.863 0.023 0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 102 29.394 -1.841 -2.082 1.00 0.00 H new ATOM 0 HG13 ILE A 102 27.796 -1.222 -1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 102 31.196 -0.098 -0.534 1.00 0.00 H new ATOM 0 HG22 ILE A 102 31.031 -0.866 1.063 1.00 0.00 H new ATOM 0 HG23 ILE A 102 31.152 -1.872 -0.400 1.00 0.00 H new ATOM 0 HD11 ILE A 102 28.935 0.229 -3.372 1.00 0.00 H new ATOM 0 HD12 ILE A 102 28.653 1.117 -1.855 1.00 0.00 H new ATOM 0 HD13 ILE A 102 30.276 0.489 -2.230 1.00 0.00 H new ATOM 1141 N ASN A 103 30.322 -3.827 0.701 1.00 0.00 N ATOM 1142 CA ASN A 103 30.975 -5.064 0.286 1.00 0.00 C ATOM 1143 C ASN A 103 30.058 -6.264 0.509 1.00 0.00 C ATOM 1144 O ASN A 103 29.985 -7.163 -0.328 1.00 0.00 O ATOM 1145 CB ASN A 103 32.268 -5.258 1.078 1.00 0.00 C ATOM 1146 CG ASN A 103 33.314 -4.244 0.630 1.00 0.00 C ATOM 1147 OD1 ASN A 103 33.488 -4.016 -0.643 1.00 0.00 O flip ATOM 1148 ND2 ASN A 103 33.995 -3.643 1.462 1.00 0.00 N flip ATOM 0 H ASN A 103 30.783 -3.341 1.470 1.00 0.00 H new ATOM 0 HA ASN A 103 31.202 -4.991 -0.778 1.00 0.00 H new ATOM 0 HB2 ASN A 103 32.071 -5.143 2.144 1.00 0.00 H new ATOM 0 HB3 ASN A 103 32.645 -6.270 0.931 1.00 0.00 H new ATOM 0 HD21 ASN A 103 33.859 -3.821 2.457 1.00 0.00 H new ATOM 0 HD22 ASN A 103 34.695 -2.967 1.156 1.00 0.00 H new ATOM 1155 N GLU A 104 29.361 -6.271 1.640 1.00 0.00 N ATOM 1156 CA GLU A 104 28.452 -7.367 1.963 1.00 0.00 C ATOM 1157 C GLU A 104 27.130 -7.203 1.223 1.00 0.00 C ATOM 1158 O GLU A 104 26.162 -7.911 1.501 1.00 0.00 O ATOM 1159 CB GLU A 104 28.199 -7.406 3.471 1.00 0.00 C ATOM 1160 CG GLU A 104 29.486 -7.814 4.192 1.00 0.00 C ATOM 1161 CD GLU A 104 29.274 -7.783 5.701 1.00 0.00 C ATOM 1162 OE1 GLU A 104 28.178 -7.444 6.118 1.00 0.00 O ATOM 1163 OE2 GLU A 104 30.208 -8.101 6.417 1.00 0.00 O1- ATOM 0 H GLU A 104 29.407 -5.535 2.345 1.00 0.00 H new ATOM 0 HA GLU A 104 28.913 -8.303 1.649 1.00 0.00 H new ATOM 0 HB2 GLU A 104 27.868 -6.428 3.821 1.00 0.00 H new ATOM 0 HB3 GLU A 104 27.402 -8.113 3.699 1.00 0.00 H new ATOM 0 HG2 GLU A 104 29.785 -8.814 3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 104 30.296 -7.138 3.917 1.00 0.00 H new ATOM 1170 N PHE A 105 27.096 -6.262 0.278 1.00 0.00 N ATOM 1171 CA PHE A 105 25.887 -5.999 -0.508 1.00 0.00 C ATOM 1172 C PHE A 105 26.166 -6.170 -2.002 1.00 0.00 C ATOM 1173 O PHE A 105 27.219 -5.774 -2.501 1.00 0.00 O ATOM 1174 CB PHE A 105 25.381 -4.567 -0.207 1.00 0.00 C ATOM 1175 CG PHE A 105 24.037 -4.631 0.490 1.00 0.00 C ATOM 1176 CD1 PHE A 105 22.909 -5.026 -0.233 1.00 0.00 C ATOM 1177 CD2 PHE A 105 23.922 -4.310 1.848 1.00 0.00 C ATOM 1178 CE1 PHE A 105 21.667 -5.099 0.398 1.00 0.00 C ATOM 1179 CE2 PHE A 105 22.677 -4.381 2.478 1.00 0.00 C ATOM 1180 CZ PHE A 105 21.548 -4.776 1.753 1.00 0.00 C ATOM 0 H PHE A 105 27.890 -5.669 0.038 1.00 0.00 H new ATOM 0 HA PHE A 105 25.116 -6.717 -0.229 1.00 0.00 H new ATOM 0 HB2 PHE A 105 26.101 -4.042 0.420 1.00 0.00 H new ATOM 0 HB3 PHE A 105 25.293 -4.001 -1.134 1.00 0.00 H new ATOM 0 HD1 PHE A 105 22.998 -5.275 -1.280 1.00 0.00 H new ATOM 0 HD2 PHE A 105 24.795 -4.008 2.408 1.00 0.00 H new ATOM 0 HE1 PHE A 105 20.796 -5.406 -0.161 1.00 0.00 H new ATOM 0 HE2 PHE A 105 22.586 -4.131 3.525 1.00 0.00 H new ATOM 0 HZ PHE A 105 20.585 -4.831 2.239 1.00 0.00 H new ATOM 1190 N SER A 106 25.204 -6.762 -2.706 1.00 0.00 N ATOM 1191 CA SER A 106 25.334 -6.981 -4.141 1.00 0.00 C ATOM 1192 C SER A 106 24.993 -5.706 -4.904 1.00 0.00 C ATOM 1193 O SER A 106 24.407 -4.776 -4.350 1.00 0.00 O ATOM 1194 CB SER A 106 24.400 -8.110 -4.584 1.00 0.00 C ATOM 1195 OG SER A 106 24.936 -9.356 -4.156 1.00 0.00 O ATOM 0 H SER A 106 24.328 -7.097 -2.305 1.00 0.00 H new ATOM 0 HA SER A 106 26.365 -7.259 -4.359 1.00 0.00 H new ATOM 0 HB2 SER A 106 23.406 -7.963 -4.160 1.00 0.00 H new ATOM 0 HB3 SER A 106 24.289 -8.102 -5.668 1.00 0.00 H new ATOM 0 HG SER A 106 24.332 -10.081 -4.422 1.00 0.00 H new ATOM 1201 N LYS A 107 25.353 -5.679 -6.180 1.00 0.00 N ATOM 1202 CA LYS A 107 25.068 -4.525 -7.022 1.00 0.00 C ATOM 1203 C LYS A 107 23.590 -4.484 -7.408 1.00 0.00 C ATOM 1204 O LYS A 107 22.959 -3.428 -7.383 1.00 0.00 O ATOM 1205 CB LYS A 107 25.938 -4.574 -8.276 1.00 0.00 C ATOM 1206 CG LYS A 107 25.706 -3.311 -9.106 1.00 0.00 C ATOM 1207 CD LYS A 107 26.769 -3.214 -10.204 1.00 0.00 C ATOM 1208 CE LYS A 107 26.596 -4.360 -11.203 1.00 0.00 C ATOM 1209 NZ LYS A 107 27.352 -4.046 -12.448 1.00 0.00 N1+ ATOM 0 H LYS A 107 25.841 -6.439 -6.653 1.00 0.00 H new ATOM 0 HA LYS A 107 25.297 -3.620 -6.459 1.00 0.00 H new ATOM 0 HB2 LYS A 107 26.989 -4.652 -7.999 1.00 0.00 H new ATOM 0 HB3 LYS A 107 25.696 -5.459 -8.865 1.00 0.00 H new ATOM 0 HG2 LYS A 107 24.711 -3.334 -9.550 1.00 0.00 H new ATOM 0 HG3 LYS A 107 25.749 -2.430 -8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 107 26.686 -2.257 -10.718 1.00 0.00 H new ATOM 0 HD3 LYS A 107 27.765 -3.253 -9.762 1.00 0.00 H new ATOM 0 HE2 LYS A 107 26.957 -5.293 -10.770 1.00 0.00 H new ATOM 0 HE3 LYS A 107 25.540 -4.502 -11.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 27.237 -4.823 -13.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 26.987 -3.165 -12.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 28.361 -3.931 -12.222 1.00 0.00 H new ATOM 1223 N ALA A 108 23.049 -5.641 -7.774 1.00 0.00 N ATOM 1224 CA ALA A 108 21.648 -5.733 -8.171 1.00 0.00 C ATOM 1225 C ALA A 108 20.727 -5.401 -6.999 1.00 0.00 C ATOM 1226 O ALA A 108 19.615 -4.917 -7.194 1.00 0.00 O ATOM 1227 CB ALA A 108 21.341 -7.139 -8.689 1.00 0.00 C ATOM 0 H ALA A 108 23.557 -6.525 -7.804 1.00 0.00 H new ATOM 0 HA ALA A 108 21.471 -5.009 -8.966 1.00 0.00 H new ATOM 0 HB1 ALA A 108 20.293 -7.198 -8.983 1.00 0.00 H new ATOM 0 HB2 ALA A 108 21.972 -7.355 -9.551 1.00 0.00 H new ATOM 0 HB3 ALA A 108 21.539 -7.868 -7.903 1.00 0.00 H new ATOM 1233 N GLN A 109 21.193 -5.675 -5.786 1.00 0.00 N ATOM 1234 CA GLN A 109 20.401 -5.407 -4.594 1.00 0.00 C ATOM 1235 C GLN A 109 20.266 -3.907 -4.360 1.00 0.00 C ATOM 1236 O GLN A 109 19.166 -3.371 -4.364 1.00 0.00 O ATOM 1237 CB GLN A 109 21.065 -6.057 -3.377 1.00 0.00 C ATOM 1238 CG GLN A 109 20.855 -7.573 -3.421 1.00 0.00 C ATOM 1239 CD GLN A 109 19.403 -7.908 -3.093 1.00 0.00 C ATOM 1240 OE1 GLN A 109 18.578 -6.952 -2.765 1.00 0.00 O flip ATOM 1241 NE2 GLN A 109 19.011 -9.075 -3.132 1.00 0.00 N flip ATOM 0 H GLN A 109 22.111 -6.081 -5.603 1.00 0.00 H new ATOM 0 HA GLN A 109 19.406 -5.827 -4.739 1.00 0.00 H new ATOM 0 HB2 GLN A 109 22.131 -5.828 -3.367 1.00 0.00 H new ATOM 0 HB3 GLN A 109 20.643 -5.648 -2.459 1.00 0.00 H new ATOM 0 HG2 GLN A 109 21.111 -7.955 -4.409 1.00 0.00 H new ATOM 0 HG3 GLN A 109 21.520 -8.061 -2.708 1.00 0.00 H new ATOM 0 HE21 GLN A 109 19.657 -9.822 -3.389 1.00 0.00 H new ATOM 0 HE22 GLN A 109 18.041 -9.295 -2.908 1.00 0.00 H new ATOM 1250 N ARG A 110 21.389 -3.232 -4.160 1.00 0.00 N ATOM 1251 CA ARG A 110 21.368 -1.794 -3.921 1.00 0.00 C ATOM 1252 C ARG A 110 20.667 -1.063 -5.064 1.00 0.00 C ATOM 1253 O ARG A 110 20.462 0.149 -5.006 1.00 0.00 O ATOM 1254 CB ARG A 110 22.801 -1.275 -3.774 1.00 0.00 C ATOM 1255 CG ARG A 110 23.569 -1.504 -5.078 1.00 0.00 C ATOM 1256 CD ARG A 110 25.002 -1.000 -4.920 1.00 0.00 C ATOM 1257 NE ARG A 110 25.725 -1.156 -6.176 1.00 0.00 N ATOM 1258 CZ ARG A 110 26.967 -0.704 -6.314 1.00 0.00 C ATOM 1259 NH1 ARG A 110 27.556 -0.112 -5.313 1.00 0.00 N ATOM 1260 NH2 ARG A 110 27.593 -0.850 -7.448 1.00 0.00 N1+ ATOM 0 H ARG A 110 22.319 -3.651 -4.158 1.00 0.00 H new ATOM 0 HA ARG A 110 20.815 -1.604 -3.001 1.00 0.00 H new ATOM 0 HB2 ARG A 110 22.790 -0.213 -3.529 1.00 0.00 H new ATOM 0 HB3 ARG A 110 23.301 -1.787 -2.952 1.00 0.00 H new ATOM 0 HG2 ARG A 110 23.571 -2.564 -5.330 1.00 0.00 H new ATOM 0 HG3 ARG A 110 23.077 -0.982 -5.899 1.00 0.00 H new ATOM 0 HD2 ARG A 110 24.997 0.048 -4.621 1.00 0.00 H new ATOM 0 HD3 ARG A 110 25.506 -1.555 -4.129 1.00 0.00 H new ATOM 0 HE ARG A 110 25.270 -1.620 -6.962 1.00 0.00 H new ATOM 0 HH11 ARG A 110 27.064 0.003 -4.427 1.00 0.00 H new ATOM 0 HH12 ARG A 110 28.509 0.236 -5.416 1.00 0.00 H new ATOM 0 HH21 ARG A 110 27.130 -1.312 -8.231 1.00 0.00 H new ATOM 0 HH22 ARG A 110 28.546 -0.503 -7.553 1.00 0.00 H new ATOM 1274 N HIS A 111 20.308 -1.809 -6.107 1.00 0.00 N ATOM 1275 CA HIS A 111 19.635 -1.231 -7.269 1.00 0.00 C ATOM 1276 C HIS A 111 18.119 -1.363 -7.139 1.00 0.00 C ATOM 1277 O HIS A 111 17.394 -1.266 -8.131 1.00 0.00 O ATOM 1278 CB HIS A 111 20.102 -1.941 -8.540 1.00 0.00 C ATOM 1279 CG HIS A 111 19.467 -1.290 -9.735 1.00 0.00 C ATOM 1280 ND1 HIS A 111 18.408 -1.660 -10.526 1.00 0.00 N flip ATOM 1281 CD2 HIS A 111 19.917 -0.083 -10.244 1.00 0.00 C flip ATOM 1282 CE1 HIS A 111 18.202 -0.698 -11.510 1.00 0.00 C flip ATOM 1283 NE2 HIS A 111 19.139 0.229 -11.294 1.00 0.00 N flip ATOM 0 H HIS A 111 20.472 -2.814 -6.172 1.00 0.00 H new ATOM 0 HA HIS A 111 19.889 -0.172 -7.323 1.00 0.00 H new ATOM 0 HB2 HIS A 111 21.188 -1.892 -8.619 1.00 0.00 H new ATOM 0 HB3 HIS A 111 19.832 -2.996 -8.501 1.00 0.00 H new ATOM 0 HD2 HIS A 111 20.743 0.501 -9.866 1.00 0.00 H new ATOM 0 HE1 HIS A 111 17.447 -0.700 -12.282 1.00 0.00 H new ATOM 0 HE2 HIS A 111 19.250 1.072 -11.858 1.00 0.00 H new ATOM 1291 N VAL A 112 17.644 -1.594 -5.914 1.00 0.00 N ATOM 1292 CA VAL A 112 16.208 -1.748 -5.659 1.00 0.00 C ATOM 1293 C VAL A 112 15.778 -0.862 -4.492 1.00 0.00 C ATOM 1294 O VAL A 112 16.612 -0.371 -3.732 1.00 0.00 O ATOM 1295 CB VAL A 112 15.889 -3.219 -5.349 1.00 0.00 C ATOM 1296 CG1 VAL A 112 16.607 -4.106 -6.373 1.00 0.00 C ATOM 1297 CG2 VAL A 112 16.343 -3.587 -3.912 1.00 0.00 C ATOM 0 H VAL A 112 18.230 -1.679 -5.083 1.00 0.00 H new ATOM 0 HA VAL A 112 15.658 -1.442 -6.549 1.00 0.00 H new ATOM 0 HB VAL A 112 14.812 -3.376 -5.412 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.389 -5.153 -6.164 1.00 0.00 H new ATOM 0 HG12 VAL A 112 16.261 -3.857 -7.376 1.00 0.00 H new ATOM 0 HG13 VAL A 112 17.682 -3.940 -6.308 1.00 0.00 H new ATOM 0 HG21 VAL A 112 16.108 -4.633 -3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 112 17.418 -3.433 -3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 112 15.822 -2.955 -3.193 1.00 0.00 H new ATOM 1307 N LEU A 113 14.474 -0.659 -4.363 1.00 0.00 N ATOM 1308 CA LEU A 113 13.942 0.175 -3.293 1.00 0.00 C ATOM 1309 C LEU A 113 14.263 -0.415 -1.924 1.00 0.00 C ATOM 1310 O LEU A 113 14.611 0.316 -0.998 1.00 0.00 O ATOM 1311 CB LEU A 113 12.426 0.296 -3.438 1.00 0.00 C ATOM 1312 CG LEU A 113 12.078 0.765 -4.851 1.00 0.00 C ATOM 1313 CD1 LEU A 113 10.556 0.829 -4.991 1.00 0.00 C ATOM 1314 CD2 LEU A 113 12.685 2.156 -5.103 1.00 0.00 C ATOM 0 H LEU A 113 13.768 -1.058 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 113 14.407 1.158 -3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.954 -0.666 -3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 113 12.036 1.001 -2.704 1.00 0.00 H new ATOM 0 HG LEU A 113 12.485 0.066 -5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 113 10.297 1.163 -5.996 1.00 0.00 H new ATOM 0 HD12 LEU A 113 10.133 -0.160 -4.817 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.153 1.530 -4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.434 2.485 -6.111 1.00 0.00 H new ATOM 0 HD22 LEU A 113 12.283 2.865 -4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 113 13.769 2.105 -4.997 1.00 0.00 H new ATOM 1326 N ASP A 114 14.139 -1.738 -1.797 1.00 0.00 N ATOM 1327 CA ASP A 114 14.411 -2.413 -0.521 1.00 0.00 C ATOM 1328 C ASP A 114 15.636 -3.331 -0.651 1.00 0.00 C ATOM 1329 O ASP A 114 15.505 -4.467 -1.107 1.00 0.00 O ATOM 1330 CB ASP A 114 13.201 -3.251 -0.096 1.00 0.00 C ATOM 1331 CG ASP A 114 13.330 -3.624 1.377 1.00 0.00 C ATOM 1332 OD1 ASP A 114 14.357 -4.172 1.738 1.00 0.00 O1- ATOM 1333 OD2 ASP A 114 12.401 -3.353 2.122 1.00 0.00 O ATOM 0 H ASP A 114 13.855 -2.361 -2.553 1.00 0.00 H new ATOM 0 HA ASP A 114 14.609 -1.650 0.232 1.00 0.00 H new ATOM 0 HB2 ASP A 114 12.281 -2.690 -0.260 1.00 0.00 H new ATOM 0 HB3 ASP A 114 13.138 -4.152 -0.706 1.00 0.00 H new ATOM 1338 N PRO A 115 16.815 -2.875 -0.280 1.00 0.00 N ATOM 1339 CA PRO A 115 18.048 -3.704 -0.403 1.00 0.00 C ATOM 1340 C PRO A 115 18.136 -4.778 0.679 1.00 0.00 C ATOM 1341 O PRO A 115 17.831 -4.529 1.846 1.00 0.00 O ATOM 1342 CB PRO A 115 19.183 -2.677 -0.287 1.00 0.00 C ATOM 1343 CG PRO A 115 18.627 -1.562 0.542 1.00 0.00 C ATOM 1344 CD PRO A 115 17.110 -1.546 0.302 1.00 0.00 C ATOM 0 HA PRO A 115 18.080 -4.266 -1.336 1.00 0.00 H new ATOM 0 HB2 PRO A 115 20.063 -3.115 0.184 1.00 0.00 H new ATOM 0 HB3 PRO A 115 19.492 -2.320 -1.270 1.00 0.00 H new ATOM 0 HG2 PRO A 115 18.850 -1.717 1.598 1.00 0.00 H new ATOM 0 HG3 PRO A 115 19.074 -0.609 0.258 1.00 0.00 H new ATOM 0 HD2 PRO A 115 16.562 -1.389 1.231 1.00 0.00 H new ATOM 0 HD3 PRO A 115 16.824 -0.743 -0.377 1.00 0.00 H new ATOM 1352 N ARG A 116 18.554 -5.977 0.276 1.00 0.00 N ATOM 1353 CA ARG A 116 18.680 -7.101 1.207 1.00 0.00 C ATOM 1354 C ARG A 116 20.078 -7.712 1.132 1.00 0.00 C ATOM 1355 O ARG A 116 20.563 -8.043 0.050 1.00 0.00 O ATOM 1356 CB ARG A 116 17.644 -8.170 0.858 1.00 0.00 C ATOM 1357 CG ARG A 116 16.240 -7.571 0.957 1.00 0.00 C ATOM 1358 CD ARG A 116 15.201 -8.632 0.600 1.00 0.00 C ATOM 1359 NE ARG A 116 13.858 -8.065 0.671 1.00 0.00 N ATOM 1360 CZ ARG A 116 12.798 -8.766 0.287 1.00 0.00 C ATOM 1361 NH1 ARG A 116 12.947 -9.980 -0.165 1.00 0.00 N ATOM 1362 NH2 ARG A 116 11.605 -8.238 0.361 1.00 0.00 N1+ ATOM 0 H ARG A 116 18.811 -6.196 -0.686 1.00 0.00 H new ATOM 0 HA ARG A 116 18.512 -6.733 2.219 1.00 0.00 H new ATOM 0 HB2 ARG A 116 17.820 -8.547 -0.150 1.00 0.00 H new ATOM 0 HB3 ARG A 116 17.738 -9.018 1.536 1.00 0.00 H new ATOM 0 HG2 ARG A 116 16.063 -7.200 1.966 1.00 0.00 H new ATOM 0 HG3 ARG A 116 16.150 -6.719 0.284 1.00 0.00 H new ATOM 0 HD2 ARG A 116 15.390 -9.014 -0.403 1.00 0.00 H new ATOM 0 HD3 ARG A 116 15.284 -9.477 1.283 1.00 0.00 H new ATOM 0 HE ARG A 116 13.732 -7.115 1.021 1.00 0.00 H new ATOM 0 HH11 ARG A 116 13.878 -10.392 -0.224 1.00 0.00 H new ATOM 0 HH12 ARG A 116 12.132 -10.518 -0.460 1.00 0.00 H new ATOM 0 HH21 ARG A 116 11.489 -7.288 0.714 1.00 0.00 H new ATOM 0 HH22 ARG A 116 10.790 -8.776 0.066 1.00 0.00 H new ATOM 1376 N CYS A 117 20.714 -7.864 2.292 1.00 0.00 N ATOM 1377 CA CYS A 117 22.055 -8.444 2.351 1.00 0.00 C ATOM 1378 C CYS A 117 22.071 -9.829 1.703 1.00 0.00 C ATOM 1379 O CYS A 117 21.075 -10.552 1.727 1.00 0.00 O ATOM 1380 CB CYS A 117 22.525 -8.567 3.815 1.00 0.00 C ATOM 1381 SG CYS A 117 21.768 -7.266 4.813 1.00 0.00 S ATOM 0 H CYS A 117 20.327 -7.596 3.197 1.00 0.00 H new ATOM 0 HA CYS A 117 22.730 -7.784 1.807 1.00 0.00 H new ATOM 0 HB2 CYS A 117 22.255 -9.546 4.212 1.00 0.00 H new ATOM 0 HB3 CYS A 117 23.611 -8.491 3.865 1.00 0.00 H new ATOM 1386 N GLN A 118 23.213 -10.186 1.125 1.00 0.00 N ATOM 1387 CA GLN A 118 23.352 -11.484 0.470 1.00 0.00 C ATOM 1388 C GLN A 118 22.946 -12.608 1.429 1.00 0.00 C ATOM 1389 O GLN A 118 22.818 -13.762 1.022 1.00 0.00 O ATOM 1390 CB GLN A 118 24.808 -11.683 -0.012 1.00 0.00 C ATOM 1391 CG GLN A 118 24.947 -11.216 -1.466 1.00 0.00 C ATOM 1392 CD GLN A 118 24.556 -9.750 -1.571 1.00 0.00 C ATOM 1393 OE1 GLN A 118 25.249 -8.888 -1.035 1.00 0.00 O ATOM 1394 NE2 GLN A 118 23.478 -9.413 -2.223 1.00 0.00 N ATOM 0 H GLN A 118 24.049 -9.602 1.096 1.00 0.00 H new ATOM 0 HA GLN A 118 22.692 -11.514 -0.397 1.00 0.00 H new ATOM 0 HB2 GLN A 118 25.491 -11.122 0.626 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.086 -12.734 0.069 1.00 0.00 H new ATOM 0 HG2 GLN A 118 25.973 -11.354 -1.806 1.00 0.00 H new ATOM 0 HG3 GLN A 118 24.312 -11.819 -2.115 1.00 0.00 H new ATOM 0 HE21 GLN A 118 22.905 -10.131 -2.667 1.00 0.00 H new ATOM 0 HE22 GLN A 118 23.208 -8.432 -2.289 1.00 0.00 H new ATOM 1403 N ILE A 119 22.755 -12.267 2.701 1.00 0.00 N ATOM 1404 CA ILE A 119 22.373 -13.261 3.704 1.00 0.00 C ATOM 1405 C ILE A 119 20.851 -13.430 3.789 1.00 0.00 C ATOM 1406 O ILE A 119 20.348 -14.553 3.802 1.00 0.00 O ATOM 1407 CB ILE A 119 22.909 -12.830 5.066 1.00 0.00 C ATOM 1408 CG1 ILE A 119 24.380 -12.413 4.929 1.00 0.00 C ATOM 1409 CG2 ILE A 119 22.784 -13.990 6.054 1.00 0.00 C ATOM 1410 CD1 ILE A 119 25.188 -13.517 4.236 1.00 0.00 C ATOM 0 H ILE A 119 22.857 -11.318 3.061 1.00 0.00 H new ATOM 0 HA ILE A 119 22.800 -14.219 3.409 1.00 0.00 H new ATOM 0 HB ILE A 119 22.331 -11.983 5.435 1.00 0.00 H new ATOM 0 HG12 ILE A 119 24.450 -11.488 4.356 1.00 0.00 H new ATOM 0 HG13 ILE A 119 24.800 -12.210 5.914 1.00 0.00 H new ATOM 0 HG21 ILE A 119 23.167 -13.682 7.027 1.00 0.00 H new ATOM 0 HG22 ILE A 119 21.736 -14.275 6.150 1.00 0.00 H new ATOM 0 HG23 ILE A 119 23.360 -14.841 5.690 1.00 0.00 H new ATOM 0 HD11 ILE A 119 26.229 -13.205 4.147 1.00 0.00 H new ATOM 0 HD12 ILE A 119 25.133 -14.433 4.825 1.00 0.00 H new ATOM 0 HD13 ILE A 119 24.778 -13.699 3.243 1.00 0.00 H new ATOM 1422 N CYS A 120 20.128 -12.313 3.867 1.00 0.00 N ATOM 1423 CA CYS A 120 18.667 -12.360 3.971 1.00 0.00 C ATOM 1424 C CYS A 120 18.046 -12.931 2.695 1.00 0.00 C ATOM 1425 O CYS A 120 17.005 -13.582 2.744 1.00 0.00 O ATOM 1426 CB CYS A 120 18.108 -10.944 4.249 1.00 0.00 C ATOM 1427 SG CYS A 120 19.276 -9.708 3.647 1.00 0.00 S ATOM 0 H CYS A 120 20.524 -11.373 3.860 1.00 0.00 H new ATOM 0 HA CYS A 120 18.404 -13.016 4.801 1.00 0.00 H new ATOM 0 HB2 CYS A 120 17.144 -10.819 3.757 1.00 0.00 H new ATOM 0 HB3 CYS A 120 17.940 -10.811 5.318 1.00 0.00 H new ATOM 1432 N VAL A 121 18.691 -12.694 1.560 1.00 0.00 N ATOM 1433 CA VAL A 121 18.178 -13.202 0.290 1.00 0.00 C ATOM 1434 C VAL A 121 18.281 -14.726 0.238 1.00 0.00 C ATOM 1435 O VAL A 121 17.388 -15.405 -0.264 1.00 0.00 O ATOM 1436 CB VAL A 121 18.952 -12.597 -0.886 1.00 0.00 C ATOM 1437 CG1 VAL A 121 18.975 -11.068 -0.767 1.00 0.00 C ATOM 1438 CG2 VAL A 121 20.384 -13.126 -0.877 1.00 0.00 C ATOM 0 H VAL A 121 19.558 -12.161 1.490 1.00 0.00 H new ATOM 0 HA VAL A 121 17.130 -12.913 0.213 1.00 0.00 H new ATOM 0 HB VAL A 121 18.461 -12.877 -1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 121 19.527 -10.646 -1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 121 17.954 -10.687 -0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 121 19.460 -10.783 0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 121 20.936 -12.696 -1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 121 20.869 -12.848 0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 121 20.371 -14.212 -0.970 1.00 0.00 H new ATOM 1448 N HIS A 122 19.392 -15.258 0.736 1.00 0.00 N ATOM 1449 CA HIS A 122 19.604 -16.696 0.708 1.00 0.00 C ATOM 1450 C HIS A 122 18.341 -17.424 1.163 1.00 0.00 C ATOM 1451 O HIS A 122 17.837 -18.302 0.464 1.00 0.00 O ATOM 1452 CB HIS A 122 20.769 -17.062 1.628 1.00 0.00 C ATOM 1453 CG HIS A 122 21.160 -18.494 1.398 1.00 0.00 C ATOM 1454 ND1 HIS A 122 20.441 -19.659 1.456 1.00 0.00 N flip ATOM 1455 CD2 HIS A 122 22.452 -18.863 1.056 1.00 0.00 C flip ATOM 1456 CE1 HIS A 122 21.268 -20.737 1.156 1.00 0.00 C flip ATOM 1457 NE2 HIS A 122 22.470 -20.201 0.923 1.00 0.00 N flip ATOM 0 H HIS A 122 20.149 -14.721 1.158 1.00 0.00 H new ATOM 0 HA HIS A 122 19.838 -16.999 -0.312 1.00 0.00 H new ATOM 0 HB2 HIS A 122 21.618 -16.407 1.435 1.00 0.00 H new ATOM 0 HB3 HIS A 122 20.484 -16.915 2.670 1.00 0.00 H new ATOM 0 HD2 HIS A 122 23.291 -18.197 0.921 1.00 0.00 H new ATOM 0 HE1 HIS A 122 20.997 -21.782 1.119 1.00 0.00 H new ATOM 0 HE2 HIS A 122 23.299 -20.741 0.675 1.00 0.00 H new ATOM 1465 N SER A 123 17.827 -17.050 2.333 1.00 0.00 N ATOM 1466 CA SER A 123 16.615 -17.672 2.861 1.00 0.00 C ATOM 1467 C SER A 123 15.375 -16.901 2.415 1.00 0.00 C ATOM 1468 O SER A 123 14.427 -17.485 1.887 1.00 0.00 O ATOM 1469 CB SER A 123 16.675 -17.695 4.389 1.00 0.00 C ATOM 1470 OG SER A 123 16.276 -16.426 4.891 1.00 0.00 O ATOM 0 H SER A 123 18.227 -16.325 2.929 1.00 0.00 H new ATOM 0 HA SER A 123 16.552 -18.690 2.477 1.00 0.00 H new ATOM 0 HB2 SER A 123 16.022 -18.476 4.779 1.00 0.00 H new ATOM 0 HB3 SER A 123 17.686 -17.930 4.722 1.00 0.00 H new ATOM 0 HG SER A 123 16.311 -16.436 5.870 1.00 0.00 H new ATOM 1476 N GLN A 124 15.383 -15.585 2.641 1.00 0.00 N ATOM 1477 CA GLN A 124 14.249 -14.735 2.272 1.00 0.00 C ATOM 1478 C GLN A 124 14.422 -14.188 0.855 1.00 0.00 C ATOM 1479 O GLN A 124 14.126 -13.025 0.587 1.00 0.00 O ATOM 1480 CB GLN A 124 14.115 -13.570 3.264 1.00 0.00 C ATOM 1481 CG GLN A 124 12.702 -12.980 3.188 1.00 0.00 C ATOM 1482 CD GLN A 124 11.704 -13.945 3.819 1.00 0.00 C ATOM 1483 OE1 GLN A 124 12.076 -14.752 4.670 1.00 0.00 O ATOM 1484 NE2 GLN A 124 10.454 -13.911 3.449 1.00 0.00 N ATOM 0 H GLN A 124 16.159 -15.087 3.076 1.00 0.00 H new ATOM 0 HA GLN A 124 13.344 -15.341 2.305 1.00 0.00 H new ATOM 0 HB2 GLN A 124 14.319 -13.918 4.277 1.00 0.00 H new ATOM 0 HB3 GLN A 124 14.853 -12.800 3.036 1.00 0.00 H new ATOM 0 HG2 GLN A 124 12.670 -12.021 3.705 1.00 0.00 H new ATOM 0 HG3 GLN A 124 12.432 -12.792 2.149 1.00 0.00 H new ATOM 0 HE21 GLN A 124 10.149 -13.241 2.743 1.00 0.00 H new ATOM 0 HE22 GLN A 124 9.781 -14.555 3.865 1.00 0.00 H new ATOM 1493 N ARG A 125 14.908 -15.031 -0.051 1.00 0.00 N ATOM 1494 CA ARG A 125 15.113 -14.618 -1.439 1.00 0.00 C ATOM 1495 C ARG A 125 13.937 -13.782 -1.931 1.00 0.00 C ATOM 1496 O ARG A 125 12.784 -14.061 -1.604 1.00 0.00 O ATOM 1497 CB ARG A 125 15.281 -15.856 -2.326 1.00 0.00 C ATOM 1498 CG ARG A 125 14.022 -16.722 -2.241 1.00 0.00 C ATOM 1499 CD ARG A 125 14.191 -17.962 -3.118 1.00 0.00 C ATOM 1500 NE ARG A 125 13.002 -18.802 -3.027 1.00 0.00 N ATOM 1501 CZ ARG A 125 11.935 -18.571 -3.787 1.00 0.00 C ATOM 1502 NH1 ARG A 125 11.936 -17.571 -4.625 1.00 0.00 N ATOM 1503 NH2 ARG A 125 10.886 -19.341 -3.690 1.00 0.00 N1+ ATOM 0 H ARG A 125 15.166 -15.998 0.147 1.00 0.00 H new ATOM 0 HA ARG A 125 16.015 -14.008 -1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 125 15.459 -15.555 -3.358 1.00 0.00 H new ATOM 0 HB3 ARG A 125 16.151 -16.429 -2.007 1.00 0.00 H new ATOM 0 HG2 ARG A 125 13.841 -17.017 -1.208 1.00 0.00 H new ATOM 0 HG3 ARG A 125 13.153 -16.150 -2.566 1.00 0.00 H new ATOM 0 HD2 ARG A 125 14.359 -17.665 -4.153 1.00 0.00 H new ATOM 0 HD3 ARG A 125 15.069 -18.525 -2.801 1.00 0.00 H new ATOM 0 HE ARG A 125 12.988 -19.581 -2.368 1.00 0.00 H new ATOM 0 HH11 ARG A 125 12.755 -16.967 -4.697 1.00 0.00 H new ATOM 0 HH12 ARG A 125 11.118 -17.393 -5.208 1.00 0.00 H new ATOM 0 HH21 ARG A 125 10.884 -20.120 -3.031 1.00 0.00 H new ATOM 0 HH22 ARG A 125 10.068 -19.164 -4.273 1.00 0.00 H new ATOM 1517 N ASN A 126 14.240 -12.755 -2.714 1.00 0.00 N ATOM 1518 CA ASN A 126 13.200 -11.882 -3.241 1.00 0.00 C ATOM 1519 C ASN A 126 12.316 -12.641 -4.223 1.00 0.00 C ATOM 1520 O ASN A 126 12.199 -13.847 -4.075 1.00 0.00 O ATOM 1521 CB ASN A 126 13.837 -10.681 -3.942 1.00 0.00 C ATOM 1522 CG ASN A 126 14.680 -11.153 -5.120 1.00 0.00 C ATOM 1523 OD1 ASN A 126 14.574 -12.305 -5.540 1.00 0.00 O ATOM 1524 ND2 ASN A 126 15.521 -10.326 -5.681 1.00 0.00 N ATOM 1525 OXT ASN A 126 11.767 -12.007 -5.110 1.00 0.00 O ATOM 0 H ASN A 126 15.188 -12.508 -2.996 1.00 0.00 H new ATOM 0 HA ASN A 126 12.584 -11.533 -2.412 1.00 0.00 H new ATOM 0 HB2 ASN A 126 13.061 -9.999 -4.289 1.00 0.00 H new ATOM 0 HB3 ASN A 126 14.458 -10.126 -3.239 1.00 0.00 H new ATOM 0 HD21 ASN A 126 16.091 -10.635 -6.468 1.00 0.00 H new ATOM 0 HD22 ASN A 126 15.608 -9.372 -5.332 1.00 0.00 H new TER 1532 ASN A 126 HETATM 1533 ZN ZN A 300 20.025 8.562 -13.870 1.00 0.00 ZN HETATM 1534 ZN ZN A 301 19.770 -8.247 5.359 1.00 0.00 ZN