USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 459 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 47 ASN : amide:sc= 1.19 K(o=2,f=-3.8!) USER MOD Set 1.2: A 49 THR OG1 : rot 100:sc= 0.764 USER MOD Set 2.1: A 2 THR OG1 : rot -128:sc= 1.76 USER MOD Set 2.2: A 5 GLN : amide:sc= 0.699 K(o=2.5,f=-3.9!) USER MOD Single : A 1 LEU N :NH3+ -111:sc= -0.0356 (180deg=-1.25) USER MOD Single : A 3 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0147) USER MOD Single : A 9 SER OG : rot 103:sc= 1.14 USER MOD Single : A 10 HIS : no HE2:sc= 0.192 K(o=0.19,f=-3.1!) USER MOD Single : A 15 HIS : no HE2:sc= 0.209 K(o=0.21,f=-3.7!) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0283 USER MOD Single : A 22 LYS NZ :NH3+ 174:sc= 0.981 (180deg=0.924) USER MOD Single : A 26 ASN : amide:sc= 0.938 K(o=0.94,f=0) USER MOD Single : A 28 ASN : amide:sc= 0.986 K(o=0.99,f=0) USER MOD Single : A 29 TYR OH : rot -167:sc= 1.22 USER MOD Single : A 33 GLN : amide:sc= 2.49 K(o=2.5,f=-5.9!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 114:sc= 1.63 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot -61:sc= 1.78 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0288 USER MOD Single : A 59 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.2) USER MOD Single : A 60 HIS : no HE2:sc= -1.84 K(o=-1.8,f=-5!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 3:sc= 0.898 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 15.084 9.662 1.491 1.00 0.00 N ATOM 2 CA LEU A 1 13.895 8.886 1.160 1.00 0.00 C ATOM 3 C LEU A 1 12.900 8.909 2.332 1.00 0.00 C ATOM 4 O LEU A 1 13.293 9.079 3.487 1.00 0.00 O ATOM 5 CB LEU A 1 14.307 7.434 0.828 1.00 0.00 C ATOM 6 CG LEU A 1 14.680 7.188 -0.646 1.00 0.00 C ATOM 7 CD1 LEU A 1 15.921 7.959 -1.106 1.00 0.00 C ATOM 8 CD2 LEU A 1 14.944 5.694 -0.862 1.00 0.00 C ATOM 0 H1 LEU A 1 15.111 10.522 0.907 1.00 0.00 H new ATOM 0 H2 LEU A 1 15.057 9.927 2.496 1.00 0.00 H new ATOM 0 H3 LEU A 1 15.934 9.091 1.306 1.00 0.00 H new ATOM 0 HA LEU A 1 13.407 9.326 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 1 15.157 7.161 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 1 13.487 6.768 1.096 1.00 0.00 H new ATOM 0 HG LEU A 1 13.835 7.544 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 1 16.121 7.735 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 1 15.748 9.029 -0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 1 16.778 7.663 -0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 1 15.208 5.518 -1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 1 15.765 5.373 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 1 14.047 5.126 -0.614 1.00 0.00 H new ATOM 20 N THR A 2 11.615 8.677 2.044 1.00 0.00 N ATOM 21 CA THR A 2 10.575 8.487 3.057 1.00 0.00 C ATOM 22 C THR A 2 10.554 7.043 3.570 1.00 0.00 C ATOM 23 O THR A 2 11.110 6.142 2.941 1.00 0.00 O ATOM 24 CB THR A 2 9.178 8.815 2.504 1.00 0.00 C ATOM 25 OG1 THR A 2 8.824 7.870 1.517 1.00 0.00 O ATOM 26 CG2 THR A 2 9.072 10.239 1.955 1.00 0.00 C ATOM 0 H THR A 2 11.265 8.615 1.088 1.00 0.00 H new ATOM 0 HA THR A 2 10.816 9.169 3.873 1.00 0.00 H new ATOM 0 HB THR A 2 8.477 8.758 3.337 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.551 8.337 0.700 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.063 10.410 1.579 1.00 0.00 H new ATOM 0 HG22 THR A 2 9.289 10.953 2.750 1.00 0.00 H new ATOM 0 HG23 THR A 2 9.788 10.370 1.144 1.00 0.00 H new ATOM 34 N LYS A 3 9.831 6.785 4.671 1.00 0.00 N ATOM 35 CA LYS A 3 9.576 5.424 5.167 1.00 0.00 C ATOM 36 C LYS A 3 8.957 4.528 4.081 1.00 0.00 C ATOM 37 O LYS A 3 9.379 3.384 3.922 1.00 0.00 O ATOM 38 CB LYS A 3 8.708 5.491 6.433 1.00 0.00 C ATOM 39 CG LYS A 3 8.655 4.137 7.163 1.00 0.00 C ATOM 40 CD LYS A 3 7.711 4.156 8.377 1.00 0.00 C ATOM 41 CE LYS A 3 8.136 5.128 9.485 1.00 0.00 C ATOM 42 NZ LYS A 3 9.427 4.747 10.088 1.00 0.00 N ATOM 0 H LYS A 3 9.406 7.515 5.243 1.00 0.00 H new ATOM 0 HA LYS A 3 10.527 4.961 5.430 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.105 6.251 7.106 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.697 5.799 6.165 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.329 3.365 6.466 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.658 3.866 7.492 1.00 0.00 H new ATOM 0 HD2 LYS A 3 6.709 4.421 8.040 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.652 3.150 8.793 1.00 0.00 H new ATOM 0 HE2 LYS A 3 8.210 6.135 9.075 1.00 0.00 H new ATOM 0 HE3 LYS A 3 7.368 5.155 10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 9.637 5.379 10.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 9.376 3.765 10.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.180 4.828 9.376 1.00 0.00 H new ATOM 56 N CYS A 4 8.032 5.078 3.282 1.00 0.00 N ATOM 57 CA CYS A 4 7.488 4.419 2.097 1.00 0.00 C ATOM 58 C CYS A 4 8.606 4.037 1.121 1.00 0.00 C ATOM 59 O CYS A 4 8.793 2.855 0.835 1.00 0.00 O ATOM 60 CB CYS A 4 6.439 5.315 1.422 1.00 0.00 C ATOM 61 SG CYS A 4 5.528 4.477 0.102 1.00 0.00 S ATOM 0 H CYS A 4 7.639 6.005 3.447 1.00 0.00 H new ATOM 0 HA CYS A 4 6.996 3.497 2.408 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.733 5.667 2.174 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.933 6.196 1.011 1.00 0.00 H new ATOM 66 N GLN A 5 9.362 5.025 0.629 1.00 0.00 N ATOM 67 CA GLN A 5 10.420 4.810 -0.360 1.00 0.00 C ATOM 68 C GLN A 5 11.505 3.853 0.142 1.00 0.00 C ATOM 69 O GLN A 5 11.998 3.046 -0.644 1.00 0.00 O ATOM 70 CB GLN A 5 11.044 6.154 -0.741 1.00 0.00 C ATOM 71 CG GLN A 5 10.108 7.045 -1.567 1.00 0.00 C ATOM 72 CD GLN A 5 10.697 8.443 -1.719 1.00 0.00 C ATOM 73 OE1 GLN A 5 11.070 9.089 -0.751 1.00 0.00 O ATOM 74 NE2 GLN A 5 10.808 8.962 -2.926 1.00 0.00 N ATOM 0 H GLN A 5 9.255 6.000 0.908 1.00 0.00 H new ATOM 0 HA GLN A 5 9.964 4.346 -1.234 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.331 6.684 0.167 1.00 0.00 H new ATOM 0 HB3 GLN A 5 11.958 5.975 -1.308 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.949 6.602 -2.550 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.133 7.105 -1.083 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.499 8.430 -3.740 1.00 0.00 H new ATOM 0 HE22 GLN A 5 11.202 9.895 -3.046 1.00 0.00 H new ATOM 83 N GLU A 6 11.854 3.903 1.432 1.00 0.00 N ATOM 84 CA GLU A 6 12.750 2.951 2.090 1.00 0.00 C ATOM 85 C GLU A 6 12.171 1.541 2.047 1.00 0.00 C ATOM 86 O GLU A 6 12.806 0.659 1.487 1.00 0.00 O ATOM 87 CB GLU A 6 12.994 3.368 3.544 1.00 0.00 C ATOM 88 CG GLU A 6 13.889 4.608 3.705 1.00 0.00 C ATOM 89 CD GLU A 6 15.365 4.317 3.421 1.00 0.00 C ATOM 90 OE1 GLU A 6 15.710 4.209 2.222 1.00 0.00 O ATOM 91 OE2 GLU A 6 16.132 4.239 4.406 1.00 0.00 O ATOM 0 H GLU A 6 11.511 4.627 2.063 1.00 0.00 H new ATOM 0 HA GLU A 6 13.699 2.953 1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.033 3.564 4.020 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.450 2.534 4.077 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.542 5.391 3.031 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.788 4.994 4.720 1.00 0.00 H new ATOM 98 N GLU A 7 10.963 1.320 2.580 1.00 0.00 N ATOM 99 CA GLU A 7 10.310 0.002 2.543 1.00 0.00 C ATOM 100 C GLU A 7 10.256 -0.558 1.115 1.00 0.00 C ATOM 101 O GLU A 7 10.647 -1.699 0.872 1.00 0.00 O ATOM 102 CB GLU A 7 8.883 0.098 3.102 1.00 0.00 C ATOM 103 CG GLU A 7 8.801 0.203 4.627 1.00 0.00 C ATOM 104 CD GLU A 7 7.340 0.331 5.061 1.00 0.00 C ATOM 105 OE1 GLU A 7 6.785 1.449 4.930 1.00 0.00 O ATOM 106 OE2 GLU A 7 6.773 -0.701 5.479 1.00 0.00 O ATOM 0 H GLU A 7 10.413 2.042 3.046 1.00 0.00 H new ATOM 0 HA GLU A 7 10.903 -0.674 3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.393 0.968 2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.321 -0.779 2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.250 -0.678 5.086 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.369 1.067 4.972 1.00 0.00 H new ATOM 113 N VAL A 8 9.825 0.269 0.161 1.00 0.00 N ATOM 114 CA VAL A 8 9.724 -0.061 -1.269 1.00 0.00 C ATOM 115 C VAL A 8 11.095 -0.327 -1.907 1.00 0.00 C ATOM 116 O VAL A 8 11.189 -1.064 -2.887 1.00 0.00 O ATOM 117 CB VAL A 8 8.974 1.083 -1.972 1.00 0.00 C ATOM 118 CG1 VAL A 8 8.921 1.030 -3.503 1.00 0.00 C ATOM 119 CG2 VAL A 8 7.507 1.057 -1.511 1.00 0.00 C ATOM 0 H VAL A 8 9.525 1.222 0.366 1.00 0.00 H new ATOM 0 HA VAL A 8 9.169 -0.992 -1.385 1.00 0.00 H new ATOM 0 HB VAL A 8 9.536 1.976 -1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.366 1.890 -3.878 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.935 1.050 -3.903 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.425 0.112 -3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.958 1.862 -1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.059 0.099 -1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.463 1.191 -0.430 1.00 0.00 H new ATOM 129 N SER A 9 12.156 0.236 -1.328 1.00 0.00 N ATOM 130 CA SER A 9 13.567 -0.040 -1.642 1.00 0.00 C ATOM 131 C SER A 9 14.215 -1.159 -0.807 1.00 0.00 C ATOM 132 O SER A 9 15.426 -1.362 -0.925 1.00 0.00 O ATOM 133 CB SER A 9 14.413 1.235 -1.498 1.00 0.00 C ATOM 134 OG SER A 9 13.840 2.319 -2.197 1.00 0.00 O ATOM 0 H SER A 9 12.054 0.932 -0.590 1.00 0.00 H new ATOM 0 HA SER A 9 13.552 -0.392 -2.673 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.509 1.491 -0.443 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.419 1.049 -1.874 1.00 0.00 H new ATOM 0 HG SER A 9 13.399 2.921 -1.562 1.00 0.00 H new ATOM 140 N HIS A 10 13.480 -1.857 0.071 1.00 0.00 N ATOM 141 CA HIS A 10 14.042 -2.868 0.987 1.00 0.00 C ATOM 142 C HIS A 10 13.278 -4.200 0.969 1.00 0.00 C ATOM 143 O HIS A 10 13.888 -5.255 1.132 1.00 0.00 O ATOM 144 CB HIS A 10 14.093 -2.310 2.422 1.00 0.00 C ATOM 145 CG HIS A 10 14.944 -1.077 2.628 1.00 0.00 C ATOM 146 ND1 HIS A 10 15.859 -0.535 1.750 1.00 0.00 N ATOM 147 CD2 HIS A 10 14.861 -0.235 3.704 1.00 0.00 C ATOM 148 CE1 HIS A 10 16.305 0.615 2.286 1.00 0.00 C ATOM 149 NE2 HIS A 10 15.730 0.835 3.479 1.00 0.00 N ATOM 0 H HIS A 10 12.472 -1.737 0.168 1.00 0.00 H new ATOM 0 HA HIS A 10 15.050 -3.083 0.631 1.00 0.00 H new ATOM 0 HB2 HIS A 10 13.075 -2.080 2.737 1.00 0.00 H new ATOM 0 HB3 HIS A 10 14.462 -3.095 3.082 1.00 0.00 H new ATOM 0 HD1 HIS A 10 16.146 -0.934 0.856 1.00 0.00 H new ATOM 0 HD2 HIS A 10 14.235 -0.373 4.573 1.00 0.00 H new ATOM 0 HE1 HIS A 10 17.026 1.271 1.821 1.00 0.00 H new ATOM 157 N ILE A 11 11.960 -4.168 0.761 1.00 0.00 N ATOM 158 CA ILE A 11 11.117 -5.358 0.584 1.00 0.00 C ATOM 159 C ILE A 11 11.375 -5.905 -0.836 1.00 0.00 C ATOM 160 O ILE A 11 11.463 -5.112 -1.776 1.00 0.00 O ATOM 161 CB ILE A 11 9.631 -4.974 0.823 1.00 0.00 C ATOM 162 CG1 ILE A 11 9.425 -4.479 2.279 1.00 0.00 C ATOM 163 CG2 ILE A 11 8.670 -6.150 0.560 1.00 0.00 C ATOM 164 CD1 ILE A 11 8.077 -3.789 2.514 1.00 0.00 C ATOM 0 H ILE A 11 11.435 -3.295 0.709 1.00 0.00 H new ATOM 0 HA ILE A 11 11.357 -6.141 1.303 1.00 0.00 H new ATOM 0 HB ILE A 11 9.400 -4.178 0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.511 -5.328 2.957 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.227 -3.786 2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.644 -5.829 0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.770 -6.477 -0.475 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.915 -6.976 1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.007 -3.471 3.554 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.995 -2.919 1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.268 -4.485 2.292 1.00 0.00 H new ATOM 176 N PRO A 12 11.487 -7.230 -1.058 1.00 0.00 N ATOM 177 CA PRO A 12 11.651 -7.772 -2.409 1.00 0.00 C ATOM 178 C PRO A 12 10.399 -7.529 -3.265 1.00 0.00 C ATOM 179 O PRO A 12 9.300 -7.356 -2.741 1.00 0.00 O ATOM 180 CB PRO A 12 11.925 -9.268 -2.208 1.00 0.00 C ATOM 181 CG PRO A 12 11.229 -9.581 -0.884 1.00 0.00 C ATOM 182 CD PRO A 12 11.446 -8.303 -0.076 1.00 0.00 C ATOM 0 HA PRO A 12 12.464 -7.286 -2.948 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.520 -9.864 -3.026 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.994 -9.478 -2.160 1.00 0.00 H new ATOM 0 HG2 PRO A 12 10.170 -9.795 -1.025 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.667 -10.450 -0.392 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.640 -8.149 0.641 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.374 -8.351 0.494 1.00 0.00 H new ATOM 190 N ALA A 13 10.537 -7.557 -4.596 1.00 0.00 N ATOM 191 CA ALA A 13 9.376 -7.557 -5.494 1.00 0.00 C ATOM 192 C ALA A 13 8.549 -8.844 -5.320 1.00 0.00 C ATOM 193 O ALA A 13 7.318 -8.807 -5.326 1.00 0.00 O ATOM 194 CB ALA A 13 9.862 -7.388 -6.938 1.00 0.00 C ATOM 0 H ALA A 13 11.438 -7.580 -5.074 1.00 0.00 H new ATOM 0 HA ALA A 13 8.720 -6.723 -5.244 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.006 -7.387 -7.612 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.400 -6.445 -7.033 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.527 -8.212 -7.197 1.00 0.00 H new ATOM 200 N VAL A 14 9.224 -9.979 -5.085 1.00 0.00 N ATOM 201 CA VAL A 14 8.610 -11.250 -4.683 1.00 0.00 C ATOM 202 C VAL A 14 8.233 -11.179 -3.193 1.00 0.00 C ATOM 203 O VAL A 14 8.799 -11.867 -2.347 1.00 0.00 O ATOM 204 CB VAL A 14 9.516 -12.459 -5.023 1.00 0.00 C ATOM 205 CG1 VAL A 14 8.756 -13.785 -4.850 1.00 0.00 C ATOM 206 CG2 VAL A 14 10.007 -12.414 -6.480 1.00 0.00 C ATOM 0 H VAL A 14 10.239 -10.038 -5.172 1.00 0.00 H new ATOM 0 HA VAL A 14 7.696 -11.408 -5.255 1.00 0.00 H new ATOM 0 HB VAL A 14 10.362 -12.401 -4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.416 -14.617 -5.095 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.421 -13.880 -3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.892 -13.799 -5.515 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.639 -13.280 -6.678 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.150 -12.429 -7.153 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.580 -11.501 -6.643 1.00 0.00 H new ATOM 216 N HIS A 15 7.261 -10.318 -2.877 1.00 0.00 N ATOM 217 CA HIS A 15 6.636 -10.210 -1.559 1.00 0.00 C ATOM 218 C HIS A 15 5.450 -11.164 -1.248 1.00 0.00 C ATOM 219 O HIS A 15 5.029 -11.125 -0.089 1.00 0.00 O ATOM 220 CB HIS A 15 6.230 -8.750 -1.313 1.00 0.00 C ATOM 221 CG HIS A 15 4.916 -8.357 -1.937 1.00 0.00 C ATOM 222 ND1 HIS A 15 3.699 -8.364 -1.294 1.00 0.00 N ATOM 223 CD2 HIS A 15 4.720 -7.876 -3.205 1.00 0.00 C ATOM 224 CE1 HIS A 15 2.789 -7.882 -2.155 1.00 0.00 C ATOM 225 NE2 HIS A 15 3.359 -7.581 -3.331 1.00 0.00 N ATOM 0 H HIS A 15 6.877 -9.658 -3.553 1.00 0.00 H new ATOM 0 HA HIS A 15 7.406 -10.547 -0.866 1.00 0.00 H new ATOM 0 HB2 HIS A 15 6.174 -8.577 -0.238 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.012 -8.098 -1.701 1.00 0.00 H new ATOM 0 HD1 HIS A 15 3.521 -8.677 -0.340 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.476 -7.748 -3.966 1.00 0.00 H new ATOM 0 HE1 HIS A 15 1.740 -7.754 -1.931 1.00 0.00 H new ATOM 233 N PRO A 16 4.878 -11.996 -2.164 1.00 0.00 N ATOM 234 CA PRO A 16 3.828 -12.972 -1.841 1.00 0.00 C ATOM 235 C PRO A 16 4.073 -13.770 -0.551 1.00 0.00 C ATOM 236 O PRO A 16 4.953 -14.624 -0.482 1.00 0.00 O ATOM 237 CB PRO A 16 3.678 -13.868 -3.072 1.00 0.00 C ATOM 238 CG PRO A 16 3.961 -12.884 -4.198 1.00 0.00 C ATOM 239 CD PRO A 16 5.087 -12.038 -3.609 1.00 0.00 C ATOM 0 HA PRO A 16 2.900 -12.445 -1.620 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.385 -14.698 -3.064 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.680 -14.300 -3.146 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.268 -13.390 -5.114 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.085 -12.283 -4.444 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.059 -12.471 -3.846 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.075 -11.033 -4.030 1.00 0.00 H new ATOM 247 N GLY A 17 3.290 -13.438 0.478 1.00 0.00 N ATOM 248 CA GLY A 17 3.437 -13.881 1.866 1.00 0.00 C ATOM 249 C GLY A 17 3.474 -12.715 2.865 1.00 0.00 C ATOM 250 O GLY A 17 3.173 -12.916 4.037 1.00 0.00 O ATOM 0 H GLY A 17 2.490 -12.817 0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.610 -14.544 2.120 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.353 -14.463 1.961 1.00 0.00 H new ATOM 254 N SER A 18 3.791 -11.496 2.406 1.00 0.00 N ATOM 255 CA SER A 18 3.789 -10.258 3.195 1.00 0.00 C ATOM 256 C SER A 18 3.204 -9.069 2.411 1.00 0.00 C ATOM 257 O SER A 18 2.791 -9.203 1.251 1.00 0.00 O ATOM 258 CB SER A 18 5.216 -9.970 3.678 1.00 0.00 C ATOM 259 OG SER A 18 5.202 -8.961 4.672 1.00 0.00 O ATOM 0 H SER A 18 4.067 -11.340 1.436 1.00 0.00 H new ATOM 0 HA SER A 18 3.138 -10.396 4.058 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.662 -10.880 4.079 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.835 -9.655 2.838 1.00 0.00 H new ATOM 0 HG SER A 18 6.118 -8.787 4.974 1.00 0.00 H new ATOM 265 N PHE A 19 3.124 -7.908 3.065 1.00 0.00 N ATOM 266 CA PHE A 19 2.732 -6.618 2.494 1.00 0.00 C ATOM 267 C PHE A 19 3.911 -5.960 1.754 1.00 0.00 C ATOM 268 O PHE A 19 5.074 -6.262 2.024 1.00 0.00 O ATOM 269 CB PHE A 19 2.219 -5.726 3.642 1.00 0.00 C ATOM 270 CG PHE A 19 1.901 -4.280 3.288 1.00 0.00 C ATOM 271 CD1 PHE A 19 0.984 -3.974 2.263 1.00 0.00 C ATOM 272 CD2 PHE A 19 2.534 -3.230 3.983 1.00 0.00 C ATOM 273 CE1 PHE A 19 0.725 -2.635 1.920 1.00 0.00 C ATOM 274 CE2 PHE A 19 2.258 -1.891 3.653 1.00 0.00 C ATOM 275 CZ PHE A 19 1.363 -1.592 2.612 1.00 0.00 C ATOM 0 H PHE A 19 3.342 -7.839 4.059 1.00 0.00 H new ATOM 0 HA PHE A 19 1.942 -6.759 1.757 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.319 -6.183 4.053 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.967 -5.727 4.435 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.478 -4.771 1.739 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.235 -3.455 4.773 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.033 -2.408 1.122 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.735 -1.091 4.201 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.166 -0.564 2.345 1.00 0.00 H new ATOM 285 N ARG A 20 3.601 -5.028 0.844 1.00 0.00 N ATOM 286 CA ARG A 20 4.562 -4.178 0.143 1.00 0.00 C ATOM 287 C ARG A 20 3.909 -2.821 -0.169 1.00 0.00 C ATOM 288 O ARG A 20 2.892 -2.815 -0.865 1.00 0.00 O ATOM 289 CB ARG A 20 5.024 -4.897 -1.130 1.00 0.00 C ATOM 290 CG ARG A 20 6.227 -4.185 -1.751 1.00 0.00 C ATOM 291 CD ARG A 20 6.771 -4.973 -2.949 1.00 0.00 C ATOM 292 NE ARG A 20 8.207 -4.737 -3.128 1.00 0.00 N ATOM 293 CZ ARG A 20 8.787 -3.605 -3.493 1.00 0.00 C ATOM 294 NH1 ARG A 20 8.102 -2.569 -3.910 1.00 0.00 N ATOM 295 NH2 ARG A 20 10.086 -3.475 -3.412 1.00 0.00 N ATOM 0 H ARG A 20 2.637 -4.841 0.568 1.00 0.00 H new ATOM 0 HA ARG A 20 5.438 -3.990 0.764 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.288 -5.928 -0.895 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.206 -4.933 -1.850 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.937 -3.184 -2.070 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.011 -4.066 -1.003 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.590 -6.038 -2.800 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.236 -4.682 -3.853 1.00 0.00 H new ATOM 0 HE ARG A 20 8.825 -5.530 -2.953 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.084 -2.618 -3.962 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.586 -1.714 -4.183 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.655 -4.248 -3.067 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.530 -2.601 -3.694 1.00 0.00 H new ATOM 309 N PRO A 21 4.411 -1.688 0.361 1.00 0.00 N ATOM 310 CA PRO A 21 3.854 -0.373 0.055 1.00 0.00 C ATOM 311 C PRO A 21 4.008 0.051 -1.416 1.00 0.00 C ATOM 312 O PRO A 21 4.691 -0.595 -2.211 1.00 0.00 O ATOM 313 CB PRO A 21 4.567 0.625 0.976 1.00 0.00 C ATOM 314 CG PRO A 21 5.218 -0.235 2.052 1.00 0.00 C ATOM 315 CD PRO A 21 5.468 -1.565 1.350 1.00 0.00 C ATOM 0 HA PRO A 21 2.777 -0.402 0.221 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.311 1.206 0.430 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.863 1.336 1.410 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.146 0.209 2.412 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.566 -0.355 2.917 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.450 -1.581 0.878 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.441 -2.393 2.058 1.00 0.00 H new ATOM 323 N LYS A 22 3.407 1.202 -1.742 1.00 0.00 N ATOM 324 CA LYS A 22 3.554 1.953 -2.997 1.00 0.00 C ATOM 325 C LYS A 22 3.638 3.452 -2.673 1.00 0.00 C ATOM 326 O LYS A 22 2.979 3.895 -1.730 1.00 0.00 O ATOM 327 CB LYS A 22 2.363 1.686 -3.941 1.00 0.00 C ATOM 328 CG LYS A 22 2.049 0.213 -4.258 1.00 0.00 C ATOM 329 CD LYS A 22 1.010 -0.409 -3.306 1.00 0.00 C ATOM 330 CE LYS A 22 0.662 -1.839 -3.723 1.00 0.00 C ATOM 331 NZ LYS A 22 1.797 -2.759 -3.531 1.00 0.00 N ATOM 0 H LYS A 22 2.765 1.663 -1.097 1.00 0.00 H new ATOM 0 HA LYS A 22 4.464 1.628 -3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.473 2.137 -3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.552 2.204 -4.881 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.683 0.139 -5.282 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.971 -0.367 -4.207 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.400 -0.409 -2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.107 0.201 -3.301 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.191 -2.189 -3.142 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.360 -1.848 -4.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.491 -3.733 -3.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.567 -2.500 -4.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.134 -2.694 -2.549 1.00 0.00 H new ATOM 345 N CYS A 23 4.380 4.250 -3.453 1.00 0.00 N ATOM 346 CA CYS A 23 4.621 5.672 -3.158 1.00 0.00 C ATOM 347 C CYS A 23 4.406 6.581 -4.372 1.00 0.00 C ATOM 348 O CYS A 23 4.461 6.140 -5.518 1.00 0.00 O ATOM 349 CB CYS A 23 6.046 5.873 -2.599 1.00 0.00 C ATOM 350 SG CYS A 23 6.728 4.566 -1.541 1.00 0.00 S ATOM 0 H CYS A 23 4.832 3.928 -4.309 1.00 0.00 H new ATOM 0 HA CYS A 23 3.885 5.960 -2.408 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.722 6.008 -3.444 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.056 6.803 -2.031 1.00 0.00 H new ATOM 355 N ASP A 24 4.150 7.862 -4.095 1.00 0.00 N ATOM 356 CA ASP A 24 3.703 8.867 -5.051 1.00 0.00 C ATOM 357 C ASP A 24 4.798 9.851 -5.512 1.00 0.00 C ATOM 358 O ASP A 24 5.952 9.778 -5.095 1.00 0.00 O ATOM 359 CB ASP A 24 2.457 9.572 -4.475 1.00 0.00 C ATOM 360 CG ASP A 24 2.685 10.335 -3.169 1.00 0.00 C ATOM 361 OD1 ASP A 24 3.747 10.990 -3.053 1.00 0.00 O ATOM 362 OD2 ASP A 24 1.794 10.262 -2.297 1.00 0.00 O ATOM 0 H ASP A 24 4.255 8.240 -3.153 1.00 0.00 H new ATOM 0 HA ASP A 24 3.438 8.354 -5.976 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.076 10.268 -5.222 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.681 8.825 -4.310 1.00 0.00 H new ATOM 367 N GLU A 25 4.419 10.813 -6.364 1.00 0.00 N ATOM 368 CA GLU A 25 5.281 11.879 -6.905 1.00 0.00 C ATOM 369 C GLU A 25 5.901 12.816 -5.849 1.00 0.00 C ATOM 370 O GLU A 25 6.863 13.515 -6.148 1.00 0.00 O ATOM 371 CB GLU A 25 4.508 12.689 -7.969 1.00 0.00 C ATOM 372 CG GLU A 25 3.405 13.630 -7.440 1.00 0.00 C ATOM 373 CD GLU A 25 2.330 12.908 -6.625 1.00 0.00 C ATOM 374 OE1 GLU A 25 1.723 11.972 -7.188 1.00 0.00 O ATOM 375 OE2 GLU A 25 2.206 13.229 -5.420 1.00 0.00 O ATOM 0 H GLU A 25 3.462 10.874 -6.712 1.00 0.00 H new ATOM 0 HA GLU A 25 6.132 11.370 -7.357 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.225 13.285 -8.534 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.054 11.988 -8.670 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.862 14.402 -6.821 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.933 14.135 -8.283 1.00 0.00 H new ATOM 382 N ASN A 26 5.380 12.802 -4.618 1.00 0.00 N ATOM 383 CA ASN A 26 5.931 13.484 -3.443 1.00 0.00 C ATOM 384 C ASN A 26 6.680 12.506 -2.507 1.00 0.00 C ATOM 385 O ASN A 26 6.934 12.831 -1.345 1.00 0.00 O ATOM 386 CB ASN A 26 4.791 14.236 -2.725 1.00 0.00 C ATOM 387 CG ASN A 26 4.395 15.513 -3.449 1.00 0.00 C ATOM 388 OD1 ASN A 26 5.024 16.546 -3.305 1.00 0.00 O ATOM 389 ND2 ASN A 26 3.336 15.499 -4.233 1.00 0.00 N ATOM 0 H ASN A 26 4.523 12.291 -4.404 1.00 0.00 H new ATOM 0 HA ASN A 26 6.680 14.209 -3.762 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.922 13.583 -2.644 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.103 14.479 -1.709 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.047 16.350 -4.715 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.805 14.637 -4.358 1.00 0.00 H new ATOM 396 N GLY A 27 6.984 11.283 -2.966 1.00 0.00 N ATOM 397 CA GLY A 27 7.659 10.232 -2.197 1.00 0.00 C ATOM 398 C GLY A 27 6.849 9.687 -1.016 1.00 0.00 C ATOM 399 O GLY A 27 7.353 8.866 -0.254 1.00 0.00 O ATOM 0 H GLY A 27 6.758 10.990 -3.917 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.900 9.407 -2.867 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.604 10.624 -1.822 1.00 0.00 H new ATOM 403 N ASN A 28 5.607 10.142 -0.844 1.00 0.00 N ATOM 404 CA ASN A 28 4.708 9.768 0.239 1.00 0.00 C ATOM 405 C ASN A 28 3.967 8.477 -0.138 1.00 0.00 C ATOM 406 O ASN A 28 4.000 8.072 -1.301 1.00 0.00 O ATOM 407 CB ASN A 28 3.759 10.953 0.481 1.00 0.00 C ATOM 408 CG ASN A 28 4.347 12.016 1.401 1.00 0.00 C ATOM 409 OD1 ASN A 28 3.858 12.242 2.496 1.00 0.00 O ATOM 410 ND2 ASN A 28 5.399 12.709 1.009 1.00 0.00 N ATOM 0 H ASN A 28 5.185 10.812 -1.487 1.00 0.00 H new ATOM 0 HA ASN A 28 5.245 9.560 1.164 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.507 11.409 -0.476 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.829 10.583 0.912 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.795 13.424 1.619 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.817 12.529 0.096 1.00 0.00 H new ATOM 417 N TYR A 29 3.296 7.829 0.821 1.00 0.00 N ATOM 418 CA TYR A 29 2.512 6.622 0.549 1.00 0.00 C ATOM 419 C TYR A 29 1.401 6.949 -0.451 1.00 0.00 C ATOM 420 O TYR A 29 0.603 7.856 -0.207 1.00 0.00 O ATOM 421 CB TYR A 29 1.932 6.031 1.843 1.00 0.00 C ATOM 422 CG TYR A 29 2.959 5.433 2.790 1.00 0.00 C ATOM 423 CD1 TYR A 29 3.604 6.249 3.738 1.00 0.00 C ATOM 424 CD2 TYR A 29 3.263 4.057 2.732 1.00 0.00 C ATOM 425 CE1 TYR A 29 4.536 5.697 4.635 1.00 0.00 C ATOM 426 CE2 TYR A 29 4.212 3.501 3.616 1.00 0.00 C ATOM 427 CZ TYR A 29 4.848 4.324 4.572 1.00 0.00 C ATOM 428 OH TYR A 29 5.781 3.817 5.421 1.00 0.00 O ATOM 0 H TYR A 29 3.281 8.124 1.797 1.00 0.00 H new ATOM 0 HA TYR A 29 3.169 5.867 0.116 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.386 6.814 2.370 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.209 5.259 1.580 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.382 7.305 3.777 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.768 3.427 2.008 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.013 6.326 5.373 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.451 2.449 3.562 1.00 0.00 H new ATOM 0 HH TYR A 29 6.040 2.920 5.124 1.00 0.00 H new ATOM 438 N LEU A 30 1.358 6.217 -1.574 1.00 0.00 N ATOM 439 CA LEU A 30 0.309 6.373 -2.580 1.00 0.00 C ATOM 440 C LEU A 30 -1.062 6.233 -1.890 1.00 0.00 C ATOM 441 O LEU A 30 -1.242 5.241 -1.184 1.00 0.00 O ATOM 442 CB LEU A 30 0.441 5.334 -3.716 1.00 0.00 C ATOM 443 CG LEU A 30 0.981 5.920 -5.032 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.405 4.800 -5.982 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.046 6.794 -5.753 1.00 0.00 C ATOM 0 H LEU A 30 2.049 5.504 -1.806 1.00 0.00 H new ATOM 0 HA LEU A 30 0.407 7.359 -3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.102 4.532 -3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.535 4.886 -3.902 1.00 0.00 H new ATOM 0 HG LEU A 30 1.835 6.541 -4.760 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.784 5.232 -6.908 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.187 4.202 -5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.546 4.166 -6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.389 7.181 -6.675 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.928 6.199 -5.990 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.332 7.626 -5.109 1.00 0.00 H new ATOM 457 N PRO A 31 -2.021 7.163 -2.063 1.00 0.00 N ATOM 458 CA PRO A 31 -3.332 7.127 -1.400 1.00 0.00 C ATOM 459 C PRO A 31 -4.153 5.829 -1.497 1.00 0.00 C ATOM 460 O PRO A 31 -5.139 5.714 -0.779 1.00 0.00 O ATOM 461 CB PRO A 31 -4.089 8.352 -1.908 1.00 0.00 C ATOM 462 CG PRO A 31 -2.942 9.340 -2.117 1.00 0.00 C ATOM 463 CD PRO A 31 -1.832 8.464 -2.682 1.00 0.00 C ATOM 0 HA PRO A 31 -3.158 7.148 -0.324 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.631 8.148 -2.832 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.819 8.715 -1.184 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.217 10.137 -2.807 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.644 9.816 -1.183 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.898 8.397 -3.768 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.849 8.873 -2.447 1.00 0.00 H new ATOM 471 N LEU A 32 -3.753 4.857 -2.324 1.00 0.00 N ATOM 472 CA LEU A 32 -4.228 3.475 -2.378 1.00 0.00 C ATOM 473 C LEU A 32 -3.035 2.559 -2.050 1.00 0.00 C ATOM 474 O LEU A 32 -1.993 2.653 -2.700 1.00 0.00 O ATOM 475 CB LEU A 32 -4.782 3.168 -3.782 1.00 0.00 C ATOM 476 CG LEU A 32 -5.292 1.720 -3.948 1.00 0.00 C ATOM 477 CD1 LEU A 32 -6.651 1.500 -3.293 1.00 0.00 C ATOM 478 CD2 LEU A 32 -5.434 1.380 -5.434 1.00 0.00 C ATOM 0 H LEU A 32 -3.034 5.032 -3.026 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.031 3.311 -1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.598 3.858 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.001 3.355 -4.519 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.558 1.078 -3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.962 0.466 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.579 1.709 -2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.385 2.167 -3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.794 0.357 -5.540 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.144 2.065 -5.898 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.465 1.476 -5.923 1.00 0.00 H new ATOM 490 N GLN A 33 -3.197 1.645 -1.087 1.00 0.00 N ATOM 491 CA GLN A 33 -2.227 0.584 -0.788 1.00 0.00 C ATOM 492 C GLN A 33 -2.903 -0.786 -0.916 1.00 0.00 C ATOM 493 O GLN A 33 -4.101 -0.917 -0.663 1.00 0.00 O ATOM 494 CB GLN A 33 -1.657 0.756 0.630 1.00 0.00 C ATOM 495 CG GLN A 33 -0.915 2.075 0.881 1.00 0.00 C ATOM 496 CD GLN A 33 0.391 2.223 0.107 1.00 0.00 C ATOM 497 OE1 GLN A 33 1.359 1.509 0.320 1.00 0.00 O ATOM 498 NE2 GLN A 33 0.496 3.190 -0.773 1.00 0.00 N ATOM 0 H GLN A 33 -4.019 1.621 -0.483 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.406 0.651 -1.501 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.476 0.677 1.345 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.975 -0.070 0.833 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.574 2.903 0.619 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.703 2.161 1.947 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.303 3.796 -0.963 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.376 3.336 -1.267 1.00 0.00 H new ATOM 507 N CYS A 34 -2.125 -1.815 -1.276 1.00 0.00 N ATOM 508 CA CYS A 34 -2.615 -3.182 -1.452 1.00 0.00 C ATOM 509 C CYS A 34 -1.661 -4.230 -0.870 1.00 0.00 C ATOM 510 O CYS A 34 -0.450 -4.036 -0.797 1.00 0.00 O ATOM 511 CB CYS A 34 -2.872 -3.460 -2.939 1.00 0.00 C ATOM 512 SG CYS A 34 -4.116 -2.419 -3.746 1.00 0.00 S ATOM 0 H CYS A 34 -1.126 -1.717 -1.455 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.550 -3.264 -0.897 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.930 -3.347 -3.476 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.176 -4.501 -3.045 1.00 0.00 H new ATOM 517 N TYR A 35 -2.236 -5.375 -0.500 1.00 0.00 N ATOM 518 CA TYR A 35 -1.608 -6.496 0.190 1.00 0.00 C ATOM 519 C TYR A 35 -2.023 -7.783 -0.538 1.00 0.00 C ATOM 520 O TYR A 35 -2.811 -8.591 -0.043 1.00 0.00 O ATOM 521 CB TYR A 35 -2.026 -6.400 1.668 1.00 0.00 C ATOM 522 CG TYR A 35 -1.335 -7.244 2.727 1.00 0.00 C ATOM 523 CD1 TYR A 35 -0.488 -8.329 2.416 1.00 0.00 C ATOM 524 CD2 TYR A 35 -1.588 -6.927 4.078 1.00 0.00 C ATOM 525 CE1 TYR A 35 0.075 -9.097 3.455 1.00 0.00 C ATOM 526 CE2 TYR A 35 -1.011 -7.681 5.117 1.00 0.00 C ATOM 527 CZ TYR A 35 -0.175 -8.774 4.802 1.00 0.00 C ATOM 528 OH TYR A 35 0.400 -9.516 5.785 1.00 0.00 O ATOM 0 H TYR A 35 -3.222 -5.553 -0.689 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.518 -6.488 0.175 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.914 -5.357 1.966 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.090 -6.633 1.716 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.272 -8.570 1.386 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.233 -6.095 4.318 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.704 -9.941 3.215 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.206 -7.425 6.148 1.00 0.00 H new ATOM 0 HH TYR A 35 0.130 -9.166 6.660 1.00 0.00 H new ATOM 538 N GLY A 36 -1.493 -7.952 -1.758 1.00 0.00 N ATOM 539 CA GLY A 36 -1.834 -9.040 -2.683 1.00 0.00 C ATOM 540 C GLY A 36 -1.761 -10.435 -2.057 1.00 0.00 C ATOM 541 O GLY A 36 -2.610 -11.273 -2.344 1.00 0.00 O ATOM 0 H GLY A 36 -0.794 -7.315 -2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.842 -8.876 -3.064 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.159 -9.001 -3.538 1.00 0.00 H new ATOM 545 N SER A 37 -0.817 -10.646 -1.132 1.00 0.00 N ATOM 546 CA SER A 37 -0.625 -11.861 -0.331 1.00 0.00 C ATOM 547 C SER A 37 -1.868 -12.346 0.429 1.00 0.00 C ATOM 548 O SER A 37 -1.940 -13.530 0.749 1.00 0.00 O ATOM 549 CB SER A 37 0.491 -11.602 0.683 1.00 0.00 C ATOM 550 OG SER A 37 1.644 -11.108 0.025 1.00 0.00 O ATOM 0 H SER A 37 -0.125 -9.930 -0.909 1.00 0.00 H new ATOM 0 HA SER A 37 -0.380 -12.651 -1.041 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.154 -10.884 1.430 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.732 -12.524 1.213 1.00 0.00 H new ATOM 0 HG SER A 37 1.810 -10.184 0.305 1.00 0.00 H new ATOM 556 N ILE A 38 -2.843 -11.467 0.703 1.00 0.00 N ATOM 557 CA ILE A 38 -4.147 -11.798 1.284 1.00 0.00 C ATOM 558 C ILE A 38 -5.323 -11.375 0.381 1.00 0.00 C ATOM 559 O ILE A 38 -6.482 -11.589 0.738 1.00 0.00 O ATOM 560 CB ILE A 38 -4.262 -11.188 2.698 1.00 0.00 C ATOM 561 CG1 ILE A 38 -4.044 -9.660 2.712 1.00 0.00 C ATOM 562 CG2 ILE A 38 -3.307 -11.898 3.673 1.00 0.00 C ATOM 563 CD1 ILE A 38 -4.481 -8.980 4.015 1.00 0.00 C ATOM 0 H ILE A 38 -2.738 -10.469 0.518 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.211 -12.883 1.365 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.287 -11.351 3.032 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.987 -9.452 2.542 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.593 -9.217 1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.403 -11.454 4.664 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.560 -12.957 3.724 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.281 -11.787 3.323 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.296 -7.908 3.946 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.545 -9.155 4.178 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.914 -9.393 4.849 1.00 0.00 H new ATOM 575 N GLY A 39 -5.048 -10.771 -0.783 1.00 0.00 N ATOM 576 CA GLY A 39 -6.057 -10.255 -1.701 1.00 0.00 C ATOM 577 C GLY A 39 -6.856 -9.120 -1.067 1.00 0.00 C ATOM 578 O GLY A 39 -8.061 -9.256 -0.886 1.00 0.00 O ATOM 0 H GLY A 39 -4.094 -10.627 -1.115 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.575 -9.899 -2.611 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.732 -11.060 -1.992 1.00 0.00 H new ATOM 582 N TYR A 40 -6.179 -8.024 -0.702 1.00 0.00 N ATOM 583 CA TYR A 40 -6.813 -6.814 -0.158 1.00 0.00 C ATOM 584 C TYR A 40 -6.147 -5.510 -0.617 1.00 0.00 C ATOM 585 O TYR A 40 -4.962 -5.488 -0.950 1.00 0.00 O ATOM 586 CB TYR A 40 -6.759 -6.838 1.384 1.00 0.00 C ATOM 587 CG TYR A 40 -7.899 -7.551 2.082 1.00 0.00 C ATOM 588 CD1 TYR A 40 -9.043 -6.825 2.464 1.00 0.00 C ATOM 589 CD2 TYR A 40 -7.795 -8.916 2.407 1.00 0.00 C ATOM 590 CE1 TYR A 40 -10.073 -7.452 3.187 1.00 0.00 C ATOM 591 CE2 TYR A 40 -8.823 -9.553 3.123 1.00 0.00 C ATOM 592 CZ TYR A 40 -9.963 -8.819 3.516 1.00 0.00 C ATOM 593 OH TYR A 40 -10.976 -9.439 4.180 1.00 0.00 O ATOM 0 H TYR A 40 -5.164 -7.951 -0.776 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.836 -6.827 -0.533 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.824 -7.309 1.687 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.728 -5.809 1.742 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -9.130 -5.781 2.200 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.922 -9.476 2.105 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -10.944 -6.890 3.489 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.741 -10.601 3.372 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.743 -10.379 4.329 1.00 0.00 H new ATOM 603 N CYS A 41 -6.912 -4.417 -0.534 1.00 0.00 N ATOM 604 CA CYS A 41 -6.480 -3.027 -0.648 1.00 0.00 C ATOM 605 C CYS A 41 -7.244 -2.154 0.356 1.00 0.00 C ATOM 606 O CYS A 41 -8.314 -2.527 0.850 1.00 0.00 O ATOM 607 CB CYS A 41 -6.677 -2.460 -2.061 1.00 0.00 C ATOM 608 SG CYS A 41 -5.908 -3.354 -3.438 1.00 0.00 S ATOM 0 H CYS A 41 -7.917 -4.489 -0.375 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.412 -3.011 -0.430 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.748 -2.403 -2.254 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.297 -1.439 -2.069 1.00 0.00 H new ATOM 613 N TRP A 42 -6.692 -0.972 0.623 1.00 0.00 N ATOM 614 CA TRP A 42 -7.315 0.108 1.382 1.00 0.00 C ATOM 615 C TRP A 42 -6.782 1.457 0.879 1.00 0.00 C ATOM 616 O TRP A 42 -5.712 1.523 0.265 1.00 0.00 O ATOM 617 CB TRP A 42 -7.026 -0.081 2.874 1.00 0.00 C ATOM 618 CG TRP A 42 -5.576 -0.133 3.246 1.00 0.00 C ATOM 619 CD1 TRP A 42 -4.817 0.929 3.594 1.00 0.00 C ATOM 620 CD2 TRP A 42 -4.686 -1.287 3.257 1.00 0.00 C ATOM 621 NE1 TRP A 42 -3.533 0.504 3.873 1.00 0.00 N ATOM 622 CE2 TRP A 42 -3.390 -0.848 3.655 1.00 0.00 C ATOM 623 CE3 TRP A 42 -4.835 -2.658 2.958 1.00 0.00 C ATOM 624 CZ2 TRP A 42 -2.296 -1.716 3.753 1.00 0.00 C ATOM 625 CZ3 TRP A 42 -3.746 -3.543 3.054 1.00 0.00 C ATOM 626 CH2 TRP A 42 -2.478 -3.077 3.451 1.00 0.00 C ATOM 0 H TRP A 42 -5.755 -0.731 0.301 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.396 0.091 1.240 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.496 0.735 3.424 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.502 -1.004 3.205 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -5.161 1.951 3.646 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.784 1.115 4.200 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -5.800 -3.033 2.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.328 -1.346 4.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.884 -4.589 2.821 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -1.647 -3.763 3.523 1.00 0.00 H new ATOM 637 N CYS A 43 -7.494 2.545 1.179 1.00 0.00 N ATOM 638 CA CYS A 43 -6.953 3.885 0.947 1.00 0.00 C ATOM 639 C CYS A 43 -6.116 4.311 2.160 1.00 0.00 C ATOM 640 O CYS A 43 -6.396 3.895 3.286 1.00 0.00 O ATOM 641 CB CYS A 43 -8.052 4.930 0.701 1.00 0.00 C ATOM 642 SG CYS A 43 -9.108 4.709 -0.756 1.00 0.00 S ATOM 0 H CYS A 43 -8.433 2.526 1.577 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.339 3.837 0.048 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.695 4.956 1.581 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.576 5.907 0.626 1.00 0.00 H new ATOM 647 N VAL A 44 -5.140 5.198 1.958 1.00 0.00 N ATOM 648 CA VAL A 44 -4.329 5.796 3.026 1.00 0.00 C ATOM 649 C VAL A 44 -4.193 7.310 2.853 1.00 0.00 C ATOM 650 O VAL A 44 -4.346 7.839 1.751 1.00 0.00 O ATOM 651 CB VAL A 44 -2.900 5.205 3.095 1.00 0.00 C ATOM 652 CG1 VAL A 44 -2.881 3.706 3.391 1.00 0.00 C ATOM 653 CG2 VAL A 44 -2.079 5.453 1.824 1.00 0.00 C ATOM 0 H VAL A 44 -4.884 5.529 1.028 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.862 5.564 3.948 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.441 5.740 3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.850 3.355 3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.361 3.519 4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.419 3.173 2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.088 5.013 1.939 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.582 4.997 0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.982 6.526 1.657 1.00 0.00 H new ATOM 663 N PHE A 45 -3.864 8.008 3.941 1.00 0.00 N ATOM 664 CA PHE A 45 -3.395 9.391 3.868 1.00 0.00 C ATOM 665 C PHE A 45 -1.884 9.349 3.527 1.00 0.00 C ATOM 666 O PHE A 45 -1.249 8.313 3.746 1.00 0.00 O ATOM 667 CB PHE A 45 -3.677 10.109 5.198 1.00 0.00 C ATOM 668 CG PHE A 45 -5.140 10.183 5.621 1.00 0.00 C ATOM 669 CD1 PHE A 45 -6.169 10.367 4.672 1.00 0.00 C ATOM 670 CD2 PHE A 45 -5.476 10.107 6.988 1.00 0.00 C ATOM 671 CE1 PHE A 45 -7.511 10.451 5.084 1.00 0.00 C ATOM 672 CE2 PHE A 45 -6.818 10.179 7.399 1.00 0.00 C ATOM 673 CZ PHE A 45 -7.838 10.349 6.447 1.00 0.00 C ATOM 0 H PHE A 45 -3.915 7.634 4.889 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.919 9.954 3.095 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.117 9.605 5.986 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.287 11.125 5.129 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.924 10.444 3.623 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.696 9.992 7.726 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.292 10.594 4.352 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.066 10.104 8.447 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.870 10.401 6.762 1.00 0.00 H new ATOM 683 N PRO A 46 -1.265 10.435 3.016 1.00 0.00 N ATOM 684 CA PRO A 46 0.120 10.429 2.518 1.00 0.00 C ATOM 685 C PRO A 46 1.194 9.857 3.466 1.00 0.00 C ATOM 686 O PRO A 46 2.208 9.332 3.004 1.00 0.00 O ATOM 687 CB PRO A 46 0.417 11.891 2.162 1.00 0.00 C ATOM 688 CG PRO A 46 -0.950 12.431 1.755 1.00 0.00 C ATOM 689 CD PRO A 46 -1.899 11.713 2.711 1.00 0.00 C ATOM 0 HA PRO A 46 0.180 9.742 1.674 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.830 12.437 3.010 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.140 11.970 1.350 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.006 13.514 1.867 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.179 12.206 0.713 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.057 12.297 3.618 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.877 11.565 2.253 1.00 0.00 H new ATOM 697 N ASN A 47 0.970 9.902 4.786 1.00 0.00 N ATOM 698 CA ASN A 47 1.851 9.333 5.801 1.00 0.00 C ATOM 699 C ASN A 47 1.702 7.806 5.999 1.00 0.00 C ATOM 700 O ASN A 47 2.451 7.234 6.786 1.00 0.00 O ATOM 701 CB ASN A 47 1.637 10.088 7.126 1.00 0.00 C ATOM 702 CG ASN A 47 0.400 9.628 7.885 1.00 0.00 C ATOM 703 OD1 ASN A 47 -0.628 9.279 7.311 1.00 0.00 O ATOM 704 ND2 ASN A 47 0.466 9.574 9.201 1.00 0.00 N ATOM 0 H ASN A 47 0.144 10.350 5.184 1.00 0.00 H new ATOM 0 HA ASN A 47 2.873 9.463 5.444 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.514 9.954 7.759 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.553 11.155 6.919 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.335 9.243 9.739 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.318 9.863 9.681 1.00 0.00 H new ATOM 711 N GLY A 48 0.737 7.161 5.328 1.00 0.00 N ATOM 712 CA GLY A 48 0.434 5.731 5.430 1.00 0.00 C ATOM 713 C GLY A 48 -0.796 5.392 6.287 1.00 0.00 C ATOM 714 O GLY A 48 -1.117 4.213 6.431 1.00 0.00 O ATOM 0 H GLY A 48 0.122 7.644 4.673 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.281 5.334 4.427 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.302 5.219 5.846 1.00 0.00 H new ATOM 718 N THR A 49 -1.493 6.389 6.854 1.00 0.00 N ATOM 719 CA THR A 49 -2.659 6.176 7.735 1.00 0.00 C ATOM 720 C THR A 49 -3.835 5.604 6.945 1.00 0.00 C ATOM 721 O THR A 49 -4.436 6.326 6.152 1.00 0.00 O ATOM 722 CB THR A 49 -3.121 7.474 8.421 1.00 0.00 C ATOM 723 OG1 THR A 49 -2.048 8.119 9.055 1.00 0.00 O ATOM 724 CG2 THR A 49 -4.188 7.223 9.488 1.00 0.00 C ATOM 0 H THR A 49 -1.264 7.373 6.715 1.00 0.00 H new ATOM 0 HA THR A 49 -2.337 5.472 8.502 1.00 0.00 H new ATOM 0 HB THR A 49 -3.536 8.093 7.626 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.728 8.853 8.491 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.479 8.171 9.941 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.060 6.757 9.028 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.786 6.562 10.256 1.00 0.00 H new ATOM 732 N GLU A 50 -4.167 4.327 7.158 1.00 0.00 N ATOM 733 CA GLU A 50 -5.323 3.661 6.547 1.00 0.00 C ATOM 734 C GLU A 50 -6.651 4.375 6.841 1.00 0.00 C ATOM 735 O GLU A 50 -6.993 4.639 7.993 1.00 0.00 O ATOM 736 CB GLU A 50 -5.354 2.185 6.978 1.00 0.00 C ATOM 737 CG GLU A 50 -6.594 1.437 6.449 1.00 0.00 C ATOM 738 CD GLU A 50 -6.487 -0.092 6.505 1.00 0.00 C ATOM 739 OE1 GLU A 50 -5.449 -0.622 6.964 1.00 0.00 O ATOM 740 OE2 GLU A 50 -7.460 -0.747 6.072 1.00 0.00 O ATOM 0 H GLU A 50 -3.630 3.715 7.772 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.205 3.711 5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.454 1.687 6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.337 2.128 8.066 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.464 1.749 7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.771 1.739 5.417 1.00 0.00 H new ATOM 747 N VAL A 51 -7.421 4.623 5.777 1.00 0.00 N ATOM 748 CA VAL A 51 -8.780 5.164 5.820 1.00 0.00 C ATOM 749 C VAL A 51 -9.747 3.997 6.072 1.00 0.00 C ATOM 750 O VAL A 51 -9.901 3.135 5.193 1.00 0.00 O ATOM 751 CB VAL A 51 -9.128 5.888 4.504 1.00 0.00 C ATOM 752 CG1 VAL A 51 -10.523 6.523 4.582 1.00 0.00 C ATOM 753 CG2 VAL A 51 -8.117 6.997 4.180 1.00 0.00 C ATOM 0 H VAL A 51 -7.100 4.445 4.825 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.862 5.899 6.621 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.100 5.133 3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.746 7.028 3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.267 5.747 4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.549 7.246 5.397 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.397 7.483 3.245 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.113 7.732 4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.122 6.564 4.080 1.00 0.00 H new ATOM 763 N PRO A 52 -10.385 3.919 7.258 1.00 0.00 N ATOM 764 CA PRO A 52 -11.211 2.775 7.633 1.00 0.00 C ATOM 765 C PRO A 52 -12.429 2.628 6.714 1.00 0.00 C ATOM 766 O PRO A 52 -12.825 3.555 6.010 1.00 0.00 O ATOM 767 CB PRO A 52 -11.600 3.007 9.098 1.00 0.00 C ATOM 768 CG PRO A 52 -11.551 4.525 9.241 1.00 0.00 C ATOM 769 CD PRO A 52 -10.399 4.917 8.318 1.00 0.00 C ATOM 0 HA PRO A 52 -10.670 1.835 7.522 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.593 2.615 9.317 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.906 2.517 9.781 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.489 4.990 8.937 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.364 4.828 10.271 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.546 5.918 7.912 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.452 4.928 8.857 1.00 0.00 H new ATOM 777 N ASN A 53 -13.015 1.427 6.718 1.00 0.00 N ATOM 778 CA ASN A 53 -14.092 0.969 5.835 1.00 0.00 C ATOM 779 C ASN A 53 -13.743 0.923 4.332 1.00 0.00 C ATOM 780 O ASN A 53 -14.544 0.400 3.562 1.00 0.00 O ATOM 781 CB ASN A 53 -15.376 1.768 6.118 1.00 0.00 C ATOM 782 CG ASN A 53 -15.729 1.807 7.595 1.00 0.00 C ATOM 783 OD1 ASN A 53 -16.069 0.805 8.201 1.00 0.00 O ATOM 784 ND2 ASN A 53 -15.638 2.963 8.224 1.00 0.00 N ATOM 0 H ASN A 53 -12.732 0.704 7.379 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.257 -0.080 6.080 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.253 2.787 5.751 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.203 1.327 5.562 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.852 3.020 9.220 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.353 3.800 7.715 1.00 0.00 H new ATOM 791 N THR A 54 -12.558 1.386 3.895 1.00 0.00 N ATOM 792 CA THR A 54 -12.093 1.156 2.515 1.00 0.00 C ATOM 793 C THR A 54 -11.587 -0.268 2.331 1.00 0.00 C ATOM 794 O THR A 54 -11.628 -0.774 1.215 1.00 0.00 O ATOM 795 CB THR A 54 -10.982 2.118 2.062 1.00 0.00 C ATOM 796 OG1 THR A 54 -9.817 2.033 2.862 1.00 0.00 O ATOM 797 CG2 THR A 54 -11.487 3.562 2.075 1.00 0.00 C ATOM 0 H THR A 54 -11.908 1.919 4.473 1.00 0.00 H new ATOM 0 HA THR A 54 -12.972 1.339 1.896 1.00 0.00 H new ATOM 0 HB THR A 54 -10.714 1.817 1.049 1.00 0.00 H new ATOM 0 HG1 THR A 54 -10.038 2.266 3.788 1.00 0.00 H new ATOM 0 HG21 THR A 54 -10.688 4.230 1.752 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.336 3.657 1.398 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.797 3.830 3.085 1.00 0.00 H new ATOM 805 N ARG A 55 -11.146 -0.913 3.422 1.00 0.00 N ATOM 806 CA ARG A 55 -10.525 -2.235 3.459 1.00 0.00 C ATOM 807 C ARG A 55 -11.368 -3.264 2.690 1.00 0.00 C ATOM 808 O ARG A 55 -12.403 -3.713 3.177 1.00 0.00 O ATOM 809 CB ARG A 55 -10.283 -2.634 4.927 1.00 0.00 C ATOM 810 CG ARG A 55 -9.673 -4.033 5.119 1.00 0.00 C ATOM 811 CD ARG A 55 -8.286 -4.226 4.493 1.00 0.00 C ATOM 812 NE ARG A 55 -7.229 -3.557 5.268 1.00 0.00 N ATOM 813 CZ ARG A 55 -6.091 -4.098 5.689 1.00 0.00 C ATOM 814 NH1 ARG A 55 -5.795 -5.356 5.457 1.00 0.00 N ATOM 815 NH2 ARG A 55 -5.216 -3.382 6.358 1.00 0.00 N ATOM 0 H ARG A 55 -11.220 -0.498 4.351 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.560 -2.207 2.954 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.622 -1.898 5.385 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.231 -2.589 5.463 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.605 -4.240 6.187 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.353 -4.771 4.694 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.065 -5.291 4.424 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.291 -3.835 3.475 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.386 -2.578 5.506 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.447 -5.946 4.941 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.913 -5.743 5.793 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.407 -2.400 6.559 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.345 -3.808 6.676 1.00 0.00 H new ATOM 829 N SER A 56 -10.935 -3.609 1.476 1.00 0.00 N ATOM 830 CA SER A 56 -11.699 -4.421 0.522 1.00 0.00 C ATOM 831 C SER A 56 -10.778 -5.340 -0.281 1.00 0.00 C ATOM 832 O SER A 56 -9.564 -5.163 -0.266 1.00 0.00 O ATOM 833 CB SER A 56 -12.490 -3.488 -0.404 1.00 0.00 C ATOM 834 OG SER A 56 -13.352 -4.249 -1.230 1.00 0.00 O ATOM 0 H SER A 56 -10.022 -3.326 1.119 1.00 0.00 H new ATOM 0 HA SER A 56 -12.392 -5.061 1.068 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.070 -2.780 0.188 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.805 -2.904 -1.018 1.00 0.00 H new ATOM 0 HG SER A 56 -13.856 -3.648 -1.818 1.00 0.00 H new ATOM 840 N ARG A 57 -11.341 -6.314 -1.008 1.00 0.00 N ATOM 841 CA ARG A 57 -10.601 -7.397 -1.682 1.00 0.00 C ATOM 842 C ARG A 57 -9.854 -6.967 -2.957 1.00 0.00 C ATOM 843 O ARG A 57 -9.277 -7.795 -3.658 1.00 0.00 O ATOM 844 CB ARG A 57 -11.527 -8.600 -1.960 1.00 0.00 C ATOM 845 CG ARG A 57 -12.305 -9.134 -0.742 1.00 0.00 C ATOM 846 CD ARG A 57 -11.469 -9.343 0.530 1.00 0.00 C ATOM 847 NE ARG A 57 -10.348 -10.284 0.353 1.00 0.00 N ATOM 848 CZ ARG A 57 -10.312 -11.564 0.696 1.00 0.00 C ATOM 849 NH1 ARG A 57 -11.399 -12.199 1.065 1.00 0.00 N ATOM 850 NH2 ARG A 57 -9.181 -12.231 0.687 1.00 0.00 N ATOM 0 H ARG A 57 -12.349 -6.375 -1.149 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.819 -7.694 -0.983 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.244 -8.314 -2.730 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.926 -9.412 -2.370 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -13.114 -8.440 -0.515 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.766 -10.083 -1.014 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -11.076 -8.381 0.858 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.118 -9.710 1.325 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.506 -9.908 -0.082 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.292 -11.708 1.092 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.351 -13.184 1.325 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.316 -11.765 0.414 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.167 -13.216 0.953 1.00 0.00 H new ATOM 864 N GLY A 58 -9.870 -5.671 -3.267 1.00 0.00 N ATOM 865 CA GLY A 58 -9.310 -5.078 -4.478 1.00 0.00 C ATOM 866 C GLY A 58 -9.358 -3.548 -4.450 1.00 0.00 C ATOM 867 O GLY A 58 -9.779 -2.951 -3.458 1.00 0.00 O ATOM 0 H GLY A 58 -10.293 -4.976 -2.652 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.277 -5.405 -4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.860 -5.441 -5.346 1.00 0.00 H new ATOM 871 N HIS A 59 -8.884 -2.934 -5.540 1.00 0.00 N ATOM 872 CA HIS A 59 -8.660 -1.494 -5.687 1.00 0.00 C ATOM 873 C HIS A 59 -9.916 -0.628 -5.470 1.00 0.00 C ATOM 874 O HIS A 59 -11.049 -1.090 -5.600 1.00 0.00 O ATOM 875 CB HIS A 59 -8.106 -1.219 -7.097 1.00 0.00 C ATOM 876 CG HIS A 59 -6.972 -2.117 -7.529 1.00 0.00 C ATOM 877 ND1 HIS A 59 -6.978 -2.949 -8.627 1.00 0.00 N ATOM 878 CD2 HIS A 59 -5.751 -2.241 -6.924 1.00 0.00 C ATOM 879 CE1 HIS A 59 -5.780 -3.558 -8.676 1.00 0.00 C ATOM 880 NE2 HIS A 59 -5.004 -3.163 -7.657 1.00 0.00 N ATOM 0 H HIS A 59 -8.635 -3.453 -6.382 1.00 0.00 H new ATOM 0 HA HIS A 59 -7.955 -1.213 -4.905 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -8.920 -1.318 -7.815 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -7.766 -0.184 -7.141 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -5.424 -1.718 -6.037 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -5.484 -4.269 -9.433 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -4.054 -3.475 -7.457 1.00 0.00 H new ATOM 888 N HIS A 60 -9.696 0.668 -5.220 1.00 0.00 N ATOM 889 CA HIS A 60 -10.734 1.699 -5.147 1.00 0.00 C ATOM 890 C HIS A 60 -10.157 3.076 -5.524 1.00 0.00 C ATOM 891 O HIS A 60 -8.942 3.267 -5.587 1.00 0.00 O ATOM 892 CB HIS A 60 -11.435 1.688 -3.770 1.00 0.00 C ATOM 893 CG HIS A 60 -10.707 0.962 -2.663 1.00 0.00 C ATOM 894 ND1 HIS A 60 -11.010 -0.286 -2.172 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.594 1.395 -2.003 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.111 -0.567 -1.213 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.223 0.423 -1.087 1.00 0.00 N ATOM 0 H HIS A 60 -8.760 1.038 -5.058 1.00 0.00 H new ATOM 0 HA HIS A 60 -11.508 1.474 -5.880 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -11.595 2.720 -3.457 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -12.419 1.235 -3.889 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -11.775 -0.887 -2.479 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.088 2.335 -2.166 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.107 -1.472 -0.623 1.00 0.00 H new ATOM 905 N ASN A 61 -11.039 4.045 -5.785 1.00 0.00 N ATOM 906 CA ASN A 61 -10.744 5.341 -6.377 1.00 0.00 C ATOM 907 C ASN A 61 -10.331 6.357 -5.309 1.00 0.00 C ATOM 908 O ASN A 61 -11.018 7.354 -5.082 1.00 0.00 O ATOM 909 CB ASN A 61 -11.967 5.797 -7.197 1.00 0.00 C ATOM 910 CG ASN A 61 -12.358 4.792 -8.270 1.00 0.00 C ATOM 911 OD1 ASN A 61 -13.051 3.822 -8.011 1.00 0.00 O ATOM 912 ND2 ASN A 61 -11.918 4.982 -9.498 1.00 0.00 N ATOM 0 H ASN A 61 -12.031 3.934 -5.575 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.890 5.260 -7.050 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.812 5.954 -6.526 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.749 6.757 -7.665 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.157 4.317 -10.234 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.339 5.794 -9.712 1.00 0.00 H new ATOM 919 N CYS A 62 -9.215 6.087 -4.627 1.00 0.00 N ATOM 920 CA CYS A 62 -8.709 6.991 -3.599 1.00 0.00 C ATOM 921 C CYS A 62 -8.274 8.346 -4.200 1.00 0.00 C ATOM 922 O CYS A 62 -8.025 8.457 -5.403 1.00 0.00 O ATOM 923 CB CYS A 62 -7.535 6.338 -2.853 1.00 0.00 C ATOM 924 SG CYS A 62 -7.804 4.632 -2.316 1.00 0.00 S ATOM 0 H CYS A 62 -8.648 5.251 -4.770 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.518 7.185 -2.895 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.658 6.363 -3.500 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.302 6.944 -1.977 1.00 0.00 H new ATOM 929 N SER A 63 -8.100 9.374 -3.359 1.00 0.00 N ATOM 930 CA SER A 63 -7.585 10.705 -3.720 1.00 0.00 C ATOM 931 C SER A 63 -6.084 10.664 -4.070 1.00 0.00 C ATOM 932 O SER A 63 -5.268 11.278 -3.391 1.00 0.00 O ATOM 933 CB SER A 63 -7.855 11.681 -2.564 1.00 0.00 C ATOM 934 OG SER A 63 -9.222 11.656 -2.197 1.00 0.00 O ATOM 0 H SER A 63 -8.323 9.300 -2.366 1.00 0.00 H new ATOM 0 HA SER A 63 -8.105 11.048 -4.614 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.238 11.415 -1.706 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.571 12.691 -2.860 1.00 0.00 H new ATOM 0 HG SER A 63 -9.374 12.282 -1.459 1.00 0.00 H new ATOM 940 N GLU A 64 -5.738 9.939 -5.140 1.00 0.00 N ATOM 941 CA GLU A 64 -4.434 9.468 -5.644 1.00 0.00 C ATOM 942 C GLU A 64 -3.255 10.440 -5.852 1.00 0.00 C ATOM 943 O GLU A 64 -2.283 10.100 -6.526 1.00 0.00 O ATOM 944 CB GLU A 64 -4.694 8.595 -6.896 1.00 0.00 C ATOM 945 CG GLU A 64 -3.848 7.313 -6.944 1.00 0.00 C ATOM 946 CD GLU A 64 -4.170 6.378 -5.776 1.00 0.00 C ATOM 947 OE1 GLU A 64 -5.290 5.824 -5.774 1.00 0.00 O ATOM 948 OE2 GLU A 64 -3.304 6.266 -4.880 1.00 0.00 O ATOM 0 H GLU A 64 -6.476 9.620 -5.768 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.028 8.922 -4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.749 8.324 -6.926 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.491 9.187 -7.789 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.027 6.794 -7.886 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.790 7.574 -6.920 1.00 0.00 H new ATOM 955 N SER A 65 -3.231 11.594 -5.187 1.00 0.00 N ATOM 956 CA SER A 65 -2.089 12.523 -5.118 1.00 0.00 C ATOM 957 C SER A 65 -1.553 12.941 -6.491 1.00 0.00 C ATOM 958 O SER A 65 -1.010 14.036 -6.632 1.00 0.00 O ATOM 959 CB SER A 65 -0.960 11.920 -4.265 1.00 0.00 C ATOM 960 OG SER A 65 -0.442 10.751 -4.871 1.00 0.00 O ATOM 0 H SER A 65 -4.037 11.927 -4.658 1.00 0.00 H new ATOM 0 HA SER A 65 -2.464 13.432 -4.647 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.163 12.653 -4.138 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.337 11.683 -3.270 1.00 0.00 H new ATOM 0 HG SER A 65 -0.888 10.604 -5.731 1.00 0.00 H new TER 966 SER A 65