USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 657 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 78 ASN : amide:sc= 0.366 K(o=1.5,f=-13!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -174:sc= 1.16 (180deg=-0.107) USER MOD Set 2.1: A 5 HIS : no HD1:sc= -0.0226 X(o=-0.023,f=-0.4) USER MOD Set 2.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot -41:sc= 0.513 USER MOD Single : A 10 TYR OH : rot 30:sc= 0 USER MOD Single : A 11 THR OG1 : rot -89:sc= 0.936 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.476) USER MOD Single : A 23 CYS SG : rot 72:sc= 0.836 USER MOD Single : A 29 THR OG1 : rot 171:sc= -1.03 USER MOD Single : A 34 ASN : amide:sc= -0.492 K(o=-0.49,f=-2.2!) USER MOD Single : A 35 LYS NZ :NH3+ 155:sc= 1.76 (180deg=1.08) USER MOD Single : A 44 THR OG1 : rot -81:sc= 1.13 USER MOD Single : A 46 HIS : no HD1:sc= -0.874 K(o=-0.87,f=-4.8) USER MOD Single : A 50 SER OG : rot -82:sc= 1.27 USER MOD Single : A 54 TYR OH : rot 71:sc= 1.17 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.733 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= 0.729 (180deg=0.647) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -159:sc= 0.627 (180deg=0.35) USER MOD Single : A 85 GLN : amide:sc= -1 K(o=-1,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 10.383 9.468 -12.183 1.00 0.00 N ATOM 2 CA GLU A 2 10.201 10.527 -11.207 1.00 0.00 C ATOM 3 C GLU A 2 10.082 9.904 -9.835 1.00 0.00 C ATOM 4 O GLU A 2 9.581 8.783 -9.695 1.00 0.00 O ATOM 5 CB GLU A 2 8.955 11.387 -11.535 1.00 0.00 C ATOM 6 CG GLU A 2 8.700 12.526 -10.542 1.00 0.00 C ATOM 7 CD GLU A 2 9.860 13.492 -10.444 1.00 0.00 C ATOM 8 OE1 GLU A 2 10.903 13.123 -9.871 1.00 0.00 O ATOM 9 OE2 GLU A 2 9.765 14.620 -10.955 1.00 0.00 O ATOM 0 HA GLU A 2 11.063 11.194 -11.234 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.071 11.809 -12.533 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.078 10.740 -11.562 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.805 13.070 -10.843 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.500 12.105 -9.557 1.00 0.00 H new ATOM 16 N LEU A 3 10.549 10.603 -8.838 1.00 0.00 N ATOM 17 CA LEU A 3 10.505 10.128 -7.495 1.00 0.00 C ATOM 18 C LEU A 3 9.633 10.997 -6.633 1.00 0.00 C ATOM 19 O LEU A 3 9.619 12.217 -6.758 1.00 0.00 O ATOM 20 CB LEU A 3 11.901 9.979 -6.894 1.00 0.00 C ATOM 21 CG LEU A 3 12.740 8.812 -7.419 1.00 0.00 C ATOM 22 CD1 LEU A 3 14.143 8.868 -6.842 1.00 0.00 C ATOM 23 CD2 LEU A 3 12.076 7.485 -7.054 1.00 0.00 C ATOM 0 H LEU A 3 10.973 11.525 -8.942 1.00 0.00 H new ATOM 0 HA LEU A 3 10.059 9.134 -7.525 1.00 0.00 H new ATOM 0 HB2 LEU A 3 12.451 10.903 -7.071 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.800 9.870 -5.814 1.00 0.00 H new ATOM 0 HG LEU A 3 12.806 8.890 -8.504 1.00 0.00 H new ATOM 0 HD11 LEU A 3 14.728 8.031 -7.225 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.618 9.805 -7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.092 8.808 -5.755 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.680 6.660 -7.432 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.991 7.406 -5.970 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.082 7.441 -7.500 1.00 0.00 H new ATOM 35 N LYS A 4 8.896 10.346 -5.794 1.00 0.00 N ATOM 36 CA LYS A 4 7.991 10.965 -4.849 1.00 0.00 C ATOM 37 C LYS A 4 8.698 11.407 -3.585 1.00 0.00 C ATOM 38 O LYS A 4 9.872 11.134 -3.379 1.00 0.00 O ATOM 39 CB LYS A 4 6.867 9.990 -4.460 1.00 0.00 C ATOM 40 CG LYS A 4 7.219 8.483 -4.595 1.00 0.00 C ATOM 41 CD LYS A 4 8.440 7.996 -3.798 1.00 0.00 C ATOM 42 CE LYS A 4 8.331 8.170 -2.290 1.00 0.00 C ATOM 43 NZ LYS A 4 9.483 7.546 -1.594 1.00 0.00 N ATOM 0 H LYS A 4 8.899 9.328 -5.736 1.00 0.00 H new ATOM 0 HA LYS A 4 7.579 11.844 -5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.578 10.188 -3.428 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.996 10.200 -5.080 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.352 7.900 -4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.389 8.264 -5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.601 6.940 -4.017 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.322 8.532 -4.148 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.287 9.231 -2.046 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.403 7.722 -1.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.382 7.680 -0.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.509 6.529 -1.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.366 7.991 -1.916 1.00 0.00 H new ATOM 57 N HIS A 5 7.954 12.055 -2.741 1.00 0.00 N ATOM 58 CA HIS A 5 8.422 12.488 -1.440 1.00 0.00 C ATOM 59 C HIS A 5 7.422 12.051 -0.367 1.00 0.00 C ATOM 60 O HIS A 5 7.791 11.803 0.764 1.00 0.00 O ATOM 61 CB HIS A 5 8.645 14.023 -1.414 1.00 0.00 C ATOM 62 CG HIS A 5 7.427 14.806 -1.789 1.00 0.00 C ATOM 63 ND1 HIS A 5 6.989 14.935 -3.080 1.00 0.00 N ATOM 64 CD2 HIS A 5 6.495 15.407 -1.015 1.00 0.00 C ATOM 65 CE1 HIS A 5 5.834 15.564 -3.063 1.00 0.00 C ATOM 66 NE2 HIS A 5 5.477 15.888 -1.832 1.00 0.00 N ATOM 0 H HIS A 5 6.984 12.307 -2.932 1.00 0.00 H new ATOM 0 HA HIS A 5 9.384 12.020 -1.232 1.00 0.00 H new ATOM 0 HB2 HIS A 5 8.965 14.319 -0.415 1.00 0.00 H new ATOM 0 HB3 HIS A 5 9.456 14.277 -2.097 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.535 15.498 0.060 1.00 0.00 H new ATOM 0 HE1 HIS A 5 5.251 15.788 -3.944 1.00 0.00 H new ATOM 0 HE2 HIS A 5 4.634 16.385 -1.543 1.00 0.00 H new ATOM 74 N SER A 6 6.162 11.911 -0.747 1.00 0.00 N ATOM 75 CA SER A 6 5.138 11.519 0.189 1.00 0.00 C ATOM 76 C SER A 6 4.207 10.514 -0.457 1.00 0.00 C ATOM 77 O SER A 6 4.286 10.289 -1.671 1.00 0.00 O ATOM 78 CB SER A 6 4.345 12.753 0.615 1.00 0.00 C ATOM 79 OG SER A 6 3.794 13.409 -0.525 1.00 0.00 O ATOM 0 H SER A 6 5.831 12.065 -1.699 1.00 0.00 H new ATOM 0 HA SER A 6 5.603 11.062 1.063 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.546 12.462 1.296 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.993 13.440 1.159 1.00 0.00 H new ATOM 0 HG SER A 6 3.288 14.197 -0.236 1.00 0.00 H new ATOM 85 N ILE A 7 3.323 9.925 0.339 1.00 0.00 N ATOM 86 CA ILE A 7 2.321 8.999 -0.169 1.00 0.00 C ATOM 87 C ILE A 7 1.314 9.737 -1.052 1.00 0.00 C ATOM 88 O ILE A 7 0.826 9.204 -2.032 1.00 0.00 O ATOM 89 CB ILE A 7 1.548 8.275 0.977 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.583 7.231 0.396 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.803 9.269 1.869 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.247 6.517 1.428 1.00 0.00 C ATOM 0 H ILE A 7 3.281 10.075 1.347 1.00 0.00 H new ATOM 0 HA ILE A 7 2.856 8.247 -0.750 1.00 0.00 H new ATOM 0 HB ILE A 7 2.280 7.763 1.602 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.083 7.723 -0.313 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.158 6.494 -0.165 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.276 8.728 2.656 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.516 9.960 2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.085 9.828 1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.901 5.798 0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.409 5.994 2.124 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.851 7.242 1.974 1.00 0.00 H new ATOM 104 N SER A 8 1.071 10.995 -0.731 1.00 0.00 N ATOM 105 CA SER A 8 0.084 11.760 -1.432 1.00 0.00 C ATOM 106 C SER A 8 0.675 12.327 -2.719 1.00 0.00 C ATOM 107 O SER A 8 0.028 13.107 -3.421 1.00 0.00 O ATOM 108 CB SER A 8 -0.495 12.865 -0.523 1.00 0.00 C ATOM 109 OG SER A 8 -1.559 13.580 -1.157 1.00 0.00 O ATOM 0 H SER A 8 1.551 11.500 0.014 1.00 0.00 H new ATOM 0 HA SER A 8 -0.744 11.107 -1.709 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.859 12.419 0.402 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.298 13.562 -0.250 1.00 0.00 H new ATOM 0 HG SER A 8 -1.331 13.740 -2.097 1.00 0.00 H new ATOM 115 N ASP A 9 1.923 11.986 -2.998 1.00 0.00 N ATOM 116 CA ASP A 9 2.518 12.332 -4.269 1.00 0.00 C ATOM 117 C ASP A 9 2.216 11.213 -5.262 1.00 0.00 C ATOM 118 O ASP A 9 2.272 11.403 -6.471 1.00 0.00 O ATOM 119 CB ASP A 9 4.021 12.560 -4.142 1.00 0.00 C ATOM 120 CG ASP A 9 4.619 13.132 -5.408 1.00 0.00 C ATOM 121 OD1 ASP A 9 4.442 14.342 -5.662 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.302 12.418 -6.136 1.00 0.00 O ATOM 0 H ASP A 9 2.536 11.474 -2.364 1.00 0.00 H new ATOM 0 HA ASP A 9 2.090 13.269 -4.624 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.215 13.238 -3.311 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.512 11.616 -3.904 1.00 0.00 H new ATOM 127 N TYR A 10 1.851 10.054 -4.722 1.00 0.00 N ATOM 128 CA TYR A 10 1.431 8.909 -5.521 1.00 0.00 C ATOM 129 C TYR A 10 -0.033 9.068 -5.810 1.00 0.00 C ATOM 130 O TYR A 10 -0.782 9.524 -4.943 1.00 0.00 O ATOM 131 CB TYR A 10 1.506 7.584 -4.726 1.00 0.00 C ATOM 132 CG TYR A 10 2.848 7.028 -4.325 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.690 7.702 -3.469 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.228 5.760 -4.750 1.00 0.00 C ATOM 135 CE1 TYR A 10 4.857 7.146 -3.050 1.00 0.00 C ATOM 136 CE2 TYR A 10 4.413 5.196 -4.344 1.00 0.00 C ATOM 137 CZ TYR A 10 5.225 5.890 -3.489 1.00 0.00 C ATOM 138 OH TYR A 10 6.419 5.325 -3.063 1.00 0.00 O ATOM 0 H TYR A 10 1.838 9.883 -3.717 1.00 0.00 H new ATOM 0 HA TYR A 10 2.076 8.874 -6.399 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.924 7.718 -3.814 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.001 6.820 -5.318 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.418 8.689 -3.125 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.579 5.207 -5.413 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.499 7.688 -2.371 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.700 4.216 -4.696 1.00 0.00 H new ATOM 0 HH TYR A 10 6.636 5.655 -2.166 1.00 0.00 H new ATOM 148 N THR A 11 -0.456 8.723 -6.989 1.00 0.00 N ATOM 149 CA THR A 11 -1.869 8.603 -7.236 1.00 0.00 C ATOM 150 C THR A 11 -2.325 7.281 -6.638 1.00 0.00 C ATOM 151 O THR A 11 -1.474 6.456 -6.224 1.00 0.00 O ATOM 152 CB THR A 11 -2.201 8.605 -8.746 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.379 7.646 -9.417 1.00 0.00 O ATOM 154 CG2 THR A 11 -2.009 9.977 -9.366 1.00 0.00 C ATOM 0 H THR A 11 0.145 8.521 -7.788 1.00 0.00 H new ATOM 0 HA THR A 11 -2.377 9.457 -6.788 1.00 0.00 H new ATOM 0 HB THR A 11 -3.252 8.339 -8.860 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.541 8.071 -9.695 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.253 9.934 -10.427 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.664 10.694 -8.872 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.972 10.289 -9.245 1.00 0.00 H new ATOM 162 N GLU A 12 -3.624 7.049 -6.608 1.00 0.00 N ATOM 163 CA GLU A 12 -4.155 5.788 -6.123 1.00 0.00 C ATOM 164 C GLU A 12 -3.564 4.658 -6.958 1.00 0.00 C ATOM 165 O GLU A 12 -3.136 3.655 -6.431 1.00 0.00 O ATOM 166 CB GLU A 12 -5.678 5.758 -6.231 1.00 0.00 C ATOM 167 CG GLU A 12 -6.302 4.471 -5.718 1.00 0.00 C ATOM 168 CD GLU A 12 -7.765 4.380 -6.020 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.583 4.843 -5.217 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.137 3.828 -7.066 1.00 0.00 O ATOM 0 H GLU A 12 -4.331 7.717 -6.914 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.886 5.669 -5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.090 6.599 -5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.962 5.899 -7.274 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.789 3.620 -6.165 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.152 4.403 -4.640 1.00 0.00 H new ATOM 177 N ALA A 13 -3.476 4.895 -8.260 1.00 0.00 N ATOM 178 CA ALA A 13 -2.940 3.932 -9.205 1.00 0.00 C ATOM 179 C ALA A 13 -1.479 3.590 -8.900 1.00 0.00 C ATOM 180 O ALA A 13 -1.117 2.429 -8.861 1.00 0.00 O ATOM 181 CB ALA A 13 -3.079 4.452 -10.623 1.00 0.00 C ATOM 0 H ALA A 13 -3.778 5.769 -8.691 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.519 3.014 -9.106 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.673 3.720 -11.321 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.132 4.621 -10.847 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.532 5.389 -10.722 1.00 0.00 H new ATOM 187 N GLU A 14 -0.663 4.604 -8.647 1.00 0.00 N ATOM 188 CA GLU A 14 0.770 4.404 -8.354 1.00 0.00 C ATOM 189 C GLU A 14 0.970 3.686 -7.041 1.00 0.00 C ATOM 190 O GLU A 14 1.903 2.887 -6.886 1.00 0.00 O ATOM 191 CB GLU A 14 1.487 5.723 -8.318 1.00 0.00 C ATOM 192 CG GLU A 14 1.531 6.424 -9.640 1.00 0.00 C ATOM 193 CD GLU A 14 1.957 7.834 -9.476 1.00 0.00 C ATOM 194 OE1 GLU A 14 1.082 8.692 -9.269 1.00 0.00 O ATOM 195 OE2 GLU A 14 3.151 8.118 -9.532 1.00 0.00 O ATOM 0 H GLU A 14 -0.959 5.580 -8.636 1.00 0.00 H new ATOM 0 HA GLU A 14 1.184 3.787 -9.151 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.999 6.371 -7.590 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.507 5.562 -7.969 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.220 5.907 -10.308 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.547 6.389 -10.108 1.00 0.00 H new ATOM 202 N PHE A 15 0.110 3.969 -6.096 1.00 0.00 N ATOM 203 CA PHE A 15 0.158 3.299 -4.824 1.00 0.00 C ATOM 204 C PHE A 15 -0.368 1.899 -4.987 1.00 0.00 C ATOM 205 O PHE A 15 0.080 1.004 -4.374 1.00 0.00 O ATOM 206 CB PHE A 15 -0.625 4.061 -3.764 1.00 0.00 C ATOM 207 CG PHE A 15 -0.497 3.477 -2.387 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.548 3.851 -1.565 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.429 2.563 -1.911 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.668 3.330 -0.297 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.312 2.040 -0.646 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.267 2.426 0.163 1.00 0.00 C ATOM 0 H PHE A 15 -0.634 4.661 -6.185 1.00 0.00 H new ATOM 0 HA PHE A 15 1.192 3.258 -4.482 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.282 5.095 -3.744 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.678 4.080 -4.045 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.280 4.561 -1.922 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.253 2.261 -2.541 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.491 3.628 0.336 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.039 1.327 -0.287 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.179 2.020 1.160 1.00 0.00 H new ATOM 222 N LEU A 16 -1.297 1.728 -5.845 1.00 0.00 N ATOM 223 CA LEU A 16 -1.847 0.418 -6.116 1.00 0.00 C ATOM 224 C LEU A 16 -0.816 -0.430 -6.836 1.00 0.00 C ATOM 225 O LEU A 16 -0.830 -1.657 -6.787 1.00 0.00 O ATOM 226 CB LEU A 16 -3.157 0.612 -6.875 1.00 0.00 C ATOM 227 CG LEU A 16 -4.027 -0.571 -7.063 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.454 -0.125 -7.212 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.654 -1.300 -8.270 1.00 0.00 C ATOM 0 H LEU A 16 -1.713 2.482 -6.392 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.081 -0.132 -5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.736 1.374 -6.354 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.917 1.012 -7.860 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.911 -1.219 -6.194 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.095 -0.996 -7.350 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.762 0.414 -6.316 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.542 0.531 -8.078 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.306 -2.165 -8.389 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.757 -0.646 -9.136 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.620 -1.634 -8.188 1.00 0.00 H new ATOM 241 N GLU A 17 0.068 0.224 -7.466 1.00 0.00 N ATOM 242 CA GLU A 17 1.188 -0.430 -8.031 1.00 0.00 C ATOM 243 C GLU A 17 2.230 -0.769 -6.965 1.00 0.00 C ATOM 244 O GLU A 17 3.071 -1.603 -7.208 1.00 0.00 O ATOM 245 CB GLU A 17 1.806 0.307 -9.198 1.00 0.00 C ATOM 246 CG GLU A 17 0.856 0.515 -10.350 1.00 0.00 C ATOM 247 CD GLU A 17 1.568 0.903 -11.598 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.350 1.867 -11.588 1.00 0.00 O ATOM 249 OE2 GLU A 17 1.377 0.227 -12.622 1.00 0.00 O ATOM 0 H GLU A 17 0.044 1.233 -7.610 1.00 0.00 H new ATOM 0 HA GLU A 17 0.806 -1.362 -8.447 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.166 1.277 -8.855 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.675 -0.250 -9.550 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.292 -0.401 -10.525 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.134 1.289 -10.089 1.00 0.00 H new ATOM 256 N PHE A 18 2.175 -0.090 -5.775 1.00 0.00 N ATOM 257 CA PHE A 18 3.109 -0.382 -4.649 1.00 0.00 C ATOM 258 C PHE A 18 3.014 -1.834 -4.356 1.00 0.00 C ATOM 259 O PHE A 18 4.000 -2.551 -4.341 1.00 0.00 O ATOM 260 CB PHE A 18 2.787 0.453 -3.305 1.00 0.00 C ATOM 261 CG PHE A 18 2.047 -0.285 -2.092 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.651 -0.408 -2.017 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.772 -0.842 -1.053 1.00 0.00 C ATOM 264 CE1 PHE A 18 0.031 -1.063 -0.946 1.00 0.00 C ATOM 265 CE2 PHE A 18 2.151 -1.488 0.007 1.00 0.00 C ATOM 266 CZ PHE A 18 0.788 -1.596 0.057 1.00 0.00 C ATOM 0 H PHE A 18 1.503 0.651 -5.578 1.00 0.00 H new ATOM 0 HA PHE A 18 4.110 -0.083 -4.959 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.731 0.843 -2.926 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.178 1.311 -3.589 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.041 0.012 -2.803 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.850 -0.772 -1.067 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.045 -1.146 -0.914 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.750 -1.910 0.801 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.314 -2.100 0.886 1.00 0.00 H new ATOM 276 N VAL A 19 1.800 -2.254 -4.218 1.00 0.00 N ATOM 277 CA VAL A 19 1.491 -3.576 -3.834 1.00 0.00 C ATOM 278 C VAL A 19 1.762 -4.557 -4.958 1.00 0.00 C ATOM 279 O VAL A 19 2.388 -5.575 -4.727 1.00 0.00 O ATOM 280 CB VAL A 19 0.054 -3.678 -3.241 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.014 -3.256 -4.214 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.219 -5.033 -2.626 1.00 0.00 C ATOM 0 H VAL A 19 0.981 -1.667 -4.375 1.00 0.00 H new ATOM 0 HA VAL A 19 2.162 -3.863 -3.025 1.00 0.00 H new ATOM 0 HB VAL A 19 0.011 -2.956 -2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.993 -3.349 -3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.850 -2.219 -4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.974 -3.894 -5.097 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.233 -5.054 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.113 -5.806 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.492 -5.217 -1.820 1.00 0.00 H new ATOM 292 N LYS A 20 1.358 -4.203 -6.184 1.00 0.00 N ATOM 293 CA LYS A 20 1.636 -5.045 -7.356 1.00 0.00 C ATOM 294 C LYS A 20 3.144 -5.259 -7.485 1.00 0.00 C ATOM 295 O LYS A 20 3.616 -6.357 -7.778 1.00 0.00 O ATOM 296 CB LYS A 20 1.140 -4.391 -8.641 1.00 0.00 C ATOM 297 CG LYS A 20 -0.354 -4.220 -8.733 1.00 0.00 C ATOM 298 CD LYS A 20 -0.733 -3.698 -10.089 1.00 0.00 C ATOM 299 CE LYS A 20 -2.228 -3.539 -10.269 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.582 -3.111 -11.645 1.00 0.00 N ATOM 0 H LYS A 20 0.842 -3.348 -6.390 1.00 0.00 H new ATOM 0 HA LYS A 20 1.117 -5.993 -7.213 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.609 -3.412 -8.737 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.475 -4.989 -9.488 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.849 -5.174 -8.551 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.697 -3.531 -7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.250 -2.734 -10.249 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.351 -4.376 -10.852 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.722 -4.484 -10.045 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.603 -2.806 -9.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.615 -3.015 -11.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.132 -2.196 -11.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.248 -3.822 -12.326 1.00 0.00 H new ATOM 314 N LYS A 21 3.888 -4.186 -7.237 1.00 0.00 N ATOM 315 CA LYS A 21 5.329 -4.205 -7.267 1.00 0.00 C ATOM 316 C LYS A 21 5.856 -5.172 -6.238 1.00 0.00 C ATOM 317 O LYS A 21 6.655 -6.006 -6.556 1.00 0.00 O ATOM 318 CB LYS A 21 5.910 -2.795 -7.047 1.00 0.00 C ATOM 319 CG LYS A 21 7.426 -2.736 -7.063 1.00 0.00 C ATOM 320 CD LYS A 21 7.940 -1.306 -7.005 1.00 0.00 C ATOM 321 CE LYS A 21 7.612 -0.597 -5.699 1.00 0.00 C ATOM 322 NZ LYS A 21 8.199 0.760 -5.681 1.00 0.00 N ATOM 0 H LYS A 21 3.494 -3.273 -7.008 1.00 0.00 H new ATOM 0 HA LYS A 21 5.647 -4.539 -8.254 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.524 -2.131 -7.820 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.553 -2.413 -6.091 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.820 -3.298 -6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.798 -3.219 -7.966 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.021 -1.311 -7.146 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.513 -0.741 -7.834 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.531 -0.533 -5.575 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.995 -1.176 -4.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.361 1.055 -4.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.103 0.754 -6.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.546 1.427 -6.139 1.00 0.00 H new ATOM 336 N ILE A 22 5.355 -5.088 -5.027 1.00 0.00 N ATOM 337 CA ILE A 22 5.774 -5.988 -3.955 1.00 0.00 C ATOM 338 C ILE A 22 5.451 -7.437 -4.335 1.00 0.00 C ATOM 339 O ILE A 22 6.272 -8.338 -4.164 1.00 0.00 O ATOM 340 CB ILE A 22 5.088 -5.620 -2.618 1.00 0.00 C ATOM 341 CG1 ILE A 22 5.420 -4.170 -2.267 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.540 -6.562 -1.502 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.779 -3.658 -1.018 1.00 0.00 C ATOM 0 H ILE A 22 4.651 -4.404 -4.750 1.00 0.00 H new ATOM 0 HA ILE A 22 6.851 -5.883 -3.821 1.00 0.00 H new ATOM 0 HB ILE A 22 4.009 -5.727 -2.726 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.501 -4.075 -2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.119 -3.533 -3.099 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.046 -6.286 -0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.277 -7.587 -1.762 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.620 -6.485 -1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.076 -2.622 -0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.695 -3.714 -1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.098 -4.264 -0.170 1.00 0.00 H new ATOM 355 N CYS A 23 4.272 -7.630 -4.898 1.00 0.00 N ATOM 356 CA CYS A 23 3.824 -8.916 -5.373 1.00 0.00 C ATOM 357 C CYS A 23 4.818 -9.529 -6.392 1.00 0.00 C ATOM 358 O CYS A 23 5.190 -10.687 -6.277 1.00 0.00 O ATOM 359 CB CYS A 23 2.427 -8.778 -5.993 1.00 0.00 C ATOM 360 SG CYS A 23 1.129 -8.323 -4.822 1.00 0.00 S ATOM 0 H CYS A 23 3.592 -6.883 -5.038 1.00 0.00 H new ATOM 0 HA CYS A 23 3.776 -9.597 -4.523 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.466 -8.027 -6.782 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.158 -9.723 -6.465 1.00 0.00 H new ATOM 0 HG CYS A 23 1.273 -7.078 -4.477 1.00 0.00 H new ATOM 366 N ARG A 24 5.274 -8.736 -7.344 1.00 0.00 N ATOM 367 CA ARG A 24 6.169 -9.236 -8.389 1.00 0.00 C ATOM 368 C ARG A 24 7.660 -9.162 -8.015 1.00 0.00 C ATOM 369 O ARG A 24 8.472 -9.952 -8.506 1.00 0.00 O ATOM 370 CB ARG A 24 5.916 -8.491 -9.693 1.00 0.00 C ATOM 371 CG ARG A 24 6.148 -7.004 -9.616 1.00 0.00 C ATOM 372 CD ARG A 24 5.794 -6.362 -10.913 1.00 0.00 C ATOM 373 NE ARG A 24 5.980 -4.904 -10.881 1.00 0.00 N ATOM 374 CZ ARG A 24 5.019 -4.008 -11.187 1.00 0.00 C ATOM 375 NH1 ARG A 24 3.756 -4.408 -11.377 1.00 0.00 N ATOM 376 NH2 ARG A 24 5.311 -2.711 -11.246 1.00 0.00 N ATOM 0 H ARG A 24 5.044 -7.745 -7.421 1.00 0.00 H new ATOM 0 HA ARG A 24 5.939 -10.294 -8.510 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.562 -8.907 -10.466 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.887 -8.670 -10.006 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.547 -6.576 -8.814 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.192 -6.803 -9.375 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.408 -6.787 -11.706 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.756 -6.589 -11.157 1.00 0.00 H new ATOM 0 HE ARG A 24 6.896 -4.546 -10.610 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.515 -5.395 -11.291 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.034 -3.725 -11.608 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.262 -2.393 -11.060 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.584 -2.034 -11.477 1.00 0.00 H new ATOM 390 N ALA A 25 8.001 -8.253 -7.140 1.00 0.00 N ATOM 391 CA ALA A 25 9.384 -7.965 -6.782 1.00 0.00 C ATOM 392 C ALA A 25 9.766 -8.548 -5.431 1.00 0.00 C ATOM 393 O ALA A 25 10.692 -8.058 -4.788 1.00 0.00 O ATOM 394 CB ALA A 25 9.647 -6.469 -6.818 1.00 0.00 C ATOM 0 H ALA A 25 7.322 -7.677 -6.642 1.00 0.00 H new ATOM 0 HA ALA A 25 10.015 -8.450 -7.527 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.685 -6.275 -6.548 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.457 -6.090 -7.822 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.988 -5.967 -6.110 1.00 0.00 H new ATOM 400 N GLU A 26 9.031 -9.570 -5.002 1.00 0.00 N ATOM 401 CA GLU A 26 9.264 -10.261 -3.715 1.00 0.00 C ATOM 402 C GLU A 26 10.751 -10.646 -3.480 1.00 0.00 C ATOM 403 O GLU A 26 11.209 -10.732 -2.332 1.00 0.00 O ATOM 404 CB GLU A 26 8.385 -11.504 -3.615 1.00 0.00 C ATOM 405 CG GLU A 26 8.623 -12.545 -4.693 1.00 0.00 C ATOM 406 CD GLU A 26 7.813 -13.782 -4.460 1.00 0.00 C ATOM 407 OE1 GLU A 26 8.292 -14.701 -3.767 1.00 0.00 O ATOM 408 OE2 GLU A 26 6.673 -13.865 -4.948 1.00 0.00 O ATOM 0 H GLU A 26 8.249 -9.953 -5.533 1.00 0.00 H new ATOM 0 HA GLU A 26 8.997 -9.549 -2.934 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.546 -11.967 -2.642 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.340 -11.196 -3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.372 -12.124 -5.667 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.682 -12.804 -4.721 1.00 0.00 H new ATOM 415 N GLY A 27 11.470 -10.913 -4.552 1.00 0.00 N ATOM 416 CA GLY A 27 12.874 -11.185 -4.453 1.00 0.00 C ATOM 417 C GLY A 27 13.195 -12.603 -4.061 1.00 0.00 C ATOM 418 O GLY A 27 12.401 -13.538 -4.309 1.00 0.00 O ATOM 0 H GLY A 27 11.096 -10.945 -5.500 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.345 -10.968 -5.412 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.315 -10.508 -3.721 1.00 0.00 H new ATOM 422 N ALA A 28 14.337 -12.773 -3.435 1.00 0.00 N ATOM 423 CA ALA A 28 14.809 -14.093 -3.068 1.00 0.00 C ATOM 424 C ALA A 28 14.323 -14.454 -1.689 1.00 0.00 C ATOM 425 O ALA A 28 13.663 -15.471 -1.492 1.00 0.00 O ATOM 426 CB ALA A 28 16.328 -14.168 -3.149 1.00 0.00 C ATOM 0 H ALA A 28 14.960 -12.011 -3.167 1.00 0.00 H new ATOM 0 HA ALA A 28 14.403 -14.816 -3.776 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.658 -15.168 -2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 28 16.649 -13.952 -4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.765 -13.438 -2.468 1.00 0.00 H new ATOM 432 N THR A 29 14.654 -13.626 -0.751 1.00 0.00 N ATOM 433 CA THR A 29 14.216 -13.782 0.591 1.00 0.00 C ATOM 434 C THR A 29 13.174 -12.709 0.857 1.00 0.00 C ATOM 435 O THR A 29 13.214 -11.642 0.213 1.00 0.00 O ATOM 436 CB THR A 29 15.416 -13.661 1.554 1.00 0.00 C ATOM 437 OG1 THR A 29 16.227 -12.526 1.186 1.00 0.00 O ATOM 438 CG2 THR A 29 16.268 -14.925 1.519 1.00 0.00 C ATOM 0 H THR A 29 15.247 -12.810 -0.903 1.00 0.00 H new ATOM 0 HA THR A 29 13.776 -14.766 0.751 1.00 0.00 H new ATOM 0 HB THR A 29 15.031 -13.526 2.565 1.00 0.00 H new ATOM 0 HG1 THR A 29 16.900 -12.366 1.880 1.00 0.00 H new ATOM 0 HG21 THR A 29 17.108 -14.817 2.205 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.662 -15.780 1.818 1.00 0.00 H new ATOM 0 HG23 THR A 29 16.644 -15.083 0.508 1.00 0.00 H new ATOM 446 N GLU A 30 12.259 -12.948 1.786 1.00 0.00 N ATOM 447 CA GLU A 30 11.160 -12.012 2.013 1.00 0.00 C ATOM 448 C GLU A 30 11.605 -10.676 2.567 1.00 0.00 C ATOM 449 O GLU A 30 10.820 -9.767 2.640 1.00 0.00 O ATOM 450 CB GLU A 30 10.037 -12.599 2.852 1.00 0.00 C ATOM 451 CG GLU A 30 10.456 -13.040 4.224 1.00 0.00 C ATOM 452 CD GLU A 30 9.285 -13.376 5.075 1.00 0.00 C ATOM 453 OE1 GLU A 30 8.703 -14.452 4.916 1.00 0.00 O ATOM 454 OE2 GLU A 30 8.925 -12.564 5.948 1.00 0.00 O ATOM 0 H GLU A 30 12.252 -13.770 2.389 1.00 0.00 H new ATOM 0 HA GLU A 30 10.759 -11.824 1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.245 -11.856 2.948 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.612 -13.452 2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.109 -13.909 4.143 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.036 -12.249 4.699 1.00 0.00 H new ATOM 461 N GLU A 31 12.859 -10.555 2.946 1.00 0.00 N ATOM 462 CA GLU A 31 13.392 -9.277 3.380 1.00 0.00 C ATOM 463 C GLU A 31 13.393 -8.299 2.197 1.00 0.00 C ATOM 464 O GLU A 31 13.216 -7.106 2.365 1.00 0.00 O ATOM 465 CB GLU A 31 14.818 -9.430 3.907 1.00 0.00 C ATOM 466 CG GLU A 31 15.803 -9.899 2.855 1.00 0.00 C ATOM 467 CD GLU A 31 17.203 -9.938 3.342 1.00 0.00 C ATOM 468 OE1 GLU A 31 17.841 -8.858 3.442 1.00 0.00 O ATOM 469 OE2 GLU A 31 17.708 -11.038 3.632 1.00 0.00 O ATOM 0 H GLU A 31 13.529 -11.323 2.963 1.00 0.00 H new ATOM 0 HA GLU A 31 12.763 -8.896 4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.154 -8.473 4.307 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.817 -10.139 4.735 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.515 -10.894 2.515 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.744 -9.238 1.991 1.00 0.00 H new ATOM 476 N ASP A 32 13.550 -8.842 0.988 1.00 0.00 N ATOM 477 CA ASP A 32 13.634 -8.040 -0.226 1.00 0.00 C ATOM 478 C ASP A 32 12.254 -7.539 -0.611 1.00 0.00 C ATOM 479 O ASP A 32 12.099 -6.494 -1.261 1.00 0.00 O ATOM 480 CB ASP A 32 14.295 -8.844 -1.349 1.00 0.00 C ATOM 481 CG ASP A 32 14.814 -7.960 -2.449 1.00 0.00 C ATOM 482 OD1 ASP A 32 15.537 -6.986 -2.144 1.00 0.00 O ATOM 483 OD2 ASP A 32 14.564 -8.234 -3.637 1.00 0.00 O ATOM 0 H ASP A 32 13.622 -9.847 0.827 1.00 0.00 H new ATOM 0 HA ASP A 32 14.261 -7.167 -0.045 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.117 -9.431 -0.939 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.574 -9.550 -1.762 1.00 0.00 H new ATOM 488 N ASP A 33 11.281 -8.277 -0.145 1.00 0.00 N ATOM 489 CA ASP A 33 9.854 -7.982 -0.273 1.00 0.00 C ATOM 490 C ASP A 33 9.495 -6.967 0.811 1.00 0.00 C ATOM 491 O ASP A 33 9.063 -5.837 0.534 1.00 0.00 O ATOM 492 CB ASP A 33 9.099 -9.313 -0.033 1.00 0.00 C ATOM 493 CG ASP A 33 7.581 -9.254 -0.043 1.00 0.00 C ATOM 494 OD1 ASP A 33 6.986 -8.655 0.855 1.00 0.00 O ATOM 495 OD2 ASP A 33 6.958 -9.909 -0.914 1.00 0.00 O ATOM 0 H ASP A 33 11.457 -9.145 0.361 1.00 0.00 H new ATOM 0 HA ASP A 33 9.594 -7.575 -1.250 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.416 -10.025 -0.795 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.416 -9.714 0.929 1.00 0.00 H new ATOM 500 N ASN A 34 9.786 -7.364 2.037 1.00 0.00 N ATOM 501 CA ASN A 34 9.531 -6.600 3.246 1.00 0.00 C ATOM 502 C ASN A 34 10.162 -5.222 3.213 1.00 0.00 C ATOM 503 O ASN A 34 9.550 -4.269 3.676 1.00 0.00 O ATOM 504 CB ASN A 34 10.003 -7.394 4.480 1.00 0.00 C ATOM 505 CG ASN A 34 9.877 -6.642 5.791 1.00 0.00 C ATOM 506 OD1 ASN A 34 8.821 -6.635 6.420 1.00 0.00 O ATOM 507 ND2 ASN A 34 10.957 -6.054 6.244 1.00 0.00 N ATOM 0 H ASN A 34 10.225 -8.265 2.226 1.00 0.00 H new ATOM 0 HA ASN A 34 8.454 -6.442 3.310 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.426 -8.316 4.547 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.045 -7.680 4.337 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.937 -5.572 7.143 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.818 -6.078 5.698 1.00 0.00 H new ATOM 514 N LYS A 35 11.370 -5.101 2.632 1.00 0.00 N ATOM 515 CA LYS A 35 12.052 -3.807 2.561 1.00 0.00 C ATOM 516 C LYS A 35 11.161 -2.785 1.857 1.00 0.00 C ATOM 517 O LYS A 35 11.135 -1.607 2.231 1.00 0.00 O ATOM 518 CB LYS A 35 13.429 -3.878 1.841 1.00 0.00 C ATOM 519 CG LYS A 35 13.363 -3.998 0.318 1.00 0.00 C ATOM 520 CD LYS A 35 14.728 -3.816 -0.316 1.00 0.00 C ATOM 521 CE LYS A 35 14.631 -3.627 -1.827 1.00 0.00 C ATOM 522 NZ LYS A 35 14.075 -4.803 -2.525 1.00 0.00 N ATOM 0 H LYS A 35 11.884 -5.876 2.212 1.00 0.00 H new ATOM 0 HA LYS A 35 12.244 -3.501 3.589 1.00 0.00 H new ATOM 0 HB2 LYS A 35 14.000 -2.985 2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.982 -4.732 2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.962 -4.975 0.046 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.675 -3.250 -0.077 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.222 -2.952 0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.349 -4.685 -0.098 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.008 -2.758 -2.039 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.623 -3.412 -2.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.644 -4.502 -3.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.837 -5.484 -2.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.352 -5.252 -1.927 1.00 0.00 H new ATOM 536 N LEU A 36 10.430 -3.245 0.843 1.00 0.00 N ATOM 537 CA LEU A 36 9.511 -2.385 0.131 1.00 0.00 C ATOM 538 C LEU A 36 8.330 -2.077 1.016 1.00 0.00 C ATOM 539 O LEU A 36 8.011 -0.928 1.243 1.00 0.00 O ATOM 540 CB LEU A 36 9.040 -3.032 -1.174 1.00 0.00 C ATOM 541 CG LEU A 36 10.126 -3.330 -2.206 1.00 0.00 C ATOM 542 CD1 LEU A 36 9.528 -4.009 -3.427 1.00 0.00 C ATOM 543 CD2 LEU A 36 10.839 -2.046 -2.606 1.00 0.00 C ATOM 0 H LEU A 36 10.462 -4.206 0.503 1.00 0.00 H new ATOM 0 HA LEU A 36 10.029 -1.461 -0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.533 -3.965 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.300 -2.377 -1.634 1.00 0.00 H new ATOM 0 HG LEU A 36 10.854 -4.007 -1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.316 -4.214 -4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.057 -4.946 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.781 -3.355 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.611 -2.272 -3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.120 -1.349 -3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.298 -1.595 -1.726 1.00 0.00 H new ATOM 555 N VAL A 37 7.741 -3.120 1.565 1.00 0.00 N ATOM 556 CA VAL A 37 6.560 -3.018 2.423 1.00 0.00 C ATOM 557 C VAL A 37 6.749 -1.966 3.529 1.00 0.00 C ATOM 558 O VAL A 37 5.896 -1.099 3.719 1.00 0.00 O ATOM 559 CB VAL A 37 6.238 -4.374 3.092 1.00 0.00 C ATOM 560 CG1 VAL A 37 4.993 -4.260 3.931 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.079 -5.480 2.068 1.00 0.00 C ATOM 0 H VAL A 37 8.067 -4.077 1.431 1.00 0.00 H new ATOM 0 HA VAL A 37 5.735 -2.718 1.777 1.00 0.00 H new ATOM 0 HB VAL A 37 7.080 -4.634 3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.778 -5.222 4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.144 -3.508 4.706 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.154 -3.967 3.300 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.853 -6.417 2.577 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.265 -5.231 1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.004 -5.588 1.502 1.00 0.00 H new ATOM 571 N ARG A 38 7.893 -2.017 4.195 1.00 0.00 N ATOM 572 CA ARG A 38 8.178 -1.128 5.320 1.00 0.00 C ATOM 573 C ARG A 38 8.165 0.340 4.909 1.00 0.00 C ATOM 574 O ARG A 38 7.605 1.164 5.624 1.00 0.00 O ATOM 575 CB ARG A 38 9.518 -1.458 5.982 1.00 0.00 C ATOM 576 CG ARG A 38 9.690 -2.912 6.352 1.00 0.00 C ATOM 577 CD ARG A 38 8.636 -3.405 7.316 1.00 0.00 C ATOM 578 NE ARG A 38 8.820 -2.879 8.667 1.00 0.00 N ATOM 579 CZ ARG A 38 7.947 -3.031 9.656 1.00 0.00 C ATOM 580 NH1 ARG A 38 6.686 -3.341 9.387 1.00 0.00 N ATOM 581 NH2 ARG A 38 8.308 -2.772 10.906 1.00 0.00 N ATOM 0 H ARG A 38 8.647 -2.669 3.976 1.00 0.00 H new ATOM 0 HA ARG A 38 7.378 -1.294 6.042 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.324 -1.170 5.307 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.624 -0.852 6.882 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.658 -3.518 5.446 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.675 -3.054 6.796 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.651 -3.118 6.949 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.659 -4.494 7.348 1.00 0.00 H new ATOM 0 HE ARG A 38 9.676 -2.361 8.863 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.386 -3.463 8.420 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.016 -3.458 10.147 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.257 -2.456 11.108 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.637 -2.889 11.665 1.00 0.00 H new ATOM 595 N GLU A 39 8.733 0.675 3.738 1.00 0.00 N ATOM 596 CA GLU A 39 8.772 2.075 3.329 1.00 0.00 C ATOM 597 C GLU A 39 7.357 2.570 3.057 1.00 0.00 C ATOM 598 O GLU A 39 7.023 3.718 3.349 1.00 0.00 O ATOM 599 CB GLU A 39 9.722 2.344 2.127 1.00 0.00 C ATOM 600 CG GLU A 39 9.288 1.764 0.795 1.00 0.00 C ATOM 601 CD GLU A 39 10.253 2.076 -0.323 1.00 0.00 C ATOM 602 OE1 GLU A 39 11.372 1.520 -0.347 1.00 0.00 O ATOM 603 OE2 GLU A 39 9.901 2.860 -1.224 1.00 0.00 O ATOM 0 H GLU A 39 9.156 0.017 3.083 1.00 0.00 H new ATOM 0 HA GLU A 39 9.197 2.644 4.156 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.834 3.422 2.012 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.707 1.945 2.371 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.187 0.683 0.890 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.303 2.154 0.538 1.00 0.00 H new ATOM 610 N PHE A 40 6.512 1.665 2.588 1.00 0.00 N ATOM 611 CA PHE A 40 5.132 1.972 2.310 1.00 0.00 C ATOM 612 C PHE A 40 4.302 2.049 3.594 1.00 0.00 C ATOM 613 O PHE A 40 3.425 2.911 3.719 1.00 0.00 O ATOM 614 CB PHE A 40 4.548 0.988 1.313 1.00 0.00 C ATOM 615 CG PHE A 40 5.162 1.085 -0.065 1.00 0.00 C ATOM 616 CD1 PHE A 40 4.950 2.199 -0.860 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.936 0.058 -0.567 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.500 2.276 -2.125 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.484 0.126 -1.828 1.00 0.00 C ATOM 620 CZ PHE A 40 6.268 1.235 -2.609 1.00 0.00 C ATOM 0 H PHE A 40 6.771 0.698 2.392 1.00 0.00 H new ATOM 0 HA PHE A 40 5.094 2.961 1.853 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.685 -0.025 1.692 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.474 1.157 1.236 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.349 3.015 -0.488 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.115 -0.816 0.042 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.329 3.150 -2.736 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.083 -0.691 -2.202 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.697 1.293 -3.598 1.00 0.00 H new ATOM 630 N GLU A 41 4.578 1.162 4.555 1.00 0.00 N ATOM 631 CA GLU A 41 3.955 1.222 5.880 1.00 0.00 C ATOM 632 C GLU A 41 4.284 2.548 6.576 1.00 0.00 C ATOM 633 O GLU A 41 3.474 3.097 7.319 1.00 0.00 O ATOM 634 CB GLU A 41 4.424 0.066 6.760 1.00 0.00 C ATOM 635 CG GLU A 41 3.828 -1.294 6.425 1.00 0.00 C ATOM 636 CD GLU A 41 4.364 -2.378 7.311 1.00 0.00 C ATOM 637 OE1 GLU A 41 5.469 -2.871 7.081 1.00 0.00 O ATOM 638 OE2 GLU A 41 3.673 -2.757 8.290 1.00 0.00 O ATOM 0 H GLU A 41 5.233 0.389 4.438 1.00 0.00 H new ATOM 0 HA GLU A 41 2.877 1.146 5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.509 -0.005 6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.187 0.302 7.797 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.743 -1.248 6.524 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.043 -1.537 5.384 1.00 0.00 H new ATOM 645 N ARG A 42 5.475 3.055 6.316 1.00 0.00 N ATOM 646 CA ARG A 42 5.926 4.331 6.875 1.00 0.00 C ATOM 647 C ARG A 42 5.246 5.510 6.177 1.00 0.00 C ATOM 648 O ARG A 42 5.036 6.563 6.767 1.00 0.00 O ATOM 649 CB ARG A 42 7.438 4.443 6.756 1.00 0.00 C ATOM 650 CG ARG A 42 8.189 3.414 7.578 1.00 0.00 C ATOM 651 CD ARG A 42 9.663 3.438 7.257 1.00 0.00 C ATOM 652 NE ARG A 42 10.421 2.448 8.021 1.00 0.00 N ATOM 653 CZ ARG A 42 11.657 2.030 7.725 1.00 0.00 C ATOM 654 NH1 ARG A 42 12.275 2.487 6.640 1.00 0.00 N ATOM 655 NH2 ARG A 42 12.271 1.152 8.518 1.00 0.00 N ATOM 0 H ARG A 42 6.161 2.600 5.713 1.00 0.00 H new ATOM 0 HA ARG A 42 5.648 4.362 7.929 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.721 4.336 5.709 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.746 5.441 7.069 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.041 3.613 8.639 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.786 2.421 7.380 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.802 3.254 6.192 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.060 4.432 7.463 1.00 0.00 H new ATOM 0 HE ARG A 42 9.973 2.045 8.844 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.807 3.158 6.031 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.217 2.167 6.417 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.799 0.799 9.350 1.00 0.00 H new ATOM 0 HH22 ARG A 42 13.213 0.833 8.293 1.00 0.00 H new ATOM 669 N LEU A 43 4.903 5.317 4.922 1.00 0.00 N ATOM 670 CA LEU A 43 4.206 6.334 4.141 1.00 0.00 C ATOM 671 C LEU A 43 2.741 6.436 4.553 1.00 0.00 C ATOM 672 O LEU A 43 2.156 7.517 4.576 1.00 0.00 O ATOM 673 CB LEU A 43 4.267 5.998 2.650 1.00 0.00 C ATOM 674 CG LEU A 43 5.623 6.053 1.963 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.472 5.627 0.523 1.00 0.00 C ATOM 676 CD2 LEU A 43 6.217 7.447 2.037 1.00 0.00 C ATOM 0 H LEU A 43 5.095 4.456 4.409 1.00 0.00 H new ATOM 0 HA LEU A 43 4.702 7.286 4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.865 4.994 2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.599 6.681 2.126 1.00 0.00 H new ATOM 0 HG LEU A 43 6.302 5.373 2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.443 5.666 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.085 4.609 0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.779 6.298 0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.186 7.457 1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.549 8.154 1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.344 7.734 3.081 1.00 0.00 H new ATOM 688 N THR A 44 2.165 5.310 4.876 1.00 0.00 N ATOM 689 CA THR A 44 0.765 5.222 5.198 1.00 0.00 C ATOM 690 C THR A 44 0.467 5.460 6.657 1.00 0.00 C ATOM 691 O THR A 44 -0.598 6.006 6.995 1.00 0.00 O ATOM 692 CB THR A 44 0.251 3.835 4.840 1.00 0.00 C ATOM 693 OG1 THR A 44 1.186 2.844 5.291 1.00 0.00 O ATOM 694 CG2 THR A 44 0.030 3.690 3.368 1.00 0.00 C ATOM 0 H THR A 44 2.658 4.419 4.924 1.00 0.00 H new ATOM 0 HA THR A 44 0.270 6.005 4.623 1.00 0.00 H new ATOM 0 HB THR A 44 -0.709 3.694 5.336 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.919 2.768 4.645 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.337 2.687 3.152 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.704 4.424 3.036 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.970 3.854 2.841 1.00 0.00 H new ATOM 702 N GLU A 45 1.419 5.048 7.506 1.00 0.00 N ATOM 703 CA GLU A 45 1.261 4.951 8.938 1.00 0.00 C ATOM 704 C GLU A 45 0.268 3.807 9.199 1.00 0.00 C ATOM 705 O GLU A 45 -0.370 3.699 10.256 1.00 0.00 O ATOM 706 CB GLU A 45 0.830 6.287 9.582 1.00 0.00 C ATOM 707 CG GLU A 45 0.925 6.258 11.088 1.00 0.00 C ATOM 708 CD GLU A 45 0.701 7.588 11.740 1.00 0.00 C ATOM 709 OE1 GLU A 45 1.676 8.347 11.917 1.00 0.00 O ATOM 710 OE2 GLU A 45 -0.445 7.903 12.116 1.00 0.00 O ATOM 0 H GLU A 45 2.347 4.767 7.189 1.00 0.00 H new ATOM 0 HA GLU A 45 2.217 4.731 9.413 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.457 7.091 9.197 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.195 6.514 9.290 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.193 5.548 11.474 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.910 5.887 11.372 1.00 0.00 H new ATOM 717 N HIS A 46 0.197 2.901 8.226 1.00 0.00 N ATOM 718 CA HIS A 46 -0.732 1.832 8.291 1.00 0.00 C ATOM 719 C HIS A 46 -0.133 0.654 9.083 1.00 0.00 C ATOM 720 O HIS A 46 0.908 0.110 8.723 1.00 0.00 O ATOM 721 CB HIS A 46 -1.225 1.399 6.883 1.00 0.00 C ATOM 722 CG HIS A 46 -2.445 0.539 6.944 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.485 -0.651 7.607 1.00 0.00 N ATOM 724 CD2 HIS A 46 -3.714 0.812 6.596 1.00 0.00 C ATOM 725 CE1 HIS A 46 -3.748 -1.039 7.685 1.00 0.00 C ATOM 726 NE2 HIS A 46 -4.538 -0.195 7.073 1.00 0.00 N ATOM 0 H HIS A 46 0.783 2.907 7.391 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.615 2.184 8.824 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.439 2.287 6.288 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.428 0.858 6.373 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.039 1.676 6.035 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.082 -1.934 8.188 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.550 -0.264 6.969 1.00 0.00 H new ATOM 734 N PRO A 47 -0.838 0.246 10.140 1.00 0.00 N ATOM 735 CA PRO A 47 -0.412 -0.795 11.080 1.00 0.00 C ATOM 736 C PRO A 47 -0.218 -2.131 10.438 1.00 0.00 C ATOM 737 O PRO A 47 0.828 -2.762 10.544 1.00 0.00 O ATOM 738 CB PRO A 47 -1.602 -0.890 12.038 1.00 0.00 C ATOM 739 CG PRO A 47 -2.727 -0.201 11.398 1.00 0.00 C ATOM 740 CD PRO A 47 -2.139 0.796 10.505 1.00 0.00 C ATOM 0 HA PRO A 47 0.546 -0.544 11.534 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.852 -1.932 12.239 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -1.363 -0.429 12.996 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.348 -0.903 10.842 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.368 0.272 12.142 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.762 0.956 9.625 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.036 1.761 11.002 1.00 0.00 H new ATOM 748 N ASP A 48 -1.217 -2.528 9.734 1.00 0.00 N ATOM 749 CA ASP A 48 -1.290 -3.812 9.165 1.00 0.00 C ATOM 750 C ASP A 48 -0.837 -3.734 7.747 1.00 0.00 C ATOM 751 O ASP A 48 -1.130 -4.606 6.970 1.00 0.00 O ATOM 752 CB ASP A 48 -2.735 -4.334 9.214 1.00 0.00 C ATOM 753 CG ASP A 48 -3.324 -4.335 10.600 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.199 -5.344 11.328 1.00 0.00 O ATOM 755 OD2 ASP A 48 -3.928 -3.327 10.991 1.00 0.00 O ATOM 0 H ASP A 48 -2.029 -1.944 9.536 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.653 -4.495 9.727 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.357 -3.720 8.563 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.761 -5.348 8.816 1.00 0.00 H new ATOM 760 N GLY A 49 -0.089 -2.663 7.414 1.00 0.00 N ATOM 761 CA GLY A 49 0.412 -2.470 6.027 1.00 0.00 C ATOM 762 C GLY A 49 1.167 -3.640 5.525 1.00 0.00 C ATOM 763 O GLY A 49 1.120 -3.961 4.344 1.00 0.00 O ATOM 0 H GLY A 49 0.181 -1.928 8.068 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.431 -2.275 5.364 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.052 -1.589 5.996 1.00 0.00 H new ATOM 767 N SER A 50 1.815 -4.301 6.409 1.00 0.00 N ATOM 768 CA SER A 50 2.500 -5.496 6.048 1.00 0.00 C ATOM 769 C SER A 50 1.538 -6.689 5.979 1.00 0.00 C ATOM 770 O SER A 50 1.516 -7.423 4.994 1.00 0.00 O ATOM 771 CB SER A 50 3.695 -5.722 6.958 1.00 0.00 C ATOM 772 OG SER A 50 3.390 -5.380 8.313 1.00 0.00 O ATOM 0 H SER A 50 1.889 -4.039 7.392 1.00 0.00 H new ATOM 0 HA SER A 50 2.901 -5.387 5.040 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.003 -6.766 6.905 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.537 -5.124 6.611 1.00 0.00 H new ATOM 0 HG SER A 50 3.480 -4.412 8.434 1.00 0.00 H new ATOM 778 N ASP A 51 0.676 -6.808 6.973 1.00 0.00 N ATOM 779 CA ASP A 51 -0.295 -7.908 7.059 1.00 0.00 C ATOM 780 C ASP A 51 -1.234 -7.934 5.863 1.00 0.00 C ATOM 781 O ASP A 51 -1.650 -8.971 5.456 1.00 0.00 O ATOM 782 CB ASP A 51 -1.118 -7.839 8.342 1.00 0.00 C ATOM 783 CG ASP A 51 -0.284 -7.915 9.583 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.169 -6.863 10.062 1.00 0.00 O ATOM 785 OD2 ASP A 51 -0.054 -9.023 10.107 1.00 0.00 O ATOM 0 H ASP A 51 0.622 -6.149 7.749 1.00 0.00 H new ATOM 0 HA ASP A 51 0.292 -8.827 7.064 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.687 -6.910 8.351 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.840 -8.655 8.347 1.00 0.00 H new ATOM 790 N LEU A 52 -1.530 -6.776 5.297 1.00 0.00 N ATOM 791 CA LEU A 52 -2.400 -6.666 4.095 1.00 0.00 C ATOM 792 C LEU A 52 -1.785 -7.426 2.934 1.00 0.00 C ATOM 793 O LEU A 52 -2.480 -8.040 2.129 1.00 0.00 O ATOM 794 CB LEU A 52 -2.547 -5.180 3.676 1.00 0.00 C ATOM 795 CG LEU A 52 -3.027 -4.192 4.748 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.136 -2.792 4.187 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.336 -4.631 5.362 1.00 0.00 C ATOM 0 H LEU A 52 -1.186 -5.879 5.641 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.376 -7.084 4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.580 -4.836 3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.242 -5.133 2.838 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.279 -4.182 5.541 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.478 -2.113 4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.160 -2.468 3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.849 -2.785 3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.645 -3.907 6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.099 -4.694 4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.210 -5.609 5.827 1.00 0.00 H new ATOM 809 N ILE A 53 -0.490 -7.402 2.886 1.00 0.00 N ATOM 810 CA ILE A 53 0.246 -7.998 1.792 1.00 0.00 C ATOM 811 C ILE A 53 0.553 -9.462 2.094 1.00 0.00 C ATOM 812 O ILE A 53 0.540 -10.320 1.211 1.00 0.00 O ATOM 813 CB ILE A 53 1.561 -7.218 1.611 1.00 0.00 C ATOM 814 CG1 ILE A 53 1.239 -5.750 1.344 1.00 0.00 C ATOM 815 CG2 ILE A 53 2.431 -7.806 0.498 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.441 -4.867 1.301 1.00 0.00 C ATOM 0 H ILE A 53 0.097 -6.970 3.600 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.350 -7.953 0.880 1.00 0.00 H new ATOM 0 HB ILE A 53 2.142 -7.301 2.529 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.708 -5.671 0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.563 -5.389 2.119 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.348 -7.223 0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.680 -8.839 0.739 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.886 -7.774 -0.445 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.131 -3.840 1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.962 -4.915 2.257 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.109 -5.200 0.507 1.00 0.00 H new ATOM 828 N TYR A 54 0.806 -9.732 3.340 1.00 0.00 N ATOM 829 CA TYR A 54 1.203 -11.050 3.770 1.00 0.00 C ATOM 830 C TYR A 54 0.027 -11.967 4.134 1.00 0.00 C ATOM 831 O TYR A 54 0.101 -13.180 3.939 1.00 0.00 O ATOM 832 CB TYR A 54 2.190 -10.939 4.914 1.00 0.00 C ATOM 833 CG TYR A 54 3.558 -10.434 4.505 1.00 0.00 C ATOM 834 CD1 TYR A 54 4.531 -11.303 4.043 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.869 -9.096 4.581 1.00 0.00 C ATOM 836 CE1 TYR A 54 5.775 -10.841 3.674 1.00 0.00 C ATOM 837 CE2 TYR A 54 5.100 -8.628 4.221 1.00 0.00 C ATOM 838 CZ TYR A 54 6.051 -9.499 3.773 1.00 0.00 C ATOM 839 OH TYR A 54 7.283 -9.024 3.421 1.00 0.00 O ATOM 0 H TYR A 54 0.744 -9.046 4.093 1.00 0.00 H new ATOM 0 HA TYR A 54 1.682 -11.529 2.917 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.779 -10.270 5.670 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.301 -11.918 5.380 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.312 -12.358 3.971 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.122 -8.400 4.934 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.526 -11.527 3.310 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.321 -7.573 4.290 1.00 0.00 H new ATOM 0 HH TYR A 54 7.385 -9.069 2.447 1.00 0.00 H new ATOM 849 N TYR A 55 -1.026 -11.406 4.651 1.00 0.00 N ATOM 850 CA TYR A 55 -2.194 -12.148 5.054 1.00 0.00 C ATOM 851 C TYR A 55 -3.390 -11.569 4.346 1.00 0.00 C ATOM 852 O TYR A 55 -3.872 -10.493 4.708 1.00 0.00 O ATOM 853 CB TYR A 55 -2.394 -12.101 6.574 1.00 0.00 C ATOM 854 CG TYR A 55 -1.276 -12.750 7.343 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.271 -14.116 7.563 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.218 -12.002 7.833 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.248 -14.720 8.255 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.809 -12.598 8.520 1.00 0.00 C ATOM 859 CZ TYR A 55 0.790 -13.958 8.731 1.00 0.00 C ATOM 860 OH TYR A 55 1.823 -14.561 9.423 1.00 0.00 O ATOM 0 H TYR A 55 -1.103 -10.401 4.809 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.065 -13.196 4.782 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.486 -11.062 6.889 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.333 -12.595 6.825 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.084 -14.718 7.185 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.201 -10.934 7.672 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.261 -15.787 8.423 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.629 -12.003 8.894 1.00 0.00 H new ATOM 0 HH TYR A 55 2.478 -13.882 9.690 1.00 0.00 H new ATOM 870 N PRO A 56 -3.833 -12.242 3.293 1.00 0.00 N ATOM 871 CA PRO A 56 -4.936 -11.801 2.449 1.00 0.00 C ATOM 872 C PRO A 56 -6.167 -11.277 3.191 1.00 0.00 C ATOM 873 O PRO A 56 -6.608 -11.817 4.213 1.00 0.00 O ATOM 874 CB PRO A 56 -5.287 -13.036 1.629 1.00 0.00 C ATOM 875 CG PRO A 56 -4.018 -13.801 1.540 1.00 0.00 C ATOM 876 CD PRO A 56 -3.255 -13.509 2.805 1.00 0.00 C ATOM 0 HA PRO A 56 -4.625 -10.938 1.860 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.070 -13.622 2.111 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.655 -12.763 0.640 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.214 -14.869 1.443 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.445 -13.501 0.663 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.375 -14.309 3.536 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.187 -13.411 2.612 1.00 0.00 H new ATOM 884 N ARG A 57 -6.727 -10.250 2.619 1.00 0.00 N ATOM 885 CA ARG A 57 -7.900 -9.562 3.128 1.00 0.00 C ATOM 886 C ARG A 57 -9.086 -10.080 2.397 1.00 0.00 C ATOM 887 O ARG A 57 -9.935 -9.308 1.962 1.00 0.00 O ATOM 888 CB ARG A 57 -7.844 -8.124 2.801 1.00 0.00 C ATOM 889 CG ARG A 57 -6.565 -7.416 3.225 1.00 0.00 C ATOM 890 CD ARG A 57 -6.458 -7.402 4.742 1.00 0.00 C ATOM 891 NE ARG A 57 -7.589 -6.683 5.351 1.00 0.00 N ATOM 892 CZ ARG A 57 -8.198 -6.998 6.495 1.00 0.00 C ATOM 893 NH1 ARG A 57 -7.732 -7.987 7.278 1.00 0.00 N ATOM 894 NH2 ARG A 57 -9.256 -6.297 6.858 1.00 0.00 N ATOM 0 H ARG A 57 -6.373 -9.846 1.752 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.948 -9.716 4.206 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.966 -8.007 1.724 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.691 -7.626 3.274 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.700 -7.922 2.796 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.560 -6.395 2.842 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.431 -8.425 5.116 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.522 -6.929 5.038 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.940 -5.866 4.851 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.901 -8.509 7.000 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.210 -8.215 8.150 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.590 -5.535 6.268 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.740 -6.518 7.728 1.00 0.00 H new ATOM 908 N ASP A 58 -9.130 -11.366 2.243 1.00 0.00 N ATOM 909 CA ASP A 58 -10.218 -12.116 1.542 1.00 0.00 C ATOM 910 C ASP A 58 -11.634 -11.799 2.124 1.00 0.00 C ATOM 911 O ASP A 58 -12.660 -12.255 1.623 1.00 0.00 O ATOM 912 CB ASP A 58 -9.915 -13.622 1.614 1.00 0.00 C ATOM 913 CG ASP A 58 -10.874 -14.479 0.823 1.00 0.00 C ATOM 914 OD1 ASP A 58 -10.733 -14.558 -0.414 1.00 0.00 O ATOM 915 OD2 ASP A 58 -11.767 -15.116 1.423 1.00 0.00 O ATOM 0 H ASP A 58 -8.399 -11.979 2.602 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.240 -11.793 0.501 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.903 -13.796 1.250 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.937 -13.937 2.657 1.00 0.00 H new ATOM 920 N ASP A 59 -11.648 -10.971 3.145 1.00 0.00 N ATOM 921 CA ASP A 59 -12.849 -10.487 3.798 1.00 0.00 C ATOM 922 C ASP A 59 -13.485 -9.451 2.880 1.00 0.00 C ATOM 923 O ASP A 59 -14.707 -9.279 2.842 1.00 0.00 O ATOM 924 CB ASP A 59 -12.472 -9.825 5.126 1.00 0.00 C ATOM 925 CG ASP A 59 -11.678 -10.735 6.026 1.00 0.00 C ATOM 926 OD1 ASP A 59 -10.436 -10.795 5.885 1.00 0.00 O ATOM 927 OD2 ASP A 59 -12.269 -11.398 6.904 1.00 0.00 O ATOM 0 H ASP A 59 -10.793 -10.601 3.560 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.540 -11.307 3.993 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.893 -8.923 4.926 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.380 -9.513 5.642 1.00 0.00 H new ATOM 932 N ARG A 60 -12.626 -8.769 2.143 1.00 0.00 N ATOM 933 CA ARG A 60 -13.008 -7.833 1.121 1.00 0.00 C ATOM 934 C ARG A 60 -12.384 -8.370 -0.155 1.00 0.00 C ATOM 935 O ARG A 60 -12.052 -9.562 -0.213 1.00 0.00 O ATOM 936 CB ARG A 60 -12.472 -6.413 1.424 1.00 0.00 C ATOM 937 CG ARG A 60 -10.951 -6.281 1.425 1.00 0.00 C ATOM 938 CD ARG A 60 -10.531 -4.826 1.349 1.00 0.00 C ATOM 939 NE ARG A 60 -10.811 -4.066 2.577 1.00 0.00 N ATOM 940 CZ ARG A 60 -11.667 -3.032 2.686 1.00 0.00 C ATOM 941 NH1 ARG A 60 -12.461 -2.692 1.673 1.00 0.00 N ATOM 942 NH2 ARG A 60 -11.702 -2.332 3.808 1.00 0.00 N ATOM 0 H ARG A 60 -11.616 -8.860 2.249 1.00 0.00 H new ATOM 0 HA ARG A 60 -14.092 -7.741 1.051 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.881 -5.722 0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.849 -6.099 2.397 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.544 -6.734 2.329 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.535 -6.828 0.579 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.463 -4.776 1.136 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.045 -4.352 0.513 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.312 -4.347 3.421 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.426 -3.217 0.799 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.104 -1.906 1.771 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.084 -2.577 4.581 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.347 -1.547 3.900 1.00 0.00 H new ATOM 956 N GLU A 61 -12.231 -7.566 -1.172 1.00 0.00 N ATOM 957 CA GLU A 61 -11.517 -8.046 -2.317 1.00 0.00 C ATOM 958 C GLU A 61 -10.032 -8.047 -1.986 1.00 0.00 C ATOM 959 O GLU A 61 -9.462 -7.017 -1.613 1.00 0.00 O ATOM 960 CB GLU A 61 -11.754 -7.194 -3.545 1.00 0.00 C ATOM 961 CG GLU A 61 -11.108 -7.773 -4.793 1.00 0.00 C ATOM 962 CD GLU A 61 -11.759 -9.052 -5.271 1.00 0.00 C ATOM 963 OE1 GLU A 61 -11.523 -10.132 -4.685 1.00 0.00 O ATOM 964 OE2 GLU A 61 -12.516 -9.000 -6.255 1.00 0.00 O ATOM 0 H GLU A 61 -12.578 -6.609 -1.231 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.876 -9.049 -2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.827 -7.092 -3.710 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.362 -6.192 -3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.151 -7.032 -5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.054 -7.964 -4.592 1.00 0.00 H new ATOM 971 N ASP A 62 -9.431 -9.179 -2.090 1.00 0.00 N ATOM 972 CA ASP A 62 -8.028 -9.311 -1.845 1.00 0.00 C ATOM 973 C ASP A 62 -7.312 -9.382 -3.157 1.00 0.00 C ATOM 974 O ASP A 62 -7.199 -10.443 -3.779 1.00 0.00 O ATOM 975 CB ASP A 62 -7.701 -10.522 -0.983 1.00 0.00 C ATOM 976 CG ASP A 62 -6.213 -10.671 -0.752 1.00 0.00 C ATOM 977 OD1 ASP A 62 -5.655 -9.959 0.109 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.586 -11.520 -1.403 1.00 0.00 O ATOM 0 H ASP A 62 -9.897 -10.049 -2.349 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.694 -8.438 -1.285 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.209 -10.431 -0.023 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.085 -11.422 -1.463 1.00 0.00 H new ATOM 983 N SER A 63 -6.948 -8.249 -3.627 1.00 0.00 N ATOM 984 CA SER A 63 -6.232 -8.100 -4.844 1.00 0.00 C ATOM 985 C SER A 63 -5.358 -6.883 -4.656 1.00 0.00 C ATOM 986 O SER A 63 -5.570 -6.161 -3.680 1.00 0.00 O ATOM 987 CB SER A 63 -7.246 -7.854 -5.972 1.00 0.00 C ATOM 988 OG SER A 63 -7.986 -6.650 -5.741 1.00 0.00 O ATOM 0 H SER A 63 -7.146 -7.364 -3.160 1.00 0.00 H new ATOM 0 HA SER A 63 -5.636 -8.977 -5.096 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.725 -7.787 -6.927 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.931 -8.699 -6.041 1.00 0.00 H new ATOM 0 HG SER A 63 -8.624 -6.513 -6.472 1.00 0.00 H new ATOM 994 N PRO A 64 -4.373 -6.606 -5.546 1.00 0.00 N ATOM 995 CA PRO A 64 -3.588 -5.361 -5.490 1.00 0.00 C ATOM 996 C PRO A 64 -4.511 -4.119 -5.423 1.00 0.00 C ATOM 997 O PRO A 64 -4.153 -3.095 -4.861 1.00 0.00 O ATOM 998 CB PRO A 64 -2.793 -5.407 -6.819 1.00 0.00 C ATOM 999 CG PRO A 64 -2.588 -6.855 -7.040 1.00 0.00 C ATOM 1000 CD PRO A 64 -3.879 -7.505 -6.618 1.00 0.00 C ATOM 0 HA PRO A 64 -2.951 -5.285 -4.608 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.349 -4.950 -7.637 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.846 -4.874 -6.740 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.364 -7.066 -8.086 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.749 -7.228 -6.453 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.586 -7.572 -7.445 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.719 -8.519 -6.252 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.720 -4.261 -5.952 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.696 -3.197 -5.960 1.00 0.00 C ATOM 1010 C GLU A 65 -7.418 -3.108 -4.610 1.00 0.00 C ATOM 1011 O GLU A 65 -7.486 -2.034 -3.996 1.00 0.00 O ATOM 1012 CB GLU A 65 -7.696 -3.426 -7.085 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.038 -3.683 -8.429 1.00 0.00 C ATOM 1014 CD GLU A 65 -8.028 -3.913 -9.534 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -8.762 -4.918 -9.494 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -8.068 -3.108 -10.481 1.00 0.00 O ATOM 0 H GLU A 65 -6.045 -5.124 -6.388 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.181 -2.251 -6.128 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.331 -4.275 -6.831 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.346 -2.555 -7.167 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.406 -2.833 -8.686 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.385 -4.552 -8.347 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.924 -4.239 -4.137 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.668 -4.264 -2.885 1.00 0.00 C ATOM 1025 C GLY A 66 -7.783 -4.029 -1.676 1.00 0.00 C ATOM 1026 O GLY A 66 -8.249 -3.537 -0.649 1.00 0.00 O ATOM 0 H GLY A 66 -7.834 -5.145 -4.597 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.447 -3.502 -2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.168 -5.227 -2.783 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.504 -4.379 -1.794 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.546 -4.089 -0.744 1.00 0.00 C ATOM 1032 C ILE A 67 -5.451 -2.582 -0.557 1.00 0.00 C ATOM 1033 O ILE A 67 -5.542 -2.098 0.554 1.00 0.00 O ATOM 1034 CB ILE A 67 -4.132 -4.713 -1.017 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.196 -6.250 -0.901 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -3.072 -4.142 -0.067 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.907 -6.959 -1.257 1.00 0.00 C ATOM 0 H ILE A 67 -6.114 -4.861 -2.604 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.905 -4.555 0.174 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.838 -4.448 -2.033 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.471 -6.514 0.120 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.990 -6.618 -1.550 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.106 -4.597 -0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.004 -3.063 -0.204 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.352 -4.360 0.964 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.042 -8.035 -1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.638 -6.730 -2.288 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.111 -6.624 -0.592 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.351 -1.848 -1.664 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.291 -0.382 -1.625 1.00 0.00 C ATOM 1051 C VAL A 68 -6.558 0.189 -1.033 1.00 0.00 C ATOM 1052 O VAL A 68 -6.520 1.178 -0.299 1.00 0.00 O ATOM 1053 CB VAL A 68 -5.022 0.228 -3.021 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -5.135 1.761 -3.016 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.650 -0.155 -3.449 1.00 0.00 C ATOM 0 H VAL A 68 -5.309 -2.243 -2.603 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.451 -0.112 -0.985 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.774 -0.157 -3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.938 2.144 -4.017 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.140 2.051 -2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.408 2.177 -2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.444 0.268 -4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.925 0.228 -2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.574 -1.241 -3.498 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.664 -0.466 -1.307 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.933 -0.070 -0.769 1.00 0.00 C ATOM 1067 C LYS A 69 -8.914 -0.144 0.751 1.00 0.00 C ATOM 1068 O LYS A 69 -9.516 0.680 1.410 1.00 0.00 O ATOM 1069 CB LYS A 69 -10.033 -0.937 -1.314 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.398 -0.438 -0.927 1.00 0.00 C ATOM 1071 CD LYS A 69 -12.199 -0.005 -2.135 1.00 0.00 C ATOM 1072 CE LYS A 69 -11.616 1.250 -2.783 1.00 0.00 C ATOM 1073 NZ LYS A 69 -12.357 1.636 -4.009 1.00 0.00 N ATOM 0 H LYS A 69 -7.702 -1.288 -1.910 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.122 0.961 -1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.957 -0.976 -2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.904 -1.956 -0.949 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.936 -1.224 -0.396 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.297 0.400 -0.238 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.221 -0.814 -2.865 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.230 0.185 -1.838 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.643 2.073 -2.069 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.569 1.077 -3.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.930 2.492 -4.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.310 0.861 -4.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.351 1.826 -3.769 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.177 -1.104 1.298 1.00 0.00 N ATOM 1088 CA GLU A 70 -8.063 -1.238 2.736 1.00 0.00 C ATOM 1089 C GLU A 70 -7.357 0.002 3.297 1.00 0.00 C ATOM 1090 O GLU A 70 -7.874 0.640 4.211 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.295 -2.506 3.117 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.399 -2.874 4.591 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.795 -3.286 4.975 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.161 -4.461 4.744 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -9.569 -2.458 5.497 1.00 0.00 O ATOM 0 H GLU A 70 -7.652 -1.797 0.764 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.062 -1.320 3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.667 -3.337 2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.244 -2.373 2.860 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.708 -3.688 4.811 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.093 -2.023 5.199 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.190 0.372 2.701 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.470 1.576 3.116 1.00 0.00 C ATOM 1104 C ILE A 71 -6.372 2.792 2.946 1.00 0.00 C ATOM 1105 O ILE A 71 -6.449 3.648 3.826 1.00 0.00 O ATOM 1106 CB ILE A 71 -4.136 1.835 2.308 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.100 0.726 2.488 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.502 3.162 2.699 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -3.292 -0.491 1.652 1.00 0.00 C ATOM 0 H ILE A 71 -5.745 -0.147 1.944 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.194 1.416 4.158 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.433 1.856 1.259 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.115 1.139 2.272 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.097 0.426 3.536 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.587 3.311 2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.198 3.974 2.488 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.266 3.153 3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.499 -1.207 1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.258 -0.941 1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.260 -0.217 0.598 1.00 0.00 H new ATOM 1121 N LYS A 72 -7.050 2.842 1.810 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.963 3.916 1.476 1.00 0.00 C ATOM 1123 C LYS A 72 -9.015 4.096 2.548 1.00 0.00 C ATOM 1124 O LYS A 72 -9.069 5.139 3.170 1.00 0.00 O ATOM 1125 CB LYS A 72 -8.649 3.639 0.131 1.00 0.00 C ATOM 1126 CG LYS A 72 -9.758 4.634 -0.223 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.211 5.987 -0.623 1.00 0.00 C ATOM 1128 CE LYS A 72 -8.677 5.951 -2.043 1.00 0.00 C ATOM 1129 NZ LYS A 72 -9.751 5.728 -3.035 1.00 0.00 N ATOM 0 H LYS A 72 -6.978 2.127 1.087 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.378 4.833 1.404 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.897 3.654 -0.658 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.070 2.634 0.151 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.357 4.231 -1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.423 4.752 0.632 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.995 6.740 -0.543 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.416 6.281 0.062 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.170 6.890 -2.263 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.933 5.159 -2.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.375 5.878 -3.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.105 4.754 -2.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.529 6.395 -2.860 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.776 3.054 2.808 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.881 3.123 3.740 1.00 0.00 C ATOM 1145 C GLU A 73 -10.403 3.382 5.160 1.00 0.00 C ATOM 1146 O GLU A 73 -11.052 4.118 5.910 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.722 1.855 3.675 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.330 1.582 2.302 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.245 2.684 1.829 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.440 2.669 2.183 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.796 3.575 1.087 1.00 0.00 O ATOM 0 H GLU A 73 -9.646 2.137 2.380 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.506 3.967 3.446 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.102 1.005 3.962 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.525 1.926 4.409 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.528 1.448 1.576 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.887 0.646 2.338 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.261 2.815 5.511 1.00 0.00 N ATOM 1159 CA TRP A 74 -8.690 2.993 6.830 1.00 0.00 C ATOM 1160 C TRP A 74 -8.255 4.442 7.006 1.00 0.00 C ATOM 1161 O TRP A 74 -8.721 5.129 7.919 1.00 0.00 O ATOM 1162 CB TRP A 74 -7.502 2.045 7.033 1.00 0.00 C ATOM 1163 CG TRP A 74 -6.977 1.961 8.446 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -7.476 1.193 9.451 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -5.838 2.641 8.998 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -6.722 1.347 10.585 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -5.710 2.224 10.335 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -4.920 3.550 8.490 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -4.696 2.688 11.170 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -3.915 4.021 9.312 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -3.805 3.587 10.632 1.00 0.00 C ATOM 0 H TRP A 74 -8.708 2.222 4.892 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.444 2.755 7.580 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -7.797 1.046 6.713 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.689 2.362 6.379 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.342 0.553 9.368 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.892 0.879 11.475 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.991 3.884 7.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -4.613 2.356 12.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.204 4.736 8.926 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.002 3.965 11.247 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.430 4.951 6.084 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.925 6.311 6.214 1.00 0.00 C ATOM 1184 C ARG A 75 -8.063 7.304 6.084 1.00 0.00 C ATOM 1185 O ARG A 75 -8.091 8.318 6.776 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.785 6.636 5.224 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.622 5.655 5.288 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.267 6.314 5.107 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.186 7.225 3.967 1.00 0.00 N ATOM 1190 CZ ARG A 75 -2.291 8.221 3.883 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -1.482 8.472 4.911 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -2.234 8.989 2.796 1.00 0.00 N ATOM 0 H ARG A 75 -7.106 4.449 5.257 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.487 6.394 7.209 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.187 6.644 4.211 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.414 7.640 5.428 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.642 5.141 6.249 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.754 4.895 4.517 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.020 6.865 6.015 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.511 5.537 4.990 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.843 7.097 3.197 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.544 7.908 5.758 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.800 9.228 4.851 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.874 8.822 2.019 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.551 9.744 2.740 1.00 0.00 H new ATOM 1206 N ALA A 76 -9.038 6.962 5.263 1.00 0.00 N ATOM 1207 CA ALA A 76 -10.212 7.782 5.061 1.00 0.00 C ATOM 1208 C ALA A 76 -11.048 7.883 6.349 1.00 0.00 C ATOM 1209 O ALA A 76 -11.594 8.945 6.660 1.00 0.00 O ATOM 1210 CB ALA A 76 -11.060 7.229 3.910 1.00 0.00 C ATOM 0 H ALA A 76 -9.035 6.102 4.715 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.880 8.786 4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.940 7.858 3.771 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.470 7.223 2.994 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.374 6.212 4.146 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.088 6.799 7.123 1.00 0.00 N ATOM 1217 CA ALA A 77 -11.908 6.736 8.335 1.00 0.00 C ATOM 1218 C ALA A 77 -11.164 7.369 9.469 1.00 0.00 C ATOM 1219 O ALA A 77 -11.742 7.862 10.434 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.265 5.296 8.677 1.00 0.00 C ATOM 0 H ALA A 77 -10.560 5.948 6.932 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.837 7.278 8.160 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.874 5.277 9.581 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.825 4.854 7.853 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.352 4.724 8.843 1.00 0.00 H new ATOM 1226 N ASN A 78 -9.863 7.346 9.338 1.00 0.00 N ATOM 1227 CA ASN A 78 -8.971 7.921 10.302 1.00 0.00 C ATOM 1228 C ASN A 78 -8.860 9.421 10.109 1.00 0.00 C ATOM 1229 O ASN A 78 -8.289 10.125 10.945 1.00 0.00 O ATOM 1230 CB ASN A 78 -7.577 7.312 10.174 1.00 0.00 C ATOM 1231 CG ASN A 78 -7.384 5.923 10.765 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -6.294 5.609 11.194 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -8.389 5.100 10.777 1.00 0.00 N ATOM 0 H ASN A 78 -9.389 6.919 8.543 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.378 7.709 11.291 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.319 7.271 9.116 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.865 7.987 10.650 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -8.274 4.160 11.155 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.294 5.394 10.409 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.375 9.896 8.990 1.00 0.00 N ATOM 1241 CA GLY A 79 -9.306 11.300 8.667 1.00 0.00 C ATOM 1242 C GLY A 79 -7.918 11.696 8.233 1.00 0.00 C ATOM 1243 O GLY A 79 -7.547 12.856 8.295 1.00 0.00 O ATOM 0 H GLY A 79 -9.847 9.323 8.290 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.016 11.528 7.872 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.600 11.890 9.535 1.00 0.00 H new ATOM 1247 N LYS A 80 -7.167 10.718 7.780 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.824 10.902 7.348 1.00 0.00 C ATOM 1249 C LYS A 80 -5.793 11.364 5.909 1.00 0.00 C ATOM 1250 O LYS A 80 -6.840 11.623 5.301 1.00 0.00 O ATOM 1251 CB LYS A 80 -5.062 9.597 7.483 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.725 9.202 8.913 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.181 7.788 8.964 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.519 7.447 10.304 1.00 0.00 C ATOM 1255 NZ LYS A 80 -4.411 7.548 11.486 1.00 0.00 N ATOM 0 H LYS A 80 -7.492 9.754 7.705 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.355 11.664 7.971 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.651 8.800 7.030 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.136 9.672 6.914 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.990 9.895 9.323 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.616 9.277 9.536 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.993 7.086 8.778 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.455 7.655 8.162 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.125 6.432 10.250 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.668 8.112 10.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.856 7.400 12.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.848 8.491 11.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.154 6.824 11.423 1.00 0.00 H new ATOM 1269 N SER A 81 -4.618 11.465 5.385 1.00 0.00 N ATOM 1270 CA SER A 81 -4.385 11.894 4.042 1.00 0.00 C ATOM 1271 C SER A 81 -4.829 10.802 3.040 1.00 0.00 C ATOM 1272 O SER A 81 -5.151 9.661 3.430 1.00 0.00 O ATOM 1273 CB SER A 81 -2.890 12.181 3.918 1.00 0.00 C ATOM 1274 OG SER A 81 -2.557 12.844 2.703 1.00 0.00 O ATOM 0 H SER A 81 -3.763 11.244 5.895 1.00 0.00 H new ATOM 0 HA SER A 81 -4.963 12.789 3.811 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.571 12.794 4.761 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.338 11.243 3.979 1.00 0.00 H new ATOM 0 HG SER A 81 -1.591 13.006 2.673 1.00 0.00 H new ATOM 1280 N GLY A 82 -4.808 11.134 1.776 1.00 0.00 N ATOM 1281 CA GLY A 82 -5.203 10.211 0.757 1.00 0.00 C ATOM 1282 C GLY A 82 -4.094 10.018 -0.238 1.00 0.00 C ATOM 1283 O GLY A 82 -2.920 9.918 0.147 1.00 0.00 O ATOM 0 H GLY A 82 -4.517 12.048 1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.466 9.254 1.207 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.094 10.580 0.250 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.450 9.945 -1.487 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.540 9.808 -2.561 1.00 0.00 C ATOM 1289 C PHE A 83 -3.756 10.984 -3.511 1.00 0.00 C ATOM 1290 O PHE A 83 -4.771 11.688 -3.414 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.839 8.513 -3.304 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.904 7.281 -2.427 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.756 6.738 -1.894 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -5.124 6.673 -2.138 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.814 5.619 -1.087 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -5.187 5.545 -1.329 1.00 0.00 C ATOM 1297 CZ PHE A 83 -4.028 5.022 -0.804 1.00 0.00 C ATOM 0 H PHE A 83 -5.424 9.982 -1.786 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.514 9.791 -2.194 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.790 8.621 -3.826 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.073 8.361 -4.064 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.800 7.192 -2.110 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.034 7.085 -2.549 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.905 5.208 -0.674 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -6.139 5.082 -1.114 1.00 0.00 H new ATOM 0 HZ PHE A 83 -4.067 4.147 -0.172 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.839 11.181 -4.417 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.922 12.243 -5.398 1.00 0.00 C ATOM 1309 C LYS A 84 -3.925 11.851 -6.472 1.00 0.00 C ATOM 1310 O LYS A 84 -4.153 10.665 -6.713 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.543 12.446 -6.043 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.441 13.600 -7.044 1.00 0.00 C ATOM 1313 CD LYS A 84 -0.043 13.711 -7.642 1.00 0.00 C ATOM 1314 CE LYS A 84 0.301 12.536 -8.553 1.00 0.00 C ATOM 1315 NZ LYS A 84 1.704 12.576 -9.011 1.00 0.00 N ATOM 0 H LYS A 84 -2.001 10.606 -4.501 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.240 13.167 -4.915 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.813 12.611 -5.251 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.260 11.524 -6.550 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.167 13.453 -7.843 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.699 14.535 -6.547 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.033 14.639 -8.208 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.689 13.768 -6.837 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.121 11.602 -8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.362 12.543 -9.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.804 12.003 -9.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.975 13.559 -9.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.323 12.194 -8.267 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.508 12.823 -7.093 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.424 12.612 -8.160 1.00 0.00 C ATOM 1331 C GLN A 85 -4.850 13.233 -9.415 1.00 0.00 C ATOM 1332 O GLN A 85 -4.301 14.337 -9.371 1.00 0.00 O ATOM 1333 CB GLN A 85 -6.853 13.147 -7.835 1.00 0.00 C ATOM 1334 CG GLN A 85 -6.966 14.635 -7.450 1.00 0.00 C ATOM 1335 CD GLN A 85 -6.356 14.977 -6.097 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -6.324 14.157 -5.182 1.00 0.00 O ATOM 1337 NE2 GLN A 85 -5.864 16.170 -5.965 1.00 0.00 N ATOM 0 H GLN A 85 -4.356 13.806 -6.866 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.552 11.540 -8.314 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.487 12.972 -8.704 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.261 12.552 -7.017 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.479 15.236 -8.218 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.019 14.918 -7.444 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.906 16.828 -6.743 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.435 16.450 -5.083 1.00 0.00 H new ATOM 1346 N GLY A 86 -4.914 12.509 -10.496 1.00 0.00 N ATOM 1347 CA GLY A 86 -4.355 12.987 -11.736 1.00 0.00 C ATOM 1348 C GLY A 86 -5.414 13.582 -12.615 1.00 0.00 C ATOM 1349 O GLY A 86 -6.569 13.122 -12.546 1.00 0.00 O ATOM 1350 OXT GLY A 86 -5.131 14.537 -13.364 1.00 0.00 O ATOM 0 H GLY A 86 -5.346 11.587 -10.548 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.589 13.734 -11.528 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.865 12.165 -12.258 1.00 0.00 H new TER 1354 GLY A 86