USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 0 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 16 ASN : amide:sc= 0.858 K(o=-46,f=-50) USER MOD Set 1.2: A 33 CYS SG : rot 148:sc= -21.4! USER MOD Set 1.3: A 42 CYS SG : rot 128:sc= -25.7! USER MOD Set 2.1: A 2 SER OG : rot 25:sc= -0.284 USER MOD Set 2.2: A 21 MET CE :methyl -164:sc= -0.338 (180deg=0) USER MOD Set 3.1: A 14 CYS SG : rot -27:sc= -28.9! USER MOD Set 3.2: A 31 CYS SG : rot -75:sc= -29! USER MOD Single : A 1 ASN : amide:sc= -0.0144 X(o=-0.014,f=-0.094) USER MOD Single : A 1 ASN N :NH3+ -121:sc= 0.0415 (180deg=-0.00958) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -127:sc= 0.876 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -14.5! C(o=-15!,f=-12!) USER MOD Single : A 25 SER OG : rot -73:sc= 0.788 USER MOD Single : A 28 SER OG : rot 160:sc= -0.527 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 65:sc= -0.0791! USER MOD Single : A 32 ASN : amide:sc= -3.6! C(o=-3.6!,f=-19!) USER MOD Single : A 37 TYR OH : rot 150:sc= -0.174 USER MOD Single : A 38 SER OG : rot 180:sc= 0.345 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.206 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -2.536 16.219 2.199 1.00 0.00 N ATOM 2 CA ASN A 1 -3.788 15.684 2.707 1.00 0.00 C ATOM 3 C ASN A 1 -4.069 14.336 2.039 1.00 0.00 C ATOM 4 O ASN A 1 -3.703 14.123 0.884 1.00 0.00 O ATOM 5 CB ASN A 1 -4.956 16.621 2.389 1.00 0.00 C ATOM 6 CG ASN A 1 -4.799 17.958 3.118 1.00 0.00 C ATOM 7 OD1 ASN A 1 -4.096 18.854 2.679 1.00 0.00 O ATOM 8 ND2 ASN A 1 -5.491 18.042 4.249 1.00 0.00 N ATOM 0 H1 ASN A 1 -1.874 16.361 2.988 1.00 0.00 H new ATOM 0 H2 ASN A 1 -2.124 15.550 1.517 1.00 0.00 H new ATOM 0 H3 ASN A 1 -2.713 17.129 1.728 1.00 0.00 H new ATOM 0 HA ASN A 1 -3.695 15.576 3.788 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -5.007 16.793 1.314 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -5.895 16.151 2.682 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -5.453 18.895 4.808 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -6.060 17.254 4.559 1.00 0.00 H new ATOM 9 N SER A 2 -4.717 13.461 2.795 1.00 0.00 N ATOM 10 CA SER A 2 -5.052 12.140 2.290 1.00 0.00 C ATOM 11 C SER A 2 -6.540 12.073 1.946 1.00 0.00 C ATOM 12 O SER A 2 -7.384 12.507 2.731 1.00 0.00 O ATOM 13 CB SER A 2 -4.694 11.056 3.310 1.00 0.00 C ATOM 14 OG SER A 2 -4.902 9.745 2.788 1.00 0.00 O ATOM 0 H SER A 2 -5.019 13.641 3.753 1.00 0.00 H new ATOM 0 HA SER A 2 -4.469 11.960 1.387 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.651 11.167 3.607 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.297 11.189 4.208 1.00 0.00 H new ATOM 0 HG SER A 2 -4.849 9.770 1.810 1.00 0.00 H new ATOM 15 N TYR A 3 -6.821 11.526 0.773 1.00 0.00 N ATOM 16 CA TYR A 3 -8.194 11.396 0.316 1.00 0.00 C ATOM 17 C TYR A 3 -8.481 9.970 -0.159 1.00 0.00 C ATOM 18 O TYR A 3 -7.672 9.373 -0.869 1.00 0.00 O ATOM 19 CB TYR A 3 -8.335 12.354 -0.870 1.00 0.00 C ATOM 20 CG TYR A 3 -9.662 12.223 -1.620 1.00 0.00 C ATOM 21 CD1 TYR A 3 -10.749 12.984 -1.237 1.00 0.00 C ATOM 22 CD2 TYR A 3 -9.773 11.346 -2.679 1.00 0.00 C ATOM 23 CE1 TYR A 3 -11.998 12.861 -1.943 1.00 0.00 C ATOM 24 CE2 TYR A 3 -11.022 11.224 -3.384 1.00 0.00 C ATOM 25 CZ TYR A 3 -12.073 11.988 -2.982 1.00 0.00 C ATOM 26 OH TYR A 3 -13.253 11.873 -3.649 1.00 0.00 O ATOM 0 H TYR A 3 -6.120 11.167 0.124 1.00 0.00 H new ATOM 0 HA TYR A 3 -8.891 11.623 1.123 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -8.232 13.378 -0.511 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -7.516 12.176 -1.567 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -10.662 13.671 -0.408 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -8.923 10.751 -2.979 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -12.856 13.449 -1.653 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -11.122 10.541 -4.214 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.160 11.213 -4.368 1.00 0.00 H new ATOM 27 N PRO A 4 -9.667 9.452 0.261 1.00 0.00 N ATOM 28 CA PRO A 4 -10.070 8.108 -0.113 1.00 0.00 C ATOM 29 C PRO A 4 -10.528 8.059 -1.571 1.00 0.00 C ATOM 30 O PRO A 4 -11.548 8.647 -1.927 1.00 0.00 O ATOM 31 CB PRO A 4 -11.174 7.741 0.868 1.00 0.00 C ATOM 32 CG PRO A 4 -11.664 9.056 1.452 1.00 0.00 C ATOM 33 CD PRO A 4 -10.650 10.132 1.102 1.00 0.00 C ATOM 0 HA PRO A 4 -9.250 7.392 -0.057 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -11.983 7.211 0.366 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -10.798 7.082 1.650 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -12.644 9.310 1.049 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.776 8.975 2.533 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -11.119 10.961 0.572 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -10.187 10.547 1.997 1.00 0.00 H new ATOM 34 N GLY A 5 -9.750 7.353 -2.379 1.00 0.00 N ATOM 35 CA GLY A 5 -10.062 7.219 -3.792 1.00 0.00 C ATOM 36 C GLY A 5 -9.122 6.221 -4.469 1.00 0.00 C ATOM 37 O GLY A 5 -8.011 5.988 -3.995 1.00 0.00 O ATOM 0 H GLY A 5 -8.904 6.867 -2.082 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -11.094 6.889 -3.910 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.979 8.190 -4.280 1.00 0.00 H new ATOM 38 N CYS A 6 -9.600 5.659 -5.570 1.00 0.00 N ATOM 39 CA CYS A 6 -8.816 4.692 -6.318 1.00 0.00 C ATOM 40 C CYS A 6 -9.636 4.240 -7.528 1.00 0.00 C ATOM 41 O CYS A 6 -10.537 3.413 -7.396 1.00 0.00 O ATOM 42 CB CYS A 6 -8.391 3.511 -5.443 1.00 0.00 C ATOM 43 SG CYS A 6 -6.856 2.671 -5.980 1.00 0.00 S ATOM 0 H CYS A 6 -10.521 5.855 -5.962 1.00 0.00 H new ATOM 0 HA CYS A 6 -7.892 5.157 -6.661 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -8.257 3.864 -4.421 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -9.200 2.781 -5.424 1.00 0.00 H new ATOM 44 N PRO A 7 -9.286 4.817 -8.708 1.00 0.00 N ATOM 45 CA PRO A 7 -9.980 4.483 -9.940 1.00 0.00 C ATOM 46 C PRO A 7 -9.558 3.104 -10.450 1.00 0.00 C ATOM 47 O PRO A 7 -8.785 2.405 -9.795 1.00 0.00 O ATOM 48 CB PRO A 7 -9.631 5.605 -10.905 1.00 0.00 C ATOM 49 CG PRO A 7 -8.392 6.276 -10.334 1.00 0.00 C ATOM 50 CD PRO A 7 -8.224 5.800 -8.900 1.00 0.00 C ATOM 0 HA PRO A 7 -11.060 4.410 -9.808 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -9.438 5.215 -11.904 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -10.454 6.314 -10.993 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.513 6.022 -10.926 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.496 7.361 -10.367 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.241 5.356 -8.743 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.317 6.626 -8.195 1.00 0.00 H new ATOM 51 N SER A 8 -10.084 2.752 -11.614 1.00 0.00 N ATOM 52 CA SER A 8 -9.772 1.469 -12.218 1.00 0.00 C ATOM 53 C SER A 8 -8.527 1.594 -13.098 1.00 0.00 C ATOM 54 O SER A 8 -8.265 0.733 -13.938 1.00 0.00 O ATOM 55 CB SER A 8 -10.951 0.946 -13.040 1.00 0.00 C ATOM 56 OG SER A 8 -11.255 1.797 -14.142 1.00 0.00 O ATOM 0 H SER A 8 -10.724 3.334 -12.155 1.00 0.00 H new ATOM 0 HA SER A 8 -9.575 0.754 -11.419 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.721 -0.054 -13.407 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.828 0.856 -12.399 1.00 0.00 H new ATOM 0 HG SER A 8 -12.012 1.427 -14.642 1.00 0.00 H new ATOM 57 N SER A 9 -7.791 2.673 -12.877 1.00 0.00 N ATOM 58 CA SER A 9 -6.579 2.922 -13.640 1.00 0.00 C ATOM 59 C SER A 9 -5.423 2.101 -13.067 1.00 0.00 C ATOM 60 O SER A 9 -4.641 1.519 -13.815 1.00 0.00 O ATOM 61 CB SER A 9 -6.225 4.411 -13.640 1.00 0.00 C ATOM 62 OG SER A 9 -5.104 4.694 -14.472 1.00 0.00 O ATOM 0 H SER A 9 -8.010 3.385 -12.180 1.00 0.00 H new ATOM 0 HA SER A 9 -6.755 2.618 -14.672 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.085 4.988 -13.982 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.010 4.732 -12.621 1.00 0.00 H new ATOM 0 HG SER A 9 -4.911 5.655 -14.446 1.00 0.00 H new ATOM 63 N TYR A 10 -5.351 2.084 -11.744 1.00 0.00 N ATOM 64 CA TYR A 10 -4.302 1.343 -11.061 1.00 0.00 C ATOM 65 C TYR A 10 -4.827 0.004 -10.540 1.00 0.00 C ATOM 66 O TYR A 10 -4.175 -0.649 -9.728 1.00 0.00 O ATOM 67 CB TYR A 10 -3.880 2.209 -9.874 1.00 0.00 C ATOM 68 CG TYR A 10 -3.921 3.713 -10.152 1.00 0.00 C ATOM 69 CD1 TYR A 10 -2.859 4.326 -10.784 1.00 0.00 C ATOM 70 CD2 TYR A 10 -5.021 4.454 -9.773 1.00 0.00 C ATOM 71 CE1 TYR A 10 -2.899 5.742 -11.048 1.00 0.00 C ATOM 72 CE2 TYR A 10 -5.060 5.869 -10.035 1.00 0.00 C ATOM 73 CZ TYR A 10 -3.997 6.444 -10.660 1.00 0.00 C ATOM 74 OH TYR A 10 -4.033 7.781 -10.908 1.00 0.00 O ATOM 0 H TYR A 10 -6.001 2.571 -11.127 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.476 1.133 -11.740 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.531 1.989 -9.028 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.868 1.933 -9.578 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.998 3.745 -11.081 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.853 3.973 -9.280 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.075 6.235 -11.543 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.914 6.461 -9.742 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.235 8.262 -10.079 1.00 0.00 H new ATOM 75 N ASP A 11 -6.000 -0.369 -11.033 1.00 0.00 N ATOM 76 CA ASP A 11 -6.619 -1.618 -10.627 1.00 0.00 C ATOM 77 C ASP A 11 -6.495 -1.775 -9.110 1.00 0.00 C ATOM 78 O ASP A 11 -6.015 -2.799 -8.626 1.00 0.00 O ATOM 79 CB ASP A 11 -5.926 -2.814 -11.284 1.00 0.00 C ATOM 80 CG ASP A 11 -4.464 -3.013 -10.886 1.00 0.00 C ATOM 81 OD1 ASP A 11 -3.551 -2.424 -11.486 1.00 0.00 O ATOM 82 OD2 ASP A 11 -4.273 -3.823 -9.901 1.00 0.00 O ATOM 0 H ASP A 11 -6.537 0.173 -11.710 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.664 -1.592 -10.935 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.481 -3.718 -11.034 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.979 -2.696 -12.366 1.00 0.00 H new ATOM 83 N GLY A 12 -6.937 -0.746 -8.403 1.00 0.00 N ATOM 84 CA GLY A 12 -6.882 -0.757 -6.950 1.00 0.00 C ATOM 85 C GLY A 12 -5.547 -0.203 -6.449 1.00 0.00 C ATOM 86 O GLY A 12 -5.470 0.337 -5.345 1.00 0.00 O ATOM 0 H GLY A 12 -7.335 0.101 -8.808 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.701 -0.162 -6.547 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.018 -1.775 -6.585 1.00 0.00 H new ATOM 87 N TYR A 13 -4.529 -0.356 -7.283 1.00 0.00 N ATOM 88 CA TYR A 13 -3.200 0.124 -6.936 1.00 0.00 C ATOM 89 C TYR A 13 -2.686 -0.558 -5.668 1.00 0.00 C ATOM 90 O TYR A 13 -1.675 -0.143 -5.102 1.00 0.00 O ATOM 91 CB TYR A 13 -3.348 1.623 -6.672 1.00 0.00 C ATOM 92 CG TYR A 13 -2.259 2.479 -7.318 1.00 0.00 C ATOM 93 CD1 TYR A 13 -0.964 2.004 -7.400 1.00 0.00 C ATOM 94 CD2 TYR A 13 -2.568 3.728 -7.819 1.00 0.00 C ATOM 95 CE1 TYR A 13 0.061 2.810 -8.009 1.00 0.00 C ATOM 96 CE2 TYR A 13 -1.540 4.533 -8.428 1.00 0.00 C ATOM 97 CZ TYR A 13 -0.278 4.035 -8.492 1.00 0.00 C ATOM 98 OH TYR A 13 0.693 4.796 -9.066 1.00 0.00 O ATOM 0 H TYR A 13 -4.596 -0.805 -8.197 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.493 -0.090 -7.737 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.320 1.952 -7.040 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.340 1.794 -5.596 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.721 1.028 -7.007 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.579 4.101 -7.754 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.077 2.450 -8.081 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.768 5.511 -8.825 1.00 0.00 H new ATOM 0 HH TYR A 13 0.308 5.645 -9.367 1.00 0.00 H new ATOM 99 N CYS A 14 -3.402 -1.595 -5.256 1.00 0.00 N ATOM 100 CA CYS A 14 -3.030 -2.338 -4.066 1.00 0.00 C ATOM 101 C CYS A 14 -3.088 -3.831 -4.394 1.00 0.00 C ATOM 102 O CYS A 14 -4.118 -4.333 -4.838 1.00 0.00 O ATOM 103 CB CYS A 14 -3.922 -1.980 -2.875 1.00 0.00 C ATOM 104 SG CYS A 14 -4.467 -0.235 -2.820 1.00 0.00 S ATOM 0 H CYS A 14 -4.239 -1.938 -5.727 1.00 0.00 H new ATOM 0 HA CYS A 14 -2.015 -2.072 -3.770 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.804 -2.621 -2.894 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.383 -2.207 -1.955 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.597 0.511 -3.433 1.00 0.00 H new ATOM 105 N LEU A 15 -1.966 -4.499 -4.161 1.00 0.00 N ATOM 106 CA LEU A 15 -1.875 -5.923 -4.425 1.00 0.00 C ATOM 107 C LEU A 15 -1.491 -6.654 -3.139 1.00 0.00 C ATOM 108 O LEU A 15 -1.251 -6.023 -2.109 1.00 0.00 O ATOM 109 CB LEU A 15 -0.924 -6.192 -5.593 1.00 0.00 C ATOM 110 CG LEU A 15 0.078 -5.080 -5.911 1.00 0.00 C ATOM 111 CD1 LEU A 15 1.274 -5.130 -4.957 1.00 0.00 C ATOM 112 CD2 LEU A 15 0.512 -5.136 -7.377 1.00 0.00 C ATOM 0 H LEU A 15 -1.113 -4.078 -3.792 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.844 -6.314 -4.736 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.368 -7.105 -5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.521 -6.383 -6.485 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.416 -4.121 -5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.971 -4.329 -5.205 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.927 -5.005 -3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.777 -6.092 -5.055 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.224 -4.335 -7.577 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.982 -6.098 -7.581 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.360 -5.015 -8.020 1.00 0.00 H new ATOM 113 N ASN A 16 -1.444 -7.976 -3.236 1.00 0.00 N ATOM 114 CA ASN A 16 -1.093 -8.798 -2.091 1.00 0.00 C ATOM 115 C ASN A 16 -2.227 -8.751 -1.068 1.00 0.00 C ATOM 116 O ASN A 16 -2.759 -9.788 -0.674 1.00 0.00 O ATOM 117 CB ASN A 16 0.178 -8.284 -1.413 1.00 0.00 C ATOM 118 CG ASN A 16 1.377 -9.174 -1.748 1.00 0.00 C ATOM 119 OD1 ASN A 16 1.286 -10.389 -1.803 1.00 0.00 O ATOM 120 ND2 ASN A 16 2.503 -8.502 -1.968 1.00 0.00 N ATOM 0 H ASN A 16 -1.643 -8.497 -4.090 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.926 -9.815 -2.445 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.378 -7.262 -1.735 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.032 -8.255 -0.333 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.360 -9.005 -2.199 1.00 0.00 H new ATOM 0 HD22 ASN A 16 2.510 -7.484 -1.906 1.00 0.00 H new ATOM 121 N GLY A 17 -2.566 -7.536 -0.664 1.00 0.00 N ATOM 122 CA GLY A 17 -3.629 -7.339 0.309 1.00 0.00 C ATOM 123 C GLY A 17 -3.463 -6.006 1.041 1.00 0.00 C ATOM 124 O GLY A 17 -2.945 -5.967 2.157 1.00 0.00 O ATOM 0 H GLY A 17 -2.124 -6.677 -0.992 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.596 -7.364 -0.194 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.623 -8.157 1.030 1.00 0.00 H new ATOM 125 N GLY A 18 -3.909 -4.947 0.385 1.00 0.00 N ATOM 126 CA GLY A 18 -3.817 -3.615 0.960 1.00 0.00 C ATOM 127 C GLY A 18 -4.952 -2.721 0.458 1.00 0.00 C ATOM 128 O GLY A 18 -5.600 -3.034 -0.538 1.00 0.00 O ATOM 0 H GLY A 18 -4.336 -4.983 -0.541 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.855 -3.681 2.047 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.857 -3.169 0.701 1.00 0.00 H new ATOM 129 N VAL A 19 -5.161 -1.625 1.175 1.00 0.00 N ATOM 130 CA VAL A 19 -6.207 -0.683 0.815 1.00 0.00 C ATOM 131 C VAL A 19 -5.617 0.410 -0.080 1.00 0.00 C ATOM 132 O VAL A 19 -4.400 0.561 -0.161 1.00 0.00 O ATOM 133 CB VAL A 19 -6.869 -0.130 2.078 1.00 0.00 C ATOM 134 CG1 VAL A 19 -8.185 0.575 1.742 1.00 0.00 C ATOM 135 CG2 VAL A 19 -7.087 -1.235 3.111 1.00 0.00 C ATOM 0 H VAL A 19 -4.623 -1.369 2.003 1.00 0.00 H new ATOM 0 HA VAL A 19 -6.991 -1.181 0.245 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.196 0.607 2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.636 0.959 2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.991 1.401 1.058 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.867 -0.133 1.271 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.559 -0.815 3.999 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.731 -2.006 2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.127 -1.673 3.383 1.00 0.00 H new ATOM 136 N CYS A 20 -6.510 1.145 -0.727 1.00 0.00 N ATOM 137 CA CYS A 20 -6.093 2.219 -1.612 1.00 0.00 C ATOM 138 C CYS A 20 -6.415 3.551 -0.934 1.00 0.00 C ATOM 139 O CYS A 20 -7.419 3.670 -0.233 1.00 0.00 O ATOM 140 CB CYS A 20 -6.752 2.106 -2.989 1.00 0.00 C ATOM 141 SG CYS A 20 -5.841 2.929 -4.345 1.00 0.00 S ATOM 0 H CYS A 20 -7.520 1.018 -0.656 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.020 2.152 -1.789 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.867 1.051 -3.236 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.754 2.531 -2.933 1.00 0.00 H new ATOM 142 N MET A 21 -5.543 4.522 -1.165 1.00 0.00 N ATOM 143 CA MET A 21 -5.722 5.843 -0.584 1.00 0.00 C ATOM 144 C MET A 21 -5.102 6.922 -1.475 1.00 0.00 C ATOM 145 O MET A 21 -3.976 6.772 -1.947 1.00 0.00 O ATOM 146 CB MET A 21 -5.067 5.884 0.798 1.00 0.00 C ATOM 147 CG MET A 21 -6.038 5.405 1.879 1.00 0.00 C ATOM 148 SD MET A 21 -5.617 6.142 3.449 1.00 0.00 S ATOM 149 CE MET A 21 -6.724 7.542 3.443 1.00 0.00 C ATOM 0 H MET A 21 -4.711 4.421 -1.746 1.00 0.00 H new ATOM 0 HA MET A 21 -6.790 6.040 -0.496 1.00 0.00 H new ATOM 0 HB2 MET A 21 -4.176 5.257 0.801 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.742 6.900 1.020 1.00 0.00 H new ATOM 0 HG2 MET A 21 -7.059 5.671 1.606 1.00 0.00 H new ATOM 0 HG3 MET A 21 -6.001 4.318 1.957 1.00 0.00 H new ATOM 0 HE1 MET A 21 -6.405 8.261 4.198 1.00 0.00 H new ATOM 0 HE2 MET A 21 -6.707 8.015 2.461 1.00 0.00 H new ATOM 0 HE3 MET A 21 -7.737 7.206 3.666 1.00 0.00 H new ATOM 150 N HIS A 22 -5.867 7.985 -1.679 1.00 0.00 N ATOM 151 CA HIS A 22 -5.407 9.089 -2.506 1.00 0.00 C ATOM 152 C HIS A 22 -4.556 10.042 -1.662 1.00 0.00 C ATOM 153 O HIS A 22 -4.725 10.118 -0.446 1.00 0.00 O ATOM 154 CB HIS A 22 -6.586 9.787 -3.183 1.00 0.00 C ATOM 155 CG HIS A 22 -6.235 10.456 -4.491 1.00 0.00 C ATOM 156 ND1 HIS A 22 -6.899 11.575 -4.963 1.00 0.00 N ATOM 157 CD2 HIS A 22 -5.284 10.154 -5.419 1.00 0.00 C ATOM 158 CE1 HIS A 22 -6.364 11.922 -6.124 1.00 0.00 C ATOM 159 NE2 HIS A 22 -5.364 11.038 -6.406 1.00 0.00 N ATOM 0 H HIS A 22 -6.801 8.105 -1.287 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.776 8.709 -3.309 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -7.375 9.056 -3.361 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.992 10.535 -2.502 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -4.584 9.334 -5.361 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.666 12.757 -6.739 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -4.775 11.054 -7.238 1.00 0.00 H new ATOM 160 N ILE A 23 -3.664 10.746 -2.342 1.00 0.00 N ATOM 161 CA ILE A 23 -2.789 11.692 -1.671 1.00 0.00 C ATOM 162 C ILE A 23 -3.199 13.117 -2.049 1.00 0.00 C ATOM 163 O ILE A 23 -2.854 14.070 -1.354 1.00 0.00 O ATOM 164 CB ILE A 23 -1.323 11.372 -1.973 1.00 0.00 C ATOM 165 CG1 ILE A 23 -1.158 9.915 -2.406 1.00 0.00 C ATOM 166 CG2 ILE A 23 -0.429 11.722 -0.783 1.00 0.00 C ATOM 167 CD1 ILE A 23 0.271 9.427 -2.156 1.00 0.00 C ATOM 0 H ILE A 23 -3.528 10.680 -3.351 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.894 11.607 -0.589 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.003 11.994 -2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.861 9.287 -1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.400 9.817 -3.464 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.607 11.485 -1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.516 12.786 -0.563 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.740 11.145 0.088 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.361 8.388 -2.473 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.970 10.041 -2.724 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.501 9.504 -1.093 1.00 0.00 H new ATOM 168 N GLU A 24 -3.927 13.216 -3.151 1.00 0.00 N ATOM 169 CA GLU A 24 -4.388 14.509 -3.628 1.00 0.00 C ATOM 170 C GLU A 24 -3.242 15.521 -3.609 1.00 0.00 C ATOM 171 O GLU A 24 -2.101 15.166 -3.320 1.00 0.00 O ATOM 172 CB GLU A 24 -5.575 15.008 -2.801 1.00 0.00 C ATOM 173 CG GLU A 24 -5.172 15.232 -1.343 1.00 0.00 C ATOM 174 CD GLU A 24 -6.242 16.026 -0.593 1.00 0.00 C ATOM 175 OE1 GLU A 24 -7.189 15.434 -0.054 1.00 0.00 O ATOM 176 OE2 GLU A 24 -6.067 17.304 -0.582 1.00 0.00 O ATOM 0 H GLU A 24 -4.209 12.423 -3.727 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.728 14.394 -4.657 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.952 15.939 -3.225 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.387 14.283 -2.850 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.018 14.271 -0.853 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.223 15.766 -1.303 1.00 0.00 H new ATOM 177 N SER A 25 -3.585 16.761 -3.923 1.00 0.00 N ATOM 178 CA SER A 25 -2.598 17.828 -3.945 1.00 0.00 C ATOM 179 C SER A 25 -1.863 17.832 -5.287 1.00 0.00 C ATOM 180 O SER A 25 -1.481 18.889 -5.787 1.00 0.00 O ATOM 181 CB SER A 25 -1.601 17.680 -2.795 1.00 0.00 C ATOM 182 OG SER A 25 -0.365 17.117 -3.226 1.00 0.00 O ATOM 0 H SER A 25 -4.533 17.051 -4.164 1.00 0.00 H new ATOM 0 HA SER A 25 -3.118 18.778 -3.819 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.417 18.657 -2.347 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.035 17.050 -2.019 1.00 0.00 H new ATOM 0 HG SER A 25 -0.486 16.161 -3.406 1.00 0.00 H new ATOM 183 N LEU A 26 -1.686 16.637 -5.831 1.00 0.00 N ATOM 184 CA LEU A 26 -1.002 16.490 -7.107 1.00 0.00 C ATOM 185 C LEU A 26 -1.625 15.328 -7.883 1.00 0.00 C ATOM 186 O LEU A 26 -1.063 14.869 -8.875 1.00 0.00 O ATOM 187 CB LEU A 26 0.505 16.348 -6.893 1.00 0.00 C ATOM 188 CG LEU A 26 1.366 17.517 -7.377 1.00 0.00 C ATOM 189 CD1 LEU A 26 2.727 17.525 -6.680 1.00 0.00 C ATOM 190 CD2 LEU A 26 1.503 17.503 -8.902 1.00 0.00 C ATOM 0 H LEU A 26 -2.003 15.762 -5.413 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.131 17.386 -7.714 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.688 16.204 -5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.840 15.443 -7.399 1.00 0.00 H new ATOM 0 HG LEU A 26 0.862 18.445 -7.106 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.317 18.366 -7.044 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.584 17.620 -5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.251 16.594 -6.895 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.119 18.344 -9.220 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.971 16.570 -9.217 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.516 17.585 -9.357 1.00 0.00 H new ATOM 191 N ASP A 27 -2.777 14.887 -7.401 1.00 0.00 N ATOM 192 CA ASP A 27 -3.483 13.788 -8.038 1.00 0.00 C ATOM 193 C ASP A 27 -2.653 12.508 -7.903 1.00 0.00 C ATOM 194 O ASP A 27 -2.609 11.694 -8.823 1.00 0.00 O ATOM 195 CB ASP A 27 -3.695 14.058 -9.527 1.00 0.00 C ATOM 196 CG ASP A 27 -5.077 13.679 -10.064 1.00 0.00 C ATOM 197 OD1 ASP A 27 -6.075 14.370 -9.806 1.00 0.00 O ATOM 198 OD2 ASP A 27 -5.108 12.610 -10.783 1.00 0.00 O ATOM 0 H ASP A 27 -3.240 15.271 -6.577 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.452 13.682 -7.550 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.527 15.118 -9.716 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.940 13.510 -10.091 1.00 0.00 H new ATOM 199 N SER A 28 -2.015 12.375 -6.750 1.00 0.00 N ATOM 200 CA SER A 28 -1.189 11.209 -6.483 1.00 0.00 C ATOM 201 C SER A 28 -1.999 10.155 -5.726 1.00 0.00 C ATOM 202 O SER A 28 -2.826 10.492 -4.881 1.00 0.00 O ATOM 203 CB SER A 28 0.061 11.590 -5.689 1.00 0.00 C ATOM 204 OG SER A 28 0.605 10.477 -4.984 1.00 0.00 O ATOM 0 H SER A 28 -2.053 13.054 -5.990 1.00 0.00 H new ATOM 0 HA SER A 28 -0.867 10.793 -7.437 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.813 11.992 -6.368 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.186 12.382 -4.982 1.00 0.00 H new ATOM 0 HG SER A 28 1.542 10.657 -4.761 1.00 0.00 H new ATOM 205 N TYR A 29 -1.733 8.900 -6.058 1.00 0.00 N ATOM 206 CA TYR A 29 -2.427 7.794 -5.419 1.00 0.00 C ATOM 207 C TYR A 29 -1.440 6.850 -4.732 1.00 0.00 C ATOM 208 O TYR A 29 -0.349 6.605 -5.247 1.00 0.00 O ATOM 209 CB TYR A 29 -3.138 7.039 -6.543 1.00 0.00 C ATOM 210 CG TYR A 29 -4.506 7.617 -6.915 1.00 0.00 C ATOM 211 CD1 TYR A 29 -4.597 8.608 -7.871 1.00 0.00 C ATOM 212 CD2 TYR A 29 -5.646 7.148 -6.297 1.00 0.00 C ATOM 213 CE1 TYR A 29 -5.884 9.155 -8.221 1.00 0.00 C ATOM 214 CE2 TYR A 29 -6.932 7.694 -6.646 1.00 0.00 C ATOM 215 CZ TYR A 29 -6.987 8.670 -7.592 1.00 0.00 C ATOM 216 OH TYR A 29 -8.201 9.185 -7.921 1.00 0.00 O ATOM 0 H TYR A 29 -1.047 8.624 -6.761 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.117 8.161 -4.659 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.501 7.042 -7.428 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.264 5.998 -6.244 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.704 8.974 -8.357 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -5.574 6.371 -5.551 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.970 9.932 -8.966 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.832 7.337 -6.168 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.898 8.743 -7.393 1.00 0.00 H new ATOM 217 N THR A 30 -1.857 6.346 -3.580 1.00 0.00 N ATOM 218 CA THR A 30 -1.022 5.434 -2.817 1.00 0.00 C ATOM 219 C THR A 30 -1.819 4.192 -2.412 1.00 0.00 C ATOM 220 O THR A 30 -2.985 4.054 -2.777 1.00 0.00 O ATOM 221 CB THR A 30 -0.449 6.202 -1.626 1.00 0.00 C ATOM 222 OG1 THR A 30 0.286 5.220 -0.900 1.00 0.00 O ATOM 223 CG2 THR A 30 -1.531 6.659 -0.646 1.00 0.00 C ATOM 0 H THR A 30 -2.762 6.552 -3.157 1.00 0.00 H new ATOM 0 HA THR A 30 -0.189 5.066 -3.416 1.00 0.00 H new ATOM 0 HB THR A 30 0.102 7.070 -1.987 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.038 4.905 -1.444 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.069 7.199 0.180 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.234 7.315 -1.160 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.062 5.789 -0.259 1.00 0.00 H new ATOM 224 N CYS A 31 -1.158 3.322 -1.661 1.00 0.00 N ATOM 225 CA CYS A 31 -1.792 2.097 -1.203 1.00 0.00 C ATOM 226 C CYS A 31 -1.069 1.627 0.060 1.00 0.00 C ATOM 227 O CYS A 31 0.137 1.825 0.201 1.00 0.00 O ATOM 228 CB CYS A 31 -1.797 1.021 -2.291 1.00 0.00 C ATOM 229 SG CYS A 31 -3.409 0.778 -3.122 1.00 0.00 S ATOM 0 H CYS A 31 -0.191 3.441 -1.359 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.839 2.291 -0.971 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.052 1.281 -3.043 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.486 0.075 -1.848 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.212 0.131 -2.331 1.00 0.00 H new ATOM 230 N ASN A 32 -1.837 1.012 0.948 1.00 0.00 N ATOM 231 CA ASN A 32 -1.284 0.512 2.196 1.00 0.00 C ATOM 232 C ASN A 32 -1.478 -1.004 2.262 1.00 0.00 C ATOM 233 O ASN A 32 -2.609 -1.490 2.253 1.00 0.00 O ATOM 234 CB ASN A 32 -1.995 1.133 3.401 1.00 0.00 C ATOM 235 CG ASN A 32 -3.515 1.035 3.251 1.00 0.00 C ATOM 236 OD1 ASN A 32 -4.048 0.832 2.172 1.00 0.00 O ATOM 237 ND2 ASN A 32 -4.180 1.190 4.392 1.00 0.00 N ATOM 0 H ASN A 32 -2.837 0.849 0.828 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.227 0.775 2.227 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.683 0.625 4.314 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.702 2.178 3.502 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -5.199 1.142 4.399 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.671 1.357 5.260 1.00 0.00 H new ATOM 238 N CYS A 33 -0.359 -1.709 2.329 1.00 0.00 N ATOM 239 CA CYS A 33 -0.391 -3.160 2.398 1.00 0.00 C ATOM 240 C CYS A 33 -0.595 -3.568 3.858 1.00 0.00 C ATOM 241 O CYS A 33 -1.691 -3.426 4.399 1.00 0.00 O ATOM 242 CB CYS A 33 0.874 -3.782 1.803 1.00 0.00 C ATOM 243 SG CYS A 33 0.713 -5.542 1.327 1.00 0.00 S ATOM 0 H CYS A 33 0.576 -1.302 2.337 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.219 -3.537 1.798 1.00 0.00 H new ATOM 0 HB2 CYS A 33 1.165 -3.208 0.924 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.683 -3.689 2.527 1.00 0.00 H new ATOM 0 HG CYS A 33 1.462 -5.782 0.292 1.00 0.00 H new ATOM 244 N VAL A 34 0.477 -4.067 4.455 1.00 0.00 N ATOM 245 CA VAL A 34 0.429 -4.496 5.843 1.00 0.00 C ATOM 246 C VAL A 34 1.819 -4.347 6.466 1.00 0.00 C ATOM 247 O VAL A 34 2.713 -3.753 5.866 1.00 0.00 O ATOM 248 CB VAL A 34 -0.116 -5.923 5.932 1.00 0.00 C ATOM 249 CG1 VAL A 34 -1.633 -5.916 6.134 1.00 0.00 C ATOM 250 CG2 VAL A 34 0.267 -6.734 4.692 1.00 0.00 C ATOM 0 H VAL A 34 1.384 -4.184 4.003 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.253 -3.866 6.414 1.00 0.00 H new ATOM 0 HB VAL A 34 0.337 -6.403 6.799 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.997 -6.942 6.194 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.875 -5.390 7.058 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.110 -5.411 5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.132 -7.744 4.780 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.146 -6.257 3.803 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.353 -6.779 4.608 1.00 0.00 H new ATOM 251 N ILE A 35 1.958 -4.900 7.663 1.00 0.00 N ATOM 252 CA ILE A 35 3.222 -4.837 8.375 1.00 0.00 C ATOM 253 C ILE A 35 4.347 -5.316 7.451 1.00 0.00 C ATOM 254 O ILE A 35 4.184 -6.299 6.729 1.00 0.00 O ATOM 255 CB ILE A 35 3.137 -5.612 9.689 1.00 0.00 C ATOM 256 CG1 ILE A 35 1.796 -5.365 10.385 1.00 0.00 C ATOM 257 CG2 ILE A 35 4.322 -5.282 10.598 1.00 0.00 C ATOM 258 CD1 ILE A 35 1.908 -5.610 11.891 1.00 0.00 C ATOM 0 H ILE A 35 1.215 -5.394 8.157 1.00 0.00 H new ATOM 0 HA ILE A 35 3.451 -3.808 8.653 1.00 0.00 H new ATOM 0 HB ILE A 35 3.192 -6.677 9.462 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.470 -4.341 10.203 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.036 -6.021 9.961 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.237 -5.847 11.526 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.252 -5.548 10.095 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.323 -4.215 10.821 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.942 -5.428 12.362 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.210 -6.642 12.070 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.652 -4.935 12.315 1.00 0.00 H new ATOM 259 N GLY A 36 5.459 -4.599 7.505 1.00 0.00 N ATOM 260 CA GLY A 36 6.607 -4.938 6.683 1.00 0.00 C ATOM 261 C GLY A 36 6.191 -5.178 5.230 1.00 0.00 C ATOM 262 O GLY A 36 6.786 -6.003 4.538 1.00 0.00 O ATOM 0 H GLY A 36 5.589 -3.785 8.105 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.340 -4.133 6.727 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.091 -5.831 7.079 1.00 0.00 H new ATOM 263 N TYR A 37 5.173 -4.443 4.811 1.00 0.00 N ATOM 264 CA TYR A 37 4.670 -4.565 3.454 1.00 0.00 C ATOM 265 C TYR A 37 4.100 -3.234 2.958 1.00 0.00 C ATOM 266 O TYR A 37 3.180 -2.685 3.562 1.00 0.00 O ATOM 267 CB TYR A 37 3.543 -5.598 3.514 1.00 0.00 C ATOM 268 CG TYR A 37 3.989 -7.026 3.193 1.00 0.00 C ATOM 269 CD1 TYR A 37 4.770 -7.724 4.093 1.00 0.00 C ATOM 270 CD2 TYR A 37 3.614 -7.616 2.004 1.00 0.00 C ATOM 271 CE1 TYR A 37 5.192 -9.067 3.791 1.00 0.00 C ATOM 272 CE2 TYR A 37 4.035 -8.960 1.701 1.00 0.00 C ATOM 273 CZ TYR A 37 4.804 -9.618 2.611 1.00 0.00 C ATOM 274 OH TYR A 37 5.201 -10.888 2.326 1.00 0.00 O ATOM 0 H TYR A 37 4.682 -3.760 5.388 1.00 0.00 H new ATOM 0 HA TYR A 37 5.470 -4.857 2.773 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.102 -5.582 4.511 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.760 -5.307 2.814 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.064 -7.262 5.024 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.004 -7.070 1.300 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.803 -9.624 4.486 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.747 -9.434 0.774 1.00 0.00 H new ATOM 0 HH TYR A 37 4.528 -11.322 1.761 1.00 0.00 H new ATOM 275 N SER A 38 4.670 -2.753 1.862 1.00 0.00 N ATOM 276 CA SER A 38 4.229 -1.499 1.278 1.00 0.00 C ATOM 277 C SER A 38 5.014 -1.214 -0.004 1.00 0.00 C ATOM 278 O SER A 38 5.290 -2.124 -0.782 1.00 0.00 O ATOM 279 CB SER A 38 4.394 -0.344 2.268 1.00 0.00 C ATOM 280 OG SER A 38 3.742 0.841 1.819 1.00 0.00 O ATOM 0 H SER A 38 5.434 -3.210 1.364 1.00 0.00 H new ATOM 0 HA SER A 38 3.170 -1.588 1.036 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.989 -0.636 3.237 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.455 -0.141 2.415 1.00 0.00 H new ATOM 0 HG SER A 38 3.869 1.554 2.479 1.00 0.00 H new ATOM 281 N GLY A 39 5.353 0.055 -0.183 1.00 0.00 N ATOM 282 CA GLY A 39 6.102 0.470 -1.356 1.00 0.00 C ATOM 283 C GLY A 39 5.174 1.078 -2.412 1.00 0.00 C ATOM 284 O GLY A 39 5.320 0.804 -3.602 1.00 0.00 O ATOM 0 H GLY A 39 5.122 0.808 0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.860 1.199 -1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.628 -0.386 -1.778 1.00 0.00 H new ATOM 285 N ASP A 40 4.240 1.887 -1.937 1.00 0.00 N ATOM 286 CA ASP A 40 3.288 2.534 -2.823 1.00 0.00 C ATOM 287 C ASP A 40 2.082 1.616 -3.028 1.00 0.00 C ATOM 288 O ASP A 40 0.952 2.085 -3.146 1.00 0.00 O ATOM 289 CB ASP A 40 3.911 2.809 -4.193 1.00 0.00 C ATOM 290 CG ASP A 40 3.278 3.961 -4.973 1.00 0.00 C ATOM 291 OD1 ASP A 40 3.226 5.106 -4.494 1.00 0.00 O ATOM 292 OD2 ASP A 40 2.816 3.646 -6.136 1.00 0.00 O ATOM 0 H ASP A 40 4.122 2.110 -0.949 1.00 0.00 H new ATOM 0 HA ASP A 40 2.989 3.477 -2.366 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.971 3.022 -4.057 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.843 1.903 -4.795 1.00 0.00 H new ATOM 293 N ARG A 41 2.365 0.322 -3.065 1.00 0.00 N ATOM 294 CA ARG A 41 1.316 -0.667 -3.253 1.00 0.00 C ATOM 295 C ARG A 41 1.397 -1.740 -2.166 1.00 0.00 C ATOM 296 O ARG A 41 0.723 -1.641 -1.140 1.00 0.00 O ATOM 297 CB ARG A 41 1.429 -1.333 -4.626 1.00 0.00 C ATOM 298 CG ARG A 41 1.245 -0.311 -5.749 1.00 0.00 C ATOM 299 CD ARG A 41 1.000 -1.006 -7.090 1.00 0.00 C ATOM 300 NE ARG A 41 1.255 -0.064 -8.203 1.00 0.00 N ATOM 301 CZ ARG A 41 2.385 -0.051 -8.939 1.00 0.00 C ATOM 302 NH1 ARG A 41 2.511 -0.857 -10.015 1.00 0.00 N ATOM 303 NH2 ARG A 41 3.366 0.762 -8.594 1.00 0.00 N ATOM 0 H ARG A 41 3.304 -0.064 -2.968 1.00 0.00 H new ATOM 0 HA ARG A 41 0.358 -0.151 -3.188 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.403 -1.813 -4.722 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.677 -2.117 -4.717 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.405 0.343 -5.516 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.131 0.320 -5.819 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.651 -1.876 -7.182 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.026 -1.369 -7.138 1.00 0.00 H new ATOM 0 HE ARG A 41 0.531 0.618 -8.427 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.748 -1.482 -10.276 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.369 -0.841 -10.566 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.263 1.369 -7.781 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.227 0.783 -9.141 1.00 0.00 H new ATOM 304 N CYS A 42 2.227 -2.740 -2.425 1.00 0.00 N ATOM 305 CA CYS A 42 2.405 -3.830 -1.481 1.00 0.00 C ATOM 306 C CYS A 42 3.358 -4.853 -2.102 1.00 0.00 C ATOM 307 O CYS A 42 3.200 -6.056 -1.898 1.00 0.00 O ATOM 308 CB CYS A 42 1.067 -4.461 -1.088 1.00 0.00 C ATOM 309 SG CYS A 42 1.178 -5.752 0.206 1.00 0.00 S ATOM 0 H CYS A 42 2.784 -2.818 -3.276 1.00 0.00 H new ATOM 0 HA CYS A 42 2.837 -3.447 -0.557 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.398 -3.674 -0.740 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.611 -4.896 -1.977 1.00 0.00 H new ATOM 0 HG CYS A 42 0.338 -5.483 1.161 1.00 0.00 H new ATOM 310 N GLN A 43 4.324 -4.338 -2.846 1.00 0.00 N ATOM 311 CA GLN A 43 5.302 -5.192 -3.499 1.00 0.00 C ATOM 312 C GLN A 43 6.584 -5.264 -2.665 1.00 0.00 C ATOM 313 O GLN A 43 7.359 -6.209 -2.792 1.00 0.00 O ATOM 314 CB GLN A 43 5.598 -4.702 -4.918 1.00 0.00 C ATOM 315 CG GLN A 43 6.779 -3.730 -4.928 1.00 0.00 C ATOM 316 CD GLN A 43 6.571 -2.627 -5.968 1.00 0.00 C ATOM 317 OE1 GLN A 43 6.814 -2.800 -7.151 1.00 0.00 O ATOM 318 NE2 GLN A 43 6.110 -1.486 -5.462 1.00 0.00 N ATOM 0 H GLN A 43 4.451 -3.340 -3.012 1.00 0.00 H new ATOM 0 HA GLN A 43 4.885 -6.196 -3.577 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.818 -5.554 -5.562 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.715 -4.211 -5.329 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.898 -3.286 -3.940 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.699 -4.272 -5.146 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.928 -1.409 -4.461 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.939 -0.689 -6.075 1.00 0.00 H new ATOM 319 N THR A 44 6.766 -4.249 -1.832 1.00 0.00 N ATOM 320 CA THR A 44 7.941 -4.185 -0.977 1.00 0.00 C ATOM 321 C THR A 44 7.618 -4.735 0.413 1.00 0.00 C ATOM 322 O THR A 44 6.989 -4.055 1.222 1.00 0.00 O ATOM 323 CB THR A 44 8.435 -2.738 -0.961 1.00 0.00 C ATOM 324 OG1 THR A 44 8.450 -2.360 -2.334 1.00 0.00 O ATOM 325 CG2 THR A 44 9.896 -2.622 -0.524 1.00 0.00 C ATOM 0 H THR A 44 6.121 -3.465 -1.731 1.00 0.00 H new ATOM 0 HA THR A 44 8.746 -4.812 -1.360 1.00 0.00 H new ATOM 0 HB THR A 44 7.809 -2.149 -0.290 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.757 -1.433 -2.415 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.196 -1.574 -0.530 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.008 -3.025 0.482 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.527 -3.184 -1.212 1.00 0.00 H new ATOM 326 N ARG A 45 8.064 -5.960 0.650 1.00 0.00 N ATOM 327 CA ARG A 45 7.831 -6.607 1.929 1.00 0.00 C ATOM 328 C ARG A 45 9.102 -6.573 2.782 1.00 0.00 C ATOM 329 O ARG A 45 10.056 -7.298 2.508 1.00 0.00 O ATOM 330 CB ARG A 45 7.393 -8.060 1.739 1.00 0.00 C ATOM 331 CG ARG A 45 7.890 -8.614 0.402 1.00 0.00 C ATOM 332 CD ARG A 45 7.728 -10.133 0.342 1.00 0.00 C ATOM 333 NE ARG A 45 6.371 -10.479 -0.135 1.00 0.00 N ATOM 334 CZ ARG A 45 6.103 -10.982 -1.360 1.00 0.00 C ATOM 335 NH1 ARG A 45 5.889 -10.158 -2.406 1.00 0.00 N ATOM 336 NH2 ARG A 45 6.056 -12.293 -1.517 1.00 0.00 N ATOM 0 H ARG A 45 8.586 -6.521 -0.023 1.00 0.00 H new ATOM 0 HA ARG A 45 7.035 -6.062 2.435 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.780 -8.670 2.555 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.306 -8.124 1.781 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.335 -8.153 -0.415 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.939 -8.351 0.263 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.477 -10.561 -0.325 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.896 -10.564 1.329 1.00 0.00 H new ATOM 0 HE ARG A 45 5.588 -10.328 0.501 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.929 -9.147 -2.275 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.687 -10.546 -3.328 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.221 -12.908 -0.720 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.855 -12.690 -2.435 1.00 0.00 H new ATOM 337 N ASP A 46 9.073 -5.721 3.797 1.00 0.00 N ATOM 338 CA ASP A 46 10.210 -5.582 4.689 1.00 0.00 C ATOM 339 C ASP A 46 10.800 -6.964 4.976 1.00 0.00 C ATOM 340 O ASP A 46 11.660 -7.442 4.238 1.00 0.00 O ATOM 341 CB ASP A 46 9.789 -4.962 6.023 1.00 0.00 C ATOM 342 CG ASP A 46 10.859 -4.997 7.117 1.00 0.00 C ATOM 343 OD1 ASP A 46 11.933 -4.394 6.981 1.00 0.00 O ATOM 344 OD2 ASP A 46 10.547 -5.690 8.161 1.00 0.00 O ATOM 0 H ASP A 46 8.279 -5.120 4.021 1.00 0.00 H new ATOM 0 HA ASP A 46 10.942 -4.936 4.205 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.501 -3.925 5.850 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.903 -5.483 6.385 1.00 0.00 H new ATOM 345 N LEU A 47 10.313 -7.570 6.049 1.00 0.00 N ATOM 346 CA LEU A 47 10.783 -8.887 6.443 1.00 0.00 C ATOM 347 C LEU A 47 9.580 -9.809 6.654 1.00 0.00 C ATOM 348 O LEU A 47 9.554 -10.928 6.143 1.00 0.00 O ATOM 349 CB LEU A 47 11.701 -8.788 7.661 1.00 0.00 C ATOM 350 CG LEU A 47 12.774 -7.698 7.604 1.00 0.00 C ATOM 351 CD1 LEU A 47 13.145 -7.219 9.009 1.00 0.00 C ATOM 352 CD2 LEU A 47 13.999 -8.174 6.820 1.00 0.00 C ATOM 0 H LEU A 47 9.597 -7.173 6.658 1.00 0.00 H new ATOM 0 HA LEU A 47 11.390 -9.327 5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.084 -8.618 8.543 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.195 -9.750 7.798 1.00 0.00 H new ATOM 0 HG LEU A 47 12.362 -6.842 7.070 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.909 -6.445 8.940 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.261 -6.813 9.500 1.00 0.00 H new ATOM 0 HD13 LEU A 47 13.530 -8.057 9.589 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.746 -7.380 6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.421 -9.055 7.304 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.704 -8.427 5.802 1.00 0.00 H new ATOM 353 N ARG A 48 8.613 -9.306 7.409 1.00 0.00 N ATOM 354 CA ARG A 48 7.411 -10.070 7.693 1.00 0.00 C ATOM 355 C ARG A 48 7.639 -10.988 8.896 1.00 0.00 C ATOM 356 O ARG A 48 7.367 -12.185 8.827 1.00 0.00 O ATOM 357 CB ARG A 48 6.997 -10.915 6.487 1.00 0.00 C ATOM 358 CG ARG A 48 5.489 -11.177 6.494 1.00 0.00 C ATOM 359 CD ARG A 48 5.103 -12.178 5.403 1.00 0.00 C ATOM 360 NE ARG A 48 3.632 -12.341 5.364 1.00 0.00 N ATOM 361 CZ ARG A 48 2.937 -12.677 4.256 1.00 0.00 C ATOM 362 NH1 ARG A 48 2.740 -13.973 3.939 1.00 0.00 N ATOM 363 NH2 ARG A 48 2.452 -11.717 3.490 1.00 0.00 N ATOM 0 H ARG A 48 8.639 -8.378 7.832 1.00 0.00 H new ATOM 0 HA ARG A 48 6.613 -9.362 7.917 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.277 -10.403 5.566 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.535 -11.863 6.501 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.187 -11.561 7.468 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.953 -10.241 6.340 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.465 -11.831 4.435 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.579 -13.140 5.595 1.00 0.00 H new ATOM 0 HE ARG A 48 3.111 -12.190 6.228 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.117 -14.708 4.538 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.214 -14.219 3.100 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.605 -10.740 3.739 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.925 -11.953 2.649 1.00 0.00 H new ATOM 364 N TRP A 49 8.135 -10.391 9.970 1.00 0.00 N ATOM 365 CA TRP A 49 8.402 -11.140 11.186 1.00 0.00 C ATOM 366 C TRP A 49 7.072 -11.695 11.700 1.00 0.00 C ATOM 367 O TRP A 49 7.054 -12.586 12.548 1.00 0.00 O ATOM 368 CB TRP A 49 9.126 -10.273 12.216 1.00 0.00 C ATOM 369 CG TRP A 49 8.738 -8.793 12.167 1.00 0.00 C ATOM 370 CD1 TRP A 49 7.512 -8.266 12.062 1.00 0.00 C ATOM 371 CD2 TRP A 49 9.638 -7.667 12.225 1.00 0.00 C ATOM 372 NE1 TRP A 49 7.554 -6.885 12.049 1.00 0.00 N ATOM 373 CE2 TRP A 49 8.889 -6.511 12.152 1.00 0.00 C ATOM 374 CE3 TRP A 49 11.039 -7.625 12.337 1.00 0.00 C ATOM 375 CZ2 TRP A 49 9.451 -5.229 12.181 1.00 0.00 C ATOM 376 CZ3 TRP A 49 11.585 -6.337 12.366 1.00 0.00 C ATOM 377 CH2 TRP A 49 10.845 -5.162 12.292 1.00 0.00 C ATOM 0 H TRP A 49 8.359 -9.397 10.023 1.00 0.00 H new ATOM 0 HA TRP A 49 9.074 -11.975 10.986 1.00 0.00 H new ATOM 0 HB2 TRP A 49 8.916 -10.660 13.213 1.00 0.00 H new ATOM 0 HB3 TRP A 49 10.201 -10.362 12.059 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.604 -8.847 11.996 1.00 0.00 H new ATOM 0 HE1 TRP A 49 6.754 -6.256 11.977 1.00 0.00 H new ATOM 0 HE3 TRP A 49 11.646 -8.516 12.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 8.842 -4.339 12.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 12.658 -6.249 12.452 1.00 0.00 H new ATOM 0 HH2 TRP A 49 11.342 -4.204 12.320 1.00 0.00 H new ATOM 378 N TRP A 50 5.992 -11.146 11.166 1.00 0.00 N ATOM 379 CA TRP A 50 4.661 -11.575 11.561 1.00 0.00 C ATOM 380 C TRP A 50 4.323 -12.848 10.780 1.00 0.00 C ATOM 381 O TRP A 50 3.635 -12.790 9.761 1.00 0.00 O ATOM 382 CB TRP A 50 3.640 -10.456 11.351 1.00 0.00 C ATOM 383 CG TRP A 50 3.820 -9.685 10.042 1.00 0.00 C ATOM 384 CD1 TRP A 50 4.683 -8.697 9.780 1.00 0.00 C ATOM 385 CD2 TRP A 50 3.080 -9.882 8.820 1.00 0.00 C ATOM 386 NE1 TRP A 50 4.556 -8.242 8.483 1.00 0.00 N ATOM 387 CE2 TRP A 50 3.550 -8.987 7.880 1.00 0.00 C ATOM 388 CE3 TRP A 50 2.047 -10.787 8.516 1.00 0.00 C ATOM 389 CZ2 TRP A 50 3.045 -8.909 6.576 1.00 0.00 C ATOM 390 CZ3 TRP A 50 1.555 -10.697 7.209 1.00 0.00 C ATOM 391 CH2 TRP A 50 2.017 -9.801 6.252 1.00 0.00 C ATOM 0 H TRP A 50 6.011 -10.407 10.463 1.00 0.00 H new ATOM 0 HA TRP A 50 4.629 -11.802 12.627 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.638 -10.884 11.373 1.00 0.00 H new ATOM 0 HB3 TRP A 50 3.707 -9.757 12.184 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.391 -8.304 10.495 1.00 0.00 H new ATOM 0 HE1 TRP A 50 5.100 -7.497 8.048 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.664 -11.496 9.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.429 -8.198 5.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 0.761 -11.371 6.924 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.584 -9.793 5.263 1.00 0.00 H new ATOM 392 N GLU A 51 4.822 -13.965 11.287 1.00 0.00 N ATOM 393 CA GLU A 51 4.581 -15.249 10.650 1.00 0.00 C ATOM 394 C GLU A 51 4.352 -16.331 11.707 1.00 0.00 C ATOM 395 O GLU A 51 3.328 -17.012 11.690 1.00 0.00 O ATOM 396 CB GLU A 51 5.737 -15.624 9.721 1.00 0.00 C ATOM 397 CG GLU A 51 5.697 -14.797 8.434 1.00 0.00 C ATOM 398 CD GLU A 51 4.879 -15.506 7.352 1.00 0.00 C ATOM 399 OE1 GLU A 51 5.431 -16.313 6.588 1.00 0.00 O ATOM 400 OE2 GLU A 51 3.630 -15.194 7.323 1.00 0.00 O ATOM 0 H GLU A 51 5.392 -14.008 12.132 1.00 0.00 H new ATOM 0 HA GLU A 51 3.681 -15.169 10.041 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.686 -15.462 10.232 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.683 -16.685 9.477 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.264 -13.818 8.640 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.712 -14.627 8.075 1.00 0.00 H new ATOM 401 N LEU A 52 5.323 -16.454 12.601 1.00 0.00 N ATOM 402 CA LEU A 52 5.240 -17.443 13.663 1.00 0.00 C ATOM 403 C LEU A 52 5.258 -16.732 15.018 1.00 0.00 C ATOM 404 O LEU A 52 5.929 -15.713 15.178 1.00 0.00 O ATOM 405 CB LEU A 52 6.341 -18.494 13.504 1.00 0.00 C ATOM 406 CG LEU A 52 6.174 -19.468 12.336 1.00 0.00 C ATOM 407 CD1 LEU A 52 7.526 -19.791 11.696 1.00 0.00 C ATOM 408 CD2 LEU A 52 5.433 -20.731 12.779 1.00 0.00 C ATOM 0 H LEU A 52 6.170 -15.886 12.612 1.00 0.00 H new ATOM 0 HA LEU A 52 4.299 -17.990 13.602 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.294 -17.978 13.388 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.401 -19.071 14.427 1.00 0.00 H new ATOM 0 HG LEU A 52 5.563 -18.987 11.573 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.380 -20.485 10.868 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.981 -18.873 11.324 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.181 -20.245 12.439 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.327 -21.407 11.931 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.998 -21.226 13.569 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.445 -20.461 13.153 1.00 0.00 H new ATOM 409 N ARG A 53 4.516 -17.298 15.957 1.00 0.00 N ATOM 410 CA ARG A 53 4.438 -16.730 17.292 1.00 0.00 C ATOM 411 C ARG A 53 4.176 -15.224 17.216 1.00 0.00 C ATOM 412 O ARG A 53 5.108 -14.425 17.291 1.00 0.00 O ATOM 413 CB ARG A 53 5.731 -16.977 18.071 1.00 0.00 C ATOM 414 CG ARG A 53 5.906 -18.464 18.386 1.00 0.00 C ATOM 415 CD ARG A 53 7.188 -18.709 19.181 1.00 0.00 C ATOM 416 NE ARG A 53 7.016 -18.242 20.576 1.00 0.00 N ATOM 417 CZ ARG A 53 6.643 -19.039 21.600 1.00 0.00 C ATOM 418 NH1 ARG A 53 7.567 -19.728 22.304 1.00 0.00 N ATOM 419 NH2 ARG A 53 5.363 -19.133 21.902 1.00 0.00 N ATOM 420 OXT ARG A 53 2.939 -14.892 17.069 1.00 0.00 O ATOM 0 H ARG A 53 3.963 -18.144 15.820 1.00 0.00 H new ATOM 0 HA ARG A 53 3.614 -17.219 17.812 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.583 -16.622 17.491 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.716 -16.404 18.998 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.048 -18.822 18.954 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.935 -19.035 17.458 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.434 -19.771 19.172 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.021 -18.185 18.713 1.00 0.00 H new ATOM 0 HE ARG A 53 7.190 -17.257 20.776 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.555 -19.648 22.064 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.277 -20.328 23.076 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.672 -18.608 21.365 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.063 -19.730 22.673 1.00 0.00 H new TER 421 ARG A 53