USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 396 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 17 THR OG1 : rot 157:sc= -0.434 USER MOD Set 1.2: A 33 ASN : amide:sc= -2.01 K(o=-2.1,f=-5.3!) USER MOD Set 1.3: A 36 ASN : amide:sc= 0.385 K(o=-2.1,f=-2.8) USER MOD Set 2.1: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 31 TYR OH : rot 180:sc= -1.37 USER MOD Set 3.1: A 26 SER OG : rot 37:sc= 0.0727 USER MOD Set 3.2: A 51 SER OG : rot 180:sc= 0.0743 USER MOD Single : A 1 LEU N :NH3+ 147:sc= 0.0202 (180deg=-0.0274) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0304 USER MOD Single : A 9 SER OG : rot -48:sc= 0.276 USER MOD Single : A 11 TYR OH : rot 180:sc= -3.42! USER MOD Single : A 13 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0788) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -3.96! C(o=-4!,f=-8.7!) USER MOD Single : A 30 THR OG1 : rot -31:sc= 0.771 USER MOD Single : A 34 LYS NZ :NH3+ -123:sc= -2.02! (180deg=-3.74!) USER MOD Single : A 39 ASN : amide:sc= -7.77! C(o=-7.8!,f=-14!) USER MOD Single : A 44 SER OG : rot 9:sc= -3.47! USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -38:sc= 0.0254 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= -7.91! C(o=-7.9!,f=-9.3!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 12.052 16.751 3.656 1.00 0.00 N ATOM 2 CA LEU A 1 11.744 15.669 2.679 1.00 0.00 C ATOM 3 C LEU A 1 10.573 14.831 3.197 1.00 0.00 C ATOM 4 O LEU A 1 10.460 14.568 4.377 1.00 0.00 O ATOM 5 CB LEU A 1 12.974 14.775 2.505 1.00 0.00 C ATOM 6 CG LEU A 1 13.593 15.022 1.128 1.00 0.00 C ATOM 7 CD1 LEU A 1 14.226 16.414 1.096 1.00 0.00 C ATOM 8 CD2 LEU A 1 14.668 13.968 0.858 1.00 0.00 C ATOM 0 H1 LEU A 1 13.074 16.945 3.648 1.00 0.00 H new ATOM 0 H2 LEU A 1 11.533 17.613 3.394 1.00 0.00 H new ATOM 0 H3 LEU A 1 11.764 16.450 4.609 1.00 0.00 H new ATOM 0 HA LEU A 1 11.477 16.111 1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 1 13.704 14.986 3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 1 12.692 13.727 2.606 1.00 0.00 H new ATOM 0 HG LEU A 1 12.819 14.957 0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 1 14.667 16.591 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 1 13.461 17.166 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 1 15.001 16.479 1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 1 15.110 14.142 -0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 1 15.442 14.034 1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 1 14.218 12.975 0.882 1.00 0.00 H new ATOM 22 N ALA A 2 9.702 14.411 2.323 1.00 0.00 N ATOM 23 CA ALA A 2 8.540 13.591 2.766 1.00 0.00 C ATOM 24 C ALA A 2 8.206 12.561 1.686 1.00 0.00 C ATOM 25 O ALA A 2 8.552 11.401 1.793 1.00 0.00 O ATOM 26 CB ALA A 2 7.330 14.500 2.994 1.00 0.00 C ATOM 0 H ALA A 2 9.744 14.600 1.322 1.00 0.00 H new ATOM 0 HA ALA A 2 8.789 13.079 3.695 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.480 13.900 3.318 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.568 15.237 3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.079 15.012 2.065 1.00 0.00 H new ATOM 32 N ALA A 3 7.538 12.977 0.645 1.00 0.00 N ATOM 33 CA ALA A 3 7.184 12.024 -0.445 1.00 0.00 C ATOM 34 C ALA A 3 6.392 10.853 0.139 1.00 0.00 C ATOM 35 O ALA A 3 6.916 9.775 0.338 1.00 0.00 O ATOM 36 CB ALA A 3 8.465 11.499 -1.098 1.00 0.00 C ATOM 0 H ALA A 3 7.222 13.936 0.502 1.00 0.00 H new ATOM 0 HA ALA A 3 6.578 12.535 -1.193 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.208 10.802 -1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.030 12.333 -1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.071 10.987 -0.350 1.00 0.00 H new ATOM 42 N VAL A 4 5.133 11.053 0.415 1.00 0.00 N ATOM 43 CA VAL A 4 4.312 9.949 0.986 1.00 0.00 C ATOM 44 C VAL A 4 3.693 9.132 -0.151 1.00 0.00 C ATOM 45 O VAL A 4 2.583 9.384 -0.575 1.00 0.00 O ATOM 46 CB VAL A 4 3.201 10.537 1.856 1.00 0.00 C ATOM 47 CG1 VAL A 4 3.812 11.167 3.108 1.00 0.00 C ATOM 48 CG2 VAL A 4 2.443 11.605 1.064 1.00 0.00 C ATOM 0 H VAL A 4 4.638 11.933 0.270 1.00 0.00 H new ATOM 0 HA VAL A 4 4.945 9.303 1.594 1.00 0.00 H new ATOM 0 HB VAL A 4 2.512 9.745 2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.020 11.586 3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.350 10.406 3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.502 11.959 2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.651 12.024 1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.132 12.397 0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.006 11.155 0.173 1.00 0.00 H new ATOM 58 N SER A 5 4.402 8.154 -0.646 1.00 0.00 N ATOM 59 CA SER A 5 3.853 7.320 -1.753 1.00 0.00 C ATOM 60 C SER A 5 4.544 5.955 -1.754 1.00 0.00 C ATOM 61 O SER A 5 5.633 5.800 -1.237 1.00 0.00 O ATOM 62 CB SER A 5 4.102 8.017 -3.091 1.00 0.00 C ATOM 63 OG SER A 5 4.845 9.208 -2.869 1.00 0.00 O ATOM 0 H SER A 5 5.338 7.897 -0.332 1.00 0.00 H new ATOM 0 HA SER A 5 2.781 7.186 -1.608 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.647 7.355 -3.763 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.153 8.251 -3.574 1.00 0.00 H new ATOM 0 HG SER A 5 5.008 9.656 -3.725 1.00 0.00 H new ATOM 69 N VAL A 6 3.921 4.962 -2.330 1.00 0.00 N ATOM 70 CA VAL A 6 4.547 3.609 -2.361 1.00 0.00 C ATOM 71 C VAL A 6 4.612 3.104 -3.805 1.00 0.00 C ATOM 72 O VAL A 6 3.848 3.521 -4.653 1.00 0.00 O ATOM 73 CB VAL A 6 3.705 2.642 -1.526 1.00 0.00 C ATOM 74 CG1 VAL A 6 4.475 1.335 -1.323 1.00 0.00 C ATOM 75 CG2 VAL A 6 3.406 3.274 -0.165 1.00 0.00 C ATOM 0 H VAL A 6 3.008 5.029 -2.779 1.00 0.00 H new ATOM 0 HA VAL A 6 5.555 3.668 -1.952 1.00 0.00 H new ATOM 0 HB VAL A 6 2.770 2.434 -2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.874 0.647 -0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.689 0.885 -2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.411 1.541 -0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.806 2.587 0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.342 3.482 0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.856 4.204 -0.309 1.00 0.00 H new ATOM 85 N ASP A 7 5.513 2.201 -4.090 1.00 0.00 N ATOM 86 CA ASP A 7 5.616 1.666 -5.478 1.00 0.00 C ATOM 87 C ASP A 7 4.303 0.969 -5.834 1.00 0.00 C ATOM 88 O ASP A 7 3.689 0.329 -5.003 1.00 0.00 O ATOM 89 CB ASP A 7 6.768 0.660 -5.557 1.00 0.00 C ATOM 90 CG ASP A 7 6.794 0.018 -6.946 1.00 0.00 C ATOM 91 OD1 ASP A 7 5.829 -0.645 -7.289 1.00 0.00 O ATOM 92 OD2 ASP A 7 7.779 0.200 -7.643 1.00 0.00 O ATOM 0 H ASP A 7 6.180 1.812 -3.423 1.00 0.00 H new ATOM 0 HA ASP A 7 5.806 2.481 -6.177 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.716 1.161 -5.359 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.647 -0.108 -4.793 1.00 0.00 H new ATOM 97 N CYS A 8 3.853 1.093 -7.053 1.00 0.00 N ATOM 98 CA CYS A 8 2.567 0.440 -7.421 1.00 0.00 C ATOM 99 C CYS A 8 2.466 0.291 -8.942 1.00 0.00 C ATOM 100 O CYS A 8 1.387 0.210 -9.495 1.00 0.00 O ATOM 101 CB CYS A 8 1.420 1.315 -6.900 1.00 0.00 C ATOM 102 SG CYS A 8 -0.028 0.327 -6.439 1.00 0.00 S ATOM 0 H CYS A 8 4.314 1.611 -7.801 1.00 0.00 H new ATOM 0 HA CYS A 8 2.512 -0.554 -6.978 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.761 1.884 -6.035 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.138 2.037 -7.666 1.00 0.00 H new ATOM 107 N SER A 9 3.577 0.258 -9.624 1.00 0.00 N ATOM 108 CA SER A 9 3.534 0.117 -11.106 1.00 0.00 C ATOM 109 C SER A 9 3.590 -1.363 -11.497 1.00 0.00 C ATOM 110 O SER A 9 3.872 -1.699 -12.631 1.00 0.00 O ATOM 111 CB SER A 9 4.726 0.849 -11.721 1.00 0.00 C ATOM 112 OG SER A 9 4.495 1.037 -13.111 1.00 0.00 O ATOM 0 H SER A 9 4.511 0.322 -9.220 1.00 0.00 H new ATOM 0 HA SER A 9 2.604 0.549 -11.477 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.869 1.812 -11.231 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.639 0.275 -11.567 1.00 0.00 H new ATOM 0 HG SER A 9 4.194 0.194 -13.510 1.00 0.00 H new ATOM 118 N GLU A 10 3.337 -2.252 -10.576 1.00 0.00 N ATOM 119 CA GLU A 10 3.395 -3.705 -10.920 1.00 0.00 C ATOM 120 C GLU A 10 2.191 -4.463 -10.340 1.00 0.00 C ATOM 121 O GLU A 10 1.952 -5.605 -10.682 1.00 0.00 O ATOM 122 CB GLU A 10 4.685 -4.304 -10.357 1.00 0.00 C ATOM 123 CG GLU A 10 5.860 -3.378 -10.675 1.00 0.00 C ATOM 124 CD GLU A 10 6.057 -2.389 -9.523 1.00 0.00 C ATOM 125 OE1 GLU A 10 5.527 -2.645 -8.454 1.00 0.00 O ATOM 126 OE2 GLU A 10 6.732 -1.396 -9.730 1.00 0.00 O ATOM 0 H GLU A 10 3.095 -2.040 -9.608 1.00 0.00 H new ATOM 0 HA GLU A 10 3.372 -3.802 -12.005 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.596 -4.438 -9.279 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.859 -5.290 -10.788 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.767 -3.963 -10.825 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.671 -2.839 -11.603 1.00 0.00 H new ATOM 133 N TYR A 11 1.435 -3.854 -9.468 1.00 0.00 N ATOM 134 CA TYR A 11 0.272 -4.544 -8.878 1.00 0.00 C ATOM 135 C TYR A 11 -0.947 -4.345 -9.801 1.00 0.00 C ATOM 136 O TYR A 11 -0.936 -3.480 -10.655 1.00 0.00 O ATOM 137 CB TYR A 11 0.041 -3.947 -7.488 1.00 0.00 C ATOM 138 CG TYR A 11 1.190 -4.364 -6.581 1.00 0.00 C ATOM 139 CD1 TYR A 11 2.356 -3.586 -6.518 1.00 0.00 C ATOM 140 CD2 TYR A 11 1.094 -5.533 -5.812 1.00 0.00 C ATOM 141 CE1 TYR A 11 3.417 -3.971 -5.691 1.00 0.00 C ATOM 142 CE2 TYR A 11 2.163 -5.918 -4.986 1.00 0.00 C ATOM 143 CZ TYR A 11 3.322 -5.138 -4.928 1.00 0.00 C ATOM 144 OH TYR A 11 4.374 -5.517 -4.117 1.00 0.00 O ATOM 0 H TYR A 11 1.581 -2.899 -9.141 1.00 0.00 H new ATOM 0 HA TYR A 11 0.439 -5.617 -8.780 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.018 -2.860 -7.548 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.908 -4.295 -7.080 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.435 -2.686 -7.110 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.199 -6.136 -5.855 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.310 -3.366 -5.642 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.089 -6.819 -4.394 1.00 0.00 H new ATOM 0 HH TYR A 11 4.146 -6.350 -3.654 1.00 0.00 H new ATOM 154 N PRO A 12 -1.935 -5.188 -9.638 1.00 0.00 N ATOM 155 CA PRO A 12 -1.933 -6.230 -8.599 1.00 0.00 C ATOM 156 C PRO A 12 -0.930 -7.343 -8.909 1.00 0.00 C ATOM 157 O PRO A 12 -0.705 -7.707 -10.045 1.00 0.00 O ATOM 158 CB PRO A 12 -3.362 -6.779 -8.634 1.00 0.00 C ATOM 159 CG PRO A 12 -3.909 -6.450 -10.044 1.00 0.00 C ATOM 160 CD PRO A 12 -3.131 -5.209 -10.510 1.00 0.00 C ATOM 0 HA PRO A 12 -1.641 -5.835 -7.626 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.372 -7.854 -8.452 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.976 -6.319 -7.860 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.759 -7.286 -10.727 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.980 -6.252 -10.012 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.856 -5.282 -11.562 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.723 -4.301 -10.397 1.00 0.00 H new ATOM 168 N LYS A 13 -0.331 -7.879 -7.882 1.00 0.00 N ATOM 169 CA LYS A 13 0.662 -8.972 -8.059 1.00 0.00 C ATOM 170 C LYS A 13 0.057 -10.273 -7.520 1.00 0.00 C ATOM 171 O LYS A 13 -0.714 -10.248 -6.581 1.00 0.00 O ATOM 172 CB LYS A 13 1.920 -8.625 -7.260 1.00 0.00 C ATOM 173 CG LYS A 13 3.155 -8.744 -8.154 1.00 0.00 C ATOM 174 CD LYS A 13 4.275 -9.446 -7.383 1.00 0.00 C ATOM 175 CE LYS A 13 5.601 -8.730 -7.642 1.00 0.00 C ATOM 176 NZ LYS A 13 5.950 -8.847 -9.085 1.00 0.00 N ATOM 0 H LYS A 13 -0.491 -7.601 -6.914 1.00 0.00 H new ATOM 0 HA LYS A 13 0.917 -9.092 -9.112 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.843 -7.612 -6.865 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.014 -9.294 -6.405 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.912 -9.306 -9.056 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.483 -7.755 -8.473 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.052 -9.445 -6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.346 -10.489 -7.693 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.522 -7.680 -7.359 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.389 -9.167 -7.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.940 -8.561 -9.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.827 -9.833 -9.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.328 -8.229 -9.644 1.00 0.00 H new ATOM 190 N PRO A 14 0.419 -11.376 -8.128 1.00 0.00 N ATOM 191 CA PRO A 14 -0.081 -12.706 -7.724 1.00 0.00 C ATOM 192 C PRO A 14 0.654 -13.211 -6.480 1.00 0.00 C ATOM 193 O PRO A 14 0.591 -14.374 -6.136 1.00 0.00 O ATOM 194 CB PRO A 14 0.228 -13.586 -8.936 1.00 0.00 C ATOM 195 CG PRO A 14 1.369 -12.879 -9.705 1.00 0.00 C ATOM 196 CD PRO A 14 1.340 -11.401 -9.284 1.00 0.00 C ATOM 0 HA PRO A 14 -1.139 -12.701 -7.462 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.530 -14.586 -8.624 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.653 -13.702 -9.567 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.333 -13.330 -9.467 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.228 -12.977 -10.781 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.333 -11.044 -9.011 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.983 -10.763 -10.092 1.00 0.00 H new ATOM 204 N ALA A 15 1.346 -12.341 -5.805 1.00 0.00 N ATOM 205 CA ALA A 15 2.084 -12.750 -4.581 1.00 0.00 C ATOM 206 C ALA A 15 2.425 -11.503 -3.763 1.00 0.00 C ATOM 207 O ALA A 15 3.298 -10.737 -4.119 1.00 0.00 O ATOM 208 CB ALA A 15 3.376 -13.466 -4.978 1.00 0.00 C ATOM 0 H ALA A 15 1.433 -11.355 -6.051 1.00 0.00 H new ATOM 0 HA ALA A 15 1.466 -13.423 -3.988 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.917 -13.766 -4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.135 -14.350 -5.569 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.998 -12.793 -5.569 1.00 0.00 H new ATOM 214 N CYS A 16 1.741 -11.290 -2.673 1.00 0.00 N ATOM 215 CA CYS A 16 2.027 -10.089 -1.838 1.00 0.00 C ATOM 216 C CYS A 16 3.257 -10.351 -0.971 1.00 0.00 C ATOM 217 O CYS A 16 3.415 -11.418 -0.411 1.00 0.00 O ATOM 218 CB CYS A 16 0.826 -9.792 -0.935 1.00 0.00 C ATOM 219 SG CYS A 16 -0.575 -9.258 -1.949 1.00 0.00 S ATOM 0 H CYS A 16 0.997 -11.895 -2.324 1.00 0.00 H new ATOM 0 HA CYS A 16 2.213 -9.235 -2.489 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.558 -10.681 -0.365 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.083 -9.016 -0.214 1.00 0.00 H new ATOM 224 N THR A 17 4.129 -9.384 -0.850 1.00 0.00 N ATOM 225 CA THR A 17 5.341 -9.581 -0.007 1.00 0.00 C ATOM 226 C THR A 17 4.911 -10.194 1.323 1.00 0.00 C ATOM 227 O THR A 17 3.736 -10.332 1.598 1.00 0.00 O ATOM 228 CB THR A 17 6.016 -8.231 0.248 1.00 0.00 C ATOM 229 OG1 THR A 17 5.021 -7.247 0.491 1.00 0.00 O ATOM 230 CG2 THR A 17 6.846 -7.830 -0.973 1.00 0.00 C ATOM 0 H THR A 17 4.053 -8.470 -1.297 1.00 0.00 H new ATOM 0 HA THR A 17 6.045 -10.240 -0.515 1.00 0.00 H new ATOM 0 HB THR A 17 6.671 -8.311 1.116 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.411 -6.506 1.000 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.325 -6.869 -0.788 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.609 -8.586 -1.158 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.196 -7.750 -1.844 1.00 0.00 H new ATOM 238 N LEU A 18 5.838 -10.568 2.155 1.00 0.00 N ATOM 239 CA LEU A 18 5.439 -11.174 3.452 1.00 0.00 C ATOM 240 C LEU A 18 5.796 -10.236 4.605 1.00 0.00 C ATOM 241 O LEU A 18 5.097 -10.178 5.598 1.00 0.00 O ATOM 242 CB LEU A 18 6.160 -12.510 3.636 1.00 0.00 C ATOM 243 CG LEU A 18 5.819 -13.440 2.471 1.00 0.00 C ATOM 244 CD1 LEU A 18 7.100 -13.808 1.721 1.00 0.00 C ATOM 245 CD2 LEU A 18 5.161 -14.713 3.012 1.00 0.00 C ATOM 0 H LEU A 18 6.842 -10.482 1.997 1.00 0.00 H new ATOM 0 HA LEU A 18 4.361 -11.338 3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.237 -12.350 3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.863 -12.968 4.579 1.00 0.00 H new ATOM 0 HG LEU A 18 5.132 -12.936 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.858 -14.471 0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.570 -12.902 1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.787 -14.313 2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.917 -15.377 2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.848 -15.218 3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.248 -14.451 3.548 1.00 0.00 H new ATOM 257 N GLU A 19 6.872 -9.500 4.494 1.00 0.00 N ATOM 258 CA GLU A 19 7.242 -8.576 5.602 1.00 0.00 C ATOM 259 C GLU A 19 5.987 -7.828 6.047 1.00 0.00 C ATOM 260 O GLU A 19 5.113 -7.545 5.252 1.00 0.00 O ATOM 261 CB GLU A 19 8.318 -7.593 5.130 1.00 0.00 C ATOM 262 CG GLU A 19 7.731 -6.580 4.141 1.00 0.00 C ATOM 263 CD GLU A 19 8.218 -6.899 2.725 1.00 0.00 C ATOM 264 OE1 GLU A 19 9.047 -7.783 2.586 1.00 0.00 O ATOM 265 OE2 GLU A 19 7.754 -6.250 1.801 1.00 0.00 O ATOM 0 H GLU A 19 7.503 -9.500 3.692 1.00 0.00 H new ATOM 0 HA GLU A 19 7.648 -9.140 6.442 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.740 -7.069 5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.134 -8.139 4.657 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.642 -6.611 4.177 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.030 -5.570 4.420 1.00 0.00 H new ATOM 272 N TYR A 20 5.866 -7.531 7.311 1.00 0.00 N ATOM 273 CA TYR A 20 4.637 -6.833 7.777 1.00 0.00 C ATOM 274 C TYR A 20 4.830 -5.318 7.753 1.00 0.00 C ATOM 275 O TYR A 20 5.466 -4.742 8.614 1.00 0.00 O ATOM 276 CB TYR A 20 4.288 -7.284 9.198 1.00 0.00 C ATOM 277 CG TYR A 20 2.898 -6.803 9.549 1.00 0.00 C ATOM 278 CD1 TYR A 20 1.863 -6.880 8.604 1.00 0.00 C ATOM 279 CD2 TYR A 20 2.644 -6.273 10.819 1.00 0.00 C ATOM 280 CE1 TYR A 20 0.579 -6.429 8.932 1.00 0.00 C ATOM 281 CE2 TYR A 20 1.359 -5.822 11.146 1.00 0.00 C ATOM 282 CZ TYR A 20 0.327 -5.899 10.202 1.00 0.00 C ATOM 283 OH TYR A 20 -0.939 -5.454 10.526 1.00 0.00 O ATOM 0 H TYR A 20 6.556 -7.738 8.033 1.00 0.00 H new ATOM 0 HA TYR A 20 3.821 -7.090 7.102 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.338 -8.371 9.269 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.013 -6.884 9.907 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.057 -7.288 7.623 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.439 -6.212 11.547 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.217 -6.490 8.205 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.164 -5.414 12.127 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.942 -5.118 11.446 1.00 0.00 H new ATOM 293 N ARG A 21 4.256 -4.671 6.779 1.00 0.00 N ATOM 294 CA ARG A 21 4.361 -3.191 6.687 1.00 0.00 C ATOM 295 C ARG A 21 2.960 -2.636 6.439 1.00 0.00 C ATOM 296 O ARG A 21 2.567 -2.427 5.312 1.00 0.00 O ATOM 297 CB ARG A 21 5.287 -2.805 5.535 1.00 0.00 C ATOM 298 CG ARG A 21 6.738 -3.047 5.951 1.00 0.00 C ATOM 299 CD ARG A 21 7.210 -1.899 6.847 1.00 0.00 C ATOM 300 NE ARG A 21 8.692 -1.961 6.994 1.00 0.00 N ATOM 301 CZ ARG A 21 9.462 -1.607 6.002 1.00 0.00 C ATOM 302 NH1 ARG A 21 9.461 -0.372 5.583 1.00 0.00 N ATOM 303 NH2 ARG A 21 10.233 -2.490 5.427 1.00 0.00 N ATOM 0 H ARG A 21 3.713 -5.110 6.035 1.00 0.00 H new ATOM 0 HA ARG A 21 4.773 -2.781 7.609 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.048 -3.392 4.648 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.142 -1.757 5.272 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.822 -3.995 6.482 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.374 -3.119 5.068 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.916 -0.942 6.415 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.734 -1.967 7.825 1.00 0.00 H new ATOM 0 HE ARG A 21 9.104 -2.280 7.871 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.858 0.318 6.031 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.063 -0.096 4.807 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.233 -3.456 5.753 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.835 -2.213 4.651 1.00 0.00 H new ATOM 317 N PRO A 22 2.241 -2.428 7.507 1.00 0.00 N ATOM 318 CA PRO A 22 0.857 -1.930 7.443 1.00 0.00 C ATOM 319 C PRO A 22 0.811 -0.490 6.951 1.00 0.00 C ATOM 320 O PRO A 22 1.232 0.412 7.633 1.00 0.00 O ATOM 321 CB PRO A 22 0.363 -2.047 8.891 1.00 0.00 C ATOM 322 CG PRO A 22 1.623 -2.114 9.780 1.00 0.00 C ATOM 323 CD PRO A 22 2.755 -2.634 8.878 1.00 0.00 C ATOM 0 HA PRO A 22 0.237 -2.490 6.743 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.256 -1.191 9.160 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.251 -2.938 9.021 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.867 -1.132 10.184 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.465 -2.778 10.630 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.682 -2.085 9.044 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.968 -3.685 9.071 1.00 0.00 H new ATOM 331 N LEU A 23 0.301 -0.264 5.769 1.00 0.00 N ATOM 332 CA LEU A 23 0.232 1.127 5.263 1.00 0.00 C ATOM 333 C LEU A 23 -1.189 1.638 5.445 1.00 0.00 C ATOM 334 O LEU A 23 -2.128 1.109 4.881 1.00 0.00 O ATOM 335 CB LEU A 23 0.608 1.150 3.788 1.00 0.00 C ATOM 336 CG LEU A 23 1.836 0.271 3.578 1.00 0.00 C ATOM 337 CD1 LEU A 23 1.681 -0.508 2.285 1.00 0.00 C ATOM 338 CD2 LEU A 23 3.080 1.145 3.493 1.00 0.00 C ATOM 0 H LEU A 23 -0.066 -0.979 5.141 1.00 0.00 H new ATOM 0 HA LEU A 23 0.926 1.763 5.813 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.222 0.789 3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.816 2.171 3.468 1.00 0.00 H new ATOM 0 HG LEU A 23 1.934 -0.421 4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.558 -1.137 2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.790 -1.134 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.583 0.187 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.957 0.516 3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.982 1.837 2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.192 1.709 4.419 1.00 0.00 H new ATOM 350 N CYS A 24 -1.358 2.659 6.229 1.00 0.00 N ATOM 351 CA CYS A 24 -2.724 3.197 6.445 1.00 0.00 C ATOM 352 C CYS A 24 -3.015 4.202 5.352 1.00 0.00 C ATOM 353 O CYS A 24 -2.317 5.183 5.196 1.00 0.00 O ATOM 354 CB CYS A 24 -2.795 3.856 7.817 1.00 0.00 C ATOM 355 SG CYS A 24 -3.000 2.565 9.032 1.00 0.00 S ATOM 0 H CYS A 24 -0.612 3.144 6.729 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.465 2.399 6.410 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.887 4.426 8.015 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.628 4.558 7.861 1.00 0.00 H new ATOM 360 N GLY A 25 -4.021 3.959 4.571 1.00 0.00 N ATOM 361 CA GLY A 25 -4.308 4.903 3.479 1.00 0.00 C ATOM 362 C GLY A 25 -4.536 6.292 4.076 1.00 0.00 C ATOM 363 O GLY A 25 -4.226 6.548 5.224 1.00 0.00 O ATOM 0 H GLY A 25 -4.647 3.157 4.643 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.478 4.927 2.773 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.189 4.581 2.924 1.00 0.00 H new ATOM 367 N SER A 26 -5.100 7.181 3.314 1.00 0.00 N ATOM 368 CA SER A 26 -5.378 8.546 3.839 1.00 0.00 C ATOM 369 C SER A 26 -6.789 8.578 4.430 1.00 0.00 C ATOM 370 O SER A 26 -7.219 9.574 4.977 1.00 0.00 O ATOM 371 CB SER A 26 -5.281 9.569 2.706 1.00 0.00 C ATOM 372 OG SER A 26 -5.169 10.871 3.264 1.00 0.00 O ATOM 0 H SER A 26 -5.382 7.023 2.347 1.00 0.00 H new ATOM 0 HA SER A 26 -4.647 8.793 4.609 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.417 9.353 2.078 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.162 9.508 2.068 1.00 0.00 H new ATOM 0 HG SER A 26 -4.625 10.832 4.078 1.00 0.00 H new ATOM 378 N ASP A 27 -7.517 7.498 4.321 1.00 0.00 N ATOM 379 CA ASP A 27 -8.900 7.477 4.872 1.00 0.00 C ATOM 380 C ASP A 27 -8.897 6.765 6.224 1.00 0.00 C ATOM 381 O ASP A 27 -9.721 7.046 7.069 1.00 0.00 O ATOM 382 CB ASP A 27 -9.824 6.738 3.903 1.00 0.00 C ATOM 383 CG ASP A 27 -9.349 5.293 3.748 1.00 0.00 C ATOM 384 OD1 ASP A 27 -9.541 4.526 4.677 1.00 0.00 O ATOM 385 OD2 ASP A 27 -8.802 4.978 2.705 1.00 0.00 O ATOM 0 H ASP A 27 -7.213 6.632 3.875 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.257 8.499 5.002 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.849 6.757 4.274 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.827 7.237 2.934 1.00 0.00 H new ATOM 390 N ASN A 28 -7.965 5.853 6.415 1.00 0.00 N ATOM 391 CA ASN A 28 -7.842 5.082 7.702 1.00 0.00 C ATOM 392 C ASN A 28 -8.029 3.590 7.428 1.00 0.00 C ATOM 393 O ASN A 28 -8.620 2.875 8.215 1.00 0.00 O ATOM 394 CB ASN A 28 -8.881 5.532 8.735 1.00 0.00 C ATOM 395 CG ASN A 28 -8.651 4.789 10.050 1.00 0.00 C ATOM 396 OD1 ASN A 28 -7.548 4.365 10.338 1.00 0.00 O ATOM 397 ND2 ASN A 28 -9.652 4.611 10.867 1.00 0.00 N ATOM 0 H ASN A 28 -7.267 5.605 5.714 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.849 5.274 8.108 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -8.807 6.608 8.896 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.887 5.334 8.364 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.510 4.116 11.748 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.577 4.967 10.625 1.00 0.00 H new ATOM 404 N LYS A 29 -7.518 3.106 6.330 1.00 0.00 N ATOM 405 CA LYS A 29 -7.654 1.651 6.028 1.00 0.00 C ATOM 406 C LYS A 29 -6.281 0.994 6.155 1.00 0.00 C ATOM 407 O LYS A 29 -5.334 1.382 5.502 1.00 0.00 O ATOM 408 CB LYS A 29 -8.202 1.448 4.610 1.00 0.00 C ATOM 409 CG LYS A 29 -7.631 2.508 3.665 1.00 0.00 C ATOM 410 CD LYS A 29 -8.294 2.369 2.294 1.00 0.00 C ATOM 411 CE LYS A 29 -9.807 2.541 2.446 1.00 0.00 C ATOM 412 NZ LYS A 29 -10.483 1.235 2.206 1.00 0.00 N ATOM 0 H LYS A 29 -7.014 3.651 5.631 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.351 1.197 6.732 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.942 0.452 4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.290 1.509 4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.808 3.505 4.068 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.551 2.388 3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.898 3.118 1.608 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.068 1.393 1.865 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.043 2.907 3.445 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.172 3.286 1.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.511 1.352 2.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.267 0.904 1.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.143 0.536 2.897 1.00 0.00 H new ATOM 426 N THR A 30 -6.156 0.012 7.007 1.00 0.00 N ATOM 427 CA THR A 30 -4.832 -0.648 7.189 1.00 0.00 C ATOM 428 C THR A 30 -4.651 -1.787 6.186 1.00 0.00 C ATOM 429 O THR A 30 -5.418 -2.729 6.149 1.00 0.00 O ATOM 430 CB THR A 30 -4.733 -1.223 8.604 1.00 0.00 C ATOM 431 OG1 THR A 30 -4.880 -0.179 9.553 1.00 0.00 O ATOM 432 CG2 THR A 30 -3.369 -1.893 8.784 1.00 0.00 C ATOM 0 H THR A 30 -6.911 -0.360 7.583 1.00 0.00 H new ATOM 0 HA THR A 30 -4.055 0.099 7.028 1.00 0.00 H new ATOM 0 HB THR A 30 -5.523 -1.959 8.755 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.521 0.654 9.181 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.295 -2.304 9.791 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.259 -2.696 8.056 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.579 -1.157 8.634 1.00 0.00 H new ATOM 440 N TYR A 31 -3.614 -1.723 5.399 1.00 0.00 N ATOM 441 CA TYR A 31 -3.343 -2.813 4.427 1.00 0.00 C ATOM 442 C TYR A 31 -2.155 -3.615 4.963 1.00 0.00 C ATOM 443 O TYR A 31 -1.121 -3.060 5.281 1.00 0.00 O ATOM 444 CB TYR A 31 -3.025 -2.210 3.057 1.00 0.00 C ATOM 445 CG TYR A 31 -4.312 -1.732 2.421 1.00 0.00 C ATOM 446 CD1 TYR A 31 -4.769 -0.433 2.665 1.00 0.00 C ATOM 447 CD2 TYR A 31 -5.052 -2.589 1.595 1.00 0.00 C ATOM 448 CE1 TYR A 31 -5.961 0.013 2.084 1.00 0.00 C ATOM 449 CE2 TYR A 31 -6.245 -2.143 1.013 1.00 0.00 C ATOM 450 CZ TYR A 31 -6.699 -0.842 1.258 1.00 0.00 C ATOM 451 OH TYR A 31 -7.876 -0.403 0.685 1.00 0.00 O ATOM 0 H TYR A 31 -2.940 -0.957 5.389 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.209 -3.465 4.309 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.326 -1.380 3.163 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.543 -2.953 2.421 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.201 0.227 3.303 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.702 -3.593 1.407 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.311 1.017 2.273 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.815 -2.803 0.375 1.00 0.00 H new ATOM 0 HH TYR A 31 -8.262 -1.120 0.140 1.00 0.00 H new ATOM 461 N GLY A 32 -2.315 -4.906 5.109 1.00 0.00 N ATOM 462 CA GLY A 32 -1.221 -5.748 5.676 1.00 0.00 C ATOM 463 C GLY A 32 0.147 -5.241 5.224 1.00 0.00 C ATOM 464 O GLY A 32 0.985 -4.897 6.034 1.00 0.00 O ATOM 0 H GLY A 32 -3.162 -5.415 4.858 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.276 -5.738 6.765 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.352 -6.783 5.360 1.00 0.00 H new ATOM 468 N ASN A 33 0.391 -5.185 3.945 1.00 0.00 N ATOM 469 CA ASN A 33 1.717 -4.689 3.487 1.00 0.00 C ATOM 470 C ASN A 33 1.568 -3.855 2.223 1.00 0.00 C ATOM 471 O ASN A 33 0.499 -3.398 1.882 1.00 0.00 O ATOM 472 CB ASN A 33 2.670 -5.858 3.226 1.00 0.00 C ATOM 473 CG ASN A 33 2.118 -6.766 2.129 1.00 0.00 C ATOM 474 OD1 ASN A 33 1.129 -6.451 1.499 1.00 0.00 O ATOM 475 ND2 ASN A 33 2.730 -7.889 1.872 1.00 0.00 N ATOM 0 H ASN A 33 -0.259 -5.457 3.207 1.00 0.00 H new ATOM 0 HA ASN A 33 2.134 -4.064 4.276 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.649 -5.478 2.933 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.812 -6.431 4.143 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.378 -8.506 1.140 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.561 -8.150 2.403 1.00 0.00 H new ATOM 482 N LYS A 34 2.654 -3.637 1.550 1.00 0.00 N ATOM 483 CA LYS A 34 2.646 -2.816 0.321 1.00 0.00 C ATOM 484 C LYS A 34 1.859 -3.499 -0.798 1.00 0.00 C ATOM 485 O LYS A 34 1.225 -2.843 -1.585 1.00 0.00 O ATOM 486 CB LYS A 34 4.093 -2.615 -0.104 1.00 0.00 C ATOM 487 CG LYS A 34 4.852 -3.942 0.010 1.00 0.00 C ATOM 488 CD LYS A 34 5.988 -3.973 -1.013 1.00 0.00 C ATOM 489 CE LYS A 34 5.419 -3.773 -2.420 1.00 0.00 C ATOM 490 NZ LYS A 34 5.537 -2.338 -2.805 1.00 0.00 N ATOM 0 H LYS A 34 3.570 -4.004 1.808 1.00 0.00 H new ATOM 0 HA LYS A 34 2.161 -1.860 0.518 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.134 -2.248 -1.130 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.565 -1.859 0.524 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.253 -4.058 1.017 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.172 -4.777 -0.161 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.714 -3.191 -0.789 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.517 -4.925 -0.956 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.957 -4.397 -3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.375 -4.084 -2.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.597 -1.965 -3.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.932 -1.797 -2.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.165 -2.250 -3.629 1.00 0.00 H new ATOM 504 N CYS A 35 1.881 -4.795 -0.895 1.00 0.00 N ATOM 505 CA CYS A 35 1.102 -5.442 -1.984 1.00 0.00 C ATOM 506 C CYS A 35 -0.386 -5.195 -1.730 1.00 0.00 C ATOM 507 O CYS A 35 -1.196 -5.204 -2.634 1.00 0.00 O ATOM 508 CB CYS A 35 1.374 -6.946 -1.991 1.00 0.00 C ATOM 509 SG CYS A 35 0.186 -7.771 -3.083 1.00 0.00 S ATOM 0 H CYS A 35 2.394 -5.426 -0.280 1.00 0.00 H new ATOM 0 HA CYS A 35 1.394 -5.024 -2.947 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.391 -7.141 -2.330 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.293 -7.346 -0.980 1.00 0.00 H new ATOM 514 N ASN A 36 -0.748 -4.988 -0.493 1.00 0.00 N ATOM 515 CA ASN A 36 -2.182 -4.759 -0.154 1.00 0.00 C ATOM 516 C ASN A 36 -2.543 -3.270 -0.292 1.00 0.00 C ATOM 517 O ASN A 36 -3.608 -2.927 -0.767 1.00 0.00 O ATOM 518 CB ASN A 36 -2.421 -5.221 1.285 1.00 0.00 C ATOM 519 CG ASN A 36 -2.723 -6.723 1.295 1.00 0.00 C ATOM 520 OD1 ASN A 36 -3.868 -7.124 1.229 1.00 0.00 O ATOM 521 ND2 ASN A 36 -1.736 -7.576 1.373 1.00 0.00 N ATOM 0 H ASN A 36 -0.109 -4.968 0.302 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.811 -5.324 -0.841 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.543 -5.012 1.896 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.253 -4.669 1.722 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.927 -8.578 1.378 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.775 -7.240 1.428 1.00 0.00 H new ATOM 528 N PHE A 37 -1.674 -2.384 0.120 1.00 0.00 N ATOM 529 CA PHE A 37 -1.978 -0.923 0.011 1.00 0.00 C ATOM 530 C PHE A 37 -1.855 -0.489 -1.420 1.00 0.00 C ATOM 531 O PHE A 37 -2.552 0.380 -1.911 1.00 0.00 O ATOM 532 CB PHE A 37 -0.968 -0.123 0.821 1.00 0.00 C ATOM 533 CG PHE A 37 -1.373 1.320 0.788 1.00 0.00 C ATOM 534 CD1 PHE A 37 -2.583 1.757 1.324 1.00 0.00 C ATOM 535 CD2 PHE A 37 -0.526 2.211 0.143 1.00 0.00 C ATOM 536 CE1 PHE A 37 -2.947 3.108 1.210 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.875 3.557 0.029 1.00 0.00 C ATOM 538 CZ PHE A 37 -2.090 4.010 0.560 1.00 0.00 C ATOM 0 H PHE A 37 -0.766 -2.608 0.528 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.988 -0.751 0.382 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.934 -0.484 1.849 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.033 -0.246 0.407 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.238 1.059 1.825 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.407 1.861 -0.272 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.884 3.453 1.621 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.210 4.248 -0.467 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.366 5.050 0.469 1.00 0.00 H new ATOM 548 N CYS A 38 -0.942 -1.086 -2.067 1.00 0.00 N ATOM 549 CA CYS A 38 -0.684 -0.732 -3.485 1.00 0.00 C ATOM 550 C CYS A 38 -1.795 -1.296 -4.357 1.00 0.00 C ATOM 551 O CYS A 38 -2.319 -0.612 -5.196 1.00 0.00 O ATOM 552 CB CYS A 38 0.671 -1.285 -3.935 1.00 0.00 C ATOM 553 SG CYS A 38 0.723 -1.403 -5.737 1.00 0.00 S ATOM 0 H CYS A 38 -0.343 -1.819 -1.686 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.662 0.353 -3.584 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.473 -0.637 -3.582 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.837 -2.267 -3.493 1.00 0.00 H new ATOM 558 N ASN A 39 -2.159 -2.534 -4.189 1.00 0.00 N ATOM 559 CA ASN A 39 -3.243 -3.075 -5.046 1.00 0.00 C ATOM 560 C ASN A 39 -4.431 -2.119 -4.960 1.00 0.00 C ATOM 561 O ASN A 39 -5.030 -1.771 -5.954 1.00 0.00 O ATOM 562 CB ASN A 39 -3.656 -4.465 -4.555 1.00 0.00 C ATOM 563 CG ASN A 39 -2.521 -5.454 -4.815 1.00 0.00 C ATOM 564 OD1 ASN A 39 -1.415 -5.056 -5.121 1.00 0.00 O ATOM 565 ND2 ASN A 39 -2.748 -6.734 -4.704 1.00 0.00 N ATOM 0 H ASN A 39 -1.762 -3.183 -3.509 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.900 -3.164 -6.077 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.888 -4.432 -3.490 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.561 -4.790 -5.069 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.996 -7.402 -4.874 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.677 -7.067 -4.447 1.00 0.00 H new ATOM 572 N ALA A 40 -4.756 -1.675 -3.774 1.00 0.00 N ATOM 573 CA ALA A 40 -5.888 -0.720 -3.614 1.00 0.00 C ATOM 574 C ALA A 40 -5.558 0.563 -4.381 1.00 0.00 C ATOM 575 O ALA A 40 -6.421 1.236 -4.908 1.00 0.00 O ATOM 576 CB ALA A 40 -6.068 -0.395 -2.128 1.00 0.00 C ATOM 0 H ALA A 40 -4.284 -1.934 -2.908 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.808 -1.159 -4.002 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.896 0.304 -2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.283 -1.312 -1.579 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.154 0.054 -1.740 1.00 0.00 H new ATOM 582 N VAL A 41 -4.302 0.903 -4.433 1.00 0.00 N ATOM 583 CA VAL A 41 -3.876 2.136 -5.155 1.00 0.00 C ATOM 584 C VAL A 41 -4.031 1.946 -6.671 1.00 0.00 C ATOM 585 O VAL A 41 -4.410 2.851 -7.383 1.00 0.00 O ATOM 586 CB VAL A 41 -2.401 2.406 -4.841 1.00 0.00 C ATOM 587 CG1 VAL A 41 -1.851 3.465 -5.802 1.00 0.00 C ATOM 588 CG2 VAL A 41 -2.268 2.900 -3.399 1.00 0.00 C ATOM 0 H VAL A 41 -3.543 0.375 -4.002 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.498 2.972 -4.833 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.832 1.484 -4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.802 3.653 -5.574 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.941 3.107 -6.828 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.418 4.389 -5.689 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.219 3.092 -3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.840 3.820 -3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.651 2.140 -2.717 1.00 0.00 H new ATOM 598 N VAL A 42 -3.715 0.785 -7.173 1.00 0.00 N ATOM 599 CA VAL A 42 -3.807 0.551 -8.630 1.00 0.00 C ATOM 600 C VAL A 42 -5.221 0.086 -9.010 1.00 0.00 C ATOM 601 O VAL A 42 -5.579 0.068 -10.171 1.00 0.00 O ATOM 602 CB VAL A 42 -2.755 -0.499 -9.025 1.00 0.00 C ATOM 603 CG1 VAL A 42 -2.706 -1.638 -8.006 1.00 0.00 C ATOM 604 CG2 VAL A 42 -3.090 -1.064 -10.396 1.00 0.00 C ATOM 0 H VAL A 42 -3.395 -0.015 -6.627 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.612 1.478 -9.169 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.779 -0.014 -9.049 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.954 -2.366 -8.310 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.448 -1.238 -7.025 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.681 -2.123 -7.955 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.344 -1.808 -10.675 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.075 -1.531 -10.367 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.092 -0.259 -11.131 1.00 0.00 H new ATOM 614 N GLU A 43 -6.038 -0.265 -8.052 1.00 0.00 N ATOM 615 CA GLU A 43 -7.417 -0.692 -8.373 1.00 0.00 C ATOM 616 C GLU A 43 -8.338 0.526 -8.288 1.00 0.00 C ATOM 617 O GLU A 43 -9.452 0.513 -8.771 1.00 0.00 O ATOM 618 CB GLU A 43 -7.882 -1.751 -7.370 1.00 0.00 C ATOM 619 CG GLU A 43 -7.568 -1.335 -5.956 1.00 0.00 C ATOM 620 CD GLU A 43 -8.875 -1.137 -5.185 1.00 0.00 C ATOM 621 OE1 GLU A 43 -9.481 -2.132 -4.823 1.00 0.00 O ATOM 622 OE2 GLU A 43 -9.246 0.004 -4.970 1.00 0.00 O ATOM 0 H GLU A 43 -5.802 -0.272 -7.060 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.446 -1.117 -9.376 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.955 -1.910 -7.476 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.396 -2.702 -7.589 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.956 -2.094 -5.469 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.989 -0.411 -5.956 1.00 0.00 H new ATOM 629 N SER A 44 -7.880 1.573 -7.656 1.00 0.00 N ATOM 630 CA SER A 44 -8.728 2.792 -7.514 1.00 0.00 C ATOM 631 C SER A 44 -8.241 3.885 -8.469 1.00 0.00 C ATOM 632 O SER A 44 -8.404 5.061 -8.213 1.00 0.00 O ATOM 633 CB SER A 44 -8.639 3.301 -6.075 1.00 0.00 C ATOM 634 OG SER A 44 -9.125 4.636 -6.017 1.00 0.00 O ATOM 0 H SER A 44 -6.955 1.637 -7.232 1.00 0.00 H new ATOM 0 HA SER A 44 -9.761 2.541 -7.757 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.223 2.660 -5.414 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.607 3.262 -5.727 1.00 0.00 H new ATOM 0 HG SER A 44 -9.538 4.871 -6.874 1.00 0.00 H new ATOM 640 N ASN A 45 -7.643 3.512 -9.567 1.00 0.00 N ATOM 641 CA ASN A 45 -7.150 4.537 -10.527 1.00 0.00 C ATOM 642 C ASN A 45 -5.968 5.286 -9.906 1.00 0.00 C ATOM 643 O ASN A 45 -5.511 6.284 -10.424 1.00 0.00 O ATOM 644 CB ASN A 45 -8.267 5.537 -10.840 1.00 0.00 C ATOM 645 CG ASN A 45 -8.729 5.352 -12.288 1.00 0.00 C ATOM 646 OD1 ASN A 45 -7.999 5.649 -13.212 1.00 0.00 O ATOM 647 ND2 ASN A 45 -9.919 4.873 -12.524 1.00 0.00 N ATOM 0 H ASN A 45 -7.475 2.544 -9.840 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.836 4.044 -11.447 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -9.104 5.388 -10.158 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.910 6.556 -10.689 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.237 4.748 -13.485 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -10.532 4.624 -11.748 1.00 0.00 H new ATOM 654 N GLY A 46 -5.477 4.812 -8.793 1.00 0.00 N ATOM 655 CA GLY A 46 -4.330 5.494 -8.129 1.00 0.00 C ATOM 656 C GLY A 46 -4.811 6.787 -7.477 1.00 0.00 C ATOM 657 O GLY A 46 -4.024 7.626 -7.085 1.00 0.00 O ATOM 0 H GLY A 46 -5.822 3.980 -8.314 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.889 4.838 -7.378 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.551 5.711 -8.859 1.00 0.00 H new ATOM 661 N THR A 47 -6.097 6.951 -7.342 1.00 0.00 N ATOM 662 CA THR A 47 -6.623 8.182 -6.698 1.00 0.00 C ATOM 663 C THR A 47 -6.507 8.031 -5.180 1.00 0.00 C ATOM 664 O THR A 47 -6.658 8.980 -4.436 1.00 0.00 O ATOM 665 CB THR A 47 -8.093 8.379 -7.090 1.00 0.00 C ATOM 666 OG1 THR A 47 -8.511 9.698 -6.753 1.00 0.00 O ATOM 667 CG2 THR A 47 -8.962 7.363 -6.348 1.00 0.00 C ATOM 0 H THR A 47 -6.805 6.285 -7.650 1.00 0.00 H new ATOM 0 HA THR A 47 -6.050 9.049 -7.027 1.00 0.00 H new ATOM 0 HB THR A 47 -8.199 8.232 -8.165 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.107 9.961 -5.900 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.006 7.504 -6.628 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.649 6.353 -6.614 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.852 7.506 -5.273 1.00 0.00 H new ATOM 675 N LEU A 48 -6.238 6.838 -4.716 1.00 0.00 N ATOM 676 CA LEU A 48 -6.110 6.609 -3.267 1.00 0.00 C ATOM 677 C LEU A 48 -4.726 7.058 -2.795 1.00 0.00 C ATOM 678 O LEU A 48 -3.711 6.579 -3.259 1.00 0.00 O ATOM 679 CB LEU A 48 -6.283 5.107 -3.006 1.00 0.00 C ATOM 680 CG LEU A 48 -5.746 4.749 -1.624 1.00 0.00 C ATOM 681 CD1 LEU A 48 -6.912 4.428 -0.708 1.00 0.00 C ATOM 682 CD2 LEU A 48 -4.829 3.530 -1.725 1.00 0.00 C ATOM 0 H LEU A 48 -6.102 6.010 -5.296 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.866 7.177 -2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.337 4.837 -3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.756 4.534 -3.769 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.180 5.590 -1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.537 4.171 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.566 5.297 -0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.472 3.585 -1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.448 3.278 -0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.390 2.685 -2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.994 3.757 -2.388 1.00 0.00 H new ATOM 694 N THR A 49 -4.689 7.939 -1.841 1.00 0.00 N ATOM 695 CA THR A 49 -3.387 8.390 -1.285 1.00 0.00 C ATOM 696 C THR A 49 -3.356 7.953 0.172 1.00 0.00 C ATOM 697 O THR A 49 -4.388 7.766 0.779 1.00 0.00 O ATOM 698 CB THR A 49 -3.272 9.914 -1.379 1.00 0.00 C ATOM 699 OG1 THR A 49 -3.852 10.503 -0.224 1.00 0.00 O ATOM 700 CG2 THR A 49 -4.003 10.408 -2.629 1.00 0.00 C ATOM 0 H THR A 49 -5.511 8.370 -1.418 1.00 0.00 H new ATOM 0 HA THR A 49 -2.555 7.959 -1.841 1.00 0.00 H new ATOM 0 HB THR A 49 -2.221 10.196 -1.442 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.778 11.478 -0.282 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.920 11.493 -2.694 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.556 9.956 -3.514 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.055 10.127 -2.570 1.00 0.00 H new ATOM 708 N LEU A 50 -2.206 7.754 0.741 1.00 0.00 N ATOM 709 CA LEU A 50 -2.181 7.296 2.147 1.00 0.00 C ATOM 710 C LEU A 50 -1.872 8.471 3.078 1.00 0.00 C ATOM 711 O LEU A 50 -1.607 9.571 2.634 1.00 0.00 O ATOM 712 CB LEU A 50 -1.166 6.141 2.257 1.00 0.00 C ATOM 713 CG LEU A 50 0.081 6.496 3.076 1.00 0.00 C ATOM 714 CD1 LEU A 50 0.472 5.267 3.876 1.00 0.00 C ATOM 715 CD2 LEU A 50 1.231 6.870 2.136 1.00 0.00 C ATOM 0 H LEU A 50 -1.296 7.887 0.300 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.154 6.917 2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.656 5.280 2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.859 5.841 1.255 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.126 7.340 3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.358 5.487 4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.348 4.987 4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.687 4.443 3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.114 7.121 2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.457 6.026 1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.941 7.729 1.531 1.00 0.00 H new ATOM 727 N SER A 51 -1.912 8.254 4.368 1.00 0.00 N ATOM 728 CA SER A 51 -1.632 9.357 5.311 1.00 0.00 C ATOM 729 C SER A 51 -0.362 9.042 6.096 1.00 0.00 C ATOM 730 O SER A 51 0.462 9.902 6.335 1.00 0.00 O ATOM 731 CB SER A 51 -2.788 9.508 6.304 1.00 0.00 C ATOM 732 OG SER A 51 -3.503 10.704 6.025 1.00 0.00 O ATOM 0 H SER A 51 -2.128 7.356 4.801 1.00 0.00 H new ATOM 0 HA SER A 51 -1.511 10.280 4.744 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.455 8.649 6.234 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.404 9.531 7.324 1.00 0.00 H new ATOM 0 HG SER A 51 -4.243 10.798 6.660 1.00 0.00 H new ATOM 738 N HIS A 52 -0.204 7.816 6.521 1.00 0.00 N ATOM 739 CA HIS A 52 1.003 7.465 7.312 1.00 0.00 C ATOM 740 C HIS A 52 1.344 5.984 7.139 1.00 0.00 C ATOM 741 O HIS A 52 0.484 5.121 7.186 1.00 0.00 O ATOM 742 CB HIS A 52 0.724 7.755 8.787 1.00 0.00 C ATOM 743 CG HIS A 52 -0.381 6.858 9.282 1.00 0.00 C ATOM 744 ND1 HIS A 52 -0.244 6.085 10.424 1.00 0.00 N ATOM 745 CD2 HIS A 52 -1.654 6.609 8.814 1.00 0.00 C ATOM 746 CE1 HIS A 52 -1.397 5.418 10.607 1.00 0.00 C ATOM 747 NE2 HIS A 52 -2.290 5.702 9.657 1.00 0.00 N ATOM 0 H HIS A 52 -0.856 7.050 6.354 1.00 0.00 H new ATOM 0 HA HIS A 52 1.848 8.058 6.963 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.627 7.594 9.376 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.442 8.800 8.915 1.00 0.00 H new ATOM 0 HD1 HIS A 52 0.583 6.032 11.019 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -2.090 7.050 7.930 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.578 4.735 11.424 1.00 0.00 H new ATOM 755 N PHE A 53 2.600 5.682 6.948 1.00 0.00 N ATOM 756 CA PHE A 53 3.012 4.265 6.785 1.00 0.00 C ATOM 757 C PHE A 53 2.954 3.564 8.143 1.00 0.00 C ATOM 758 O PHE A 53 3.718 3.857 9.041 1.00 0.00 O ATOM 759 CB PHE A 53 4.441 4.201 6.250 1.00 0.00 C ATOM 760 CG PHE A 53 4.540 4.976 4.956 1.00 0.00 C ATOM 761 CD1 PHE A 53 4.715 6.365 4.981 1.00 0.00 C ATOM 762 CD2 PHE A 53 4.452 4.305 3.731 1.00 0.00 C ATOM 763 CE1 PHE A 53 4.803 7.081 3.782 1.00 0.00 C ATOM 764 CE2 PHE A 53 4.539 5.023 2.531 1.00 0.00 C ATOM 765 CZ PHE A 53 4.715 6.410 2.556 1.00 0.00 C ATOM 0 H PHE A 53 3.359 6.361 6.898 1.00 0.00 H new ATOM 0 HA PHE A 53 2.339 3.772 6.083 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.133 4.613 6.985 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.731 3.163 6.086 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.782 6.884 5.926 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.317 3.234 3.711 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.939 8.152 3.802 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.470 4.505 1.586 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.783 6.963 1.631 1.00 0.00 H new ATOM 775 N GLY A 54 2.047 2.645 8.296 1.00 0.00 N ATOM 776 CA GLY A 54 1.913 1.920 9.579 1.00 0.00 C ATOM 777 C GLY A 54 0.451 1.545 9.773 1.00 0.00 C ATOM 778 O GLY A 54 -0.384 1.801 8.931 1.00 0.00 O ATOM 0 H GLY A 54 1.384 2.363 7.574 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.536 1.026 9.575 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.256 2.544 10.404 1.00 0.00 H new ATOM 782 N LYS A 55 0.139 0.954 10.878 1.00 0.00 N ATOM 783 CA LYS A 55 -1.230 0.567 11.169 1.00 0.00 C ATOM 784 C LYS A 55 -1.960 1.802 11.706 1.00 0.00 C ATOM 785 O LYS A 55 -1.357 2.698 12.262 1.00 0.00 O ATOM 786 CB LYS A 55 -1.147 -0.530 12.216 1.00 0.00 C ATOM 787 CG LYS A 55 -2.486 -0.683 12.861 1.00 0.00 C ATOM 788 CD LYS A 55 -2.909 -2.153 12.865 1.00 0.00 C ATOM 789 CE LYS A 55 -3.065 -2.639 14.306 1.00 0.00 C ATOM 790 NZ LYS A 55 -3.440 -4.081 14.306 1.00 0.00 N ATOM 0 H LYS A 55 0.810 0.720 11.610 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.772 0.203 10.296 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.841 -1.469 11.755 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.394 -0.282 12.964 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.450 -0.305 13.883 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.225 -0.086 12.326 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.849 -2.273 12.327 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.165 -2.757 12.346 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.133 -2.495 14.853 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.829 -2.054 14.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.546 -4.412 15.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.339 -4.206 13.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.696 -4.633 13.833 1.00 0.00 H new ATOM 804 N CYS A 56 -3.235 1.883 11.486 1.00 0.00 N ATOM 805 CA CYS A 56 -3.992 3.081 11.913 1.00 0.00 C ATOM 806 C CYS A 56 -4.384 2.945 13.385 1.00 0.00 C ATOM 807 O CYS A 56 -3.684 3.499 14.218 1.00 0.00 O ATOM 808 CB CYS A 56 -5.254 3.225 11.050 1.00 0.00 C ATOM 809 SG CYS A 56 -5.000 2.536 9.381 1.00 0.00 S ATOM 810 OXT CYS A 56 -5.374 2.286 13.656 1.00 0.00 O ATOM 0 H CYS A 56 -3.791 1.163 11.024 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.368 3.966 11.790 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -6.087 2.715 11.533 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.526 4.278 10.973 1.00 0.00 H new TER 815 CYS A 56