USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 743 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 67 ASN : amide:sc= -0.856 K(o=-0.86,f=-5.3!) USER MOD Set 1.2: A 69 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 15 THR OG1 : rot 64:sc= 1.01 USER MOD Set 2.2: A 19 MET CE :methyl -147:sc= 0 (180deg=0) USER MOD Set 2.3: A 53 GLN : amide:sc= 0.526 K(o=1.5,f=-1.5) USER MOD Set 2.4: A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0429 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.2) USER MOD Single : A 11 SER OG : rot 120:sc= -0.214 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.00405 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 31:sc= -1.47 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.031 USER MOD Single : A 47 THR OG1 : rot -11:sc= 0.308 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -2.09 X(o=-2.1,f=-2.2) USER MOD Single : A 74 GLN : amide:sc= -1.01 K(o=-1,f=-1.6) USER MOD Single : A 75 TYR OH : rot 61:sc= 0.366 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot -122:sc= -1.11 USER MOD Single : A 81 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.322) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.18 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0.0478 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.104 -36.024 12.926 1.00 0.00 N ATOM 2 CA GLY A 1 18.804 -36.750 12.888 1.00 0.00 C ATOM 3 C GLY A 1 18.169 -36.731 11.512 1.00 0.00 C ATOM 4 O GLY A 1 18.486 -35.874 10.686 1.00 0.00 O ATOM 0 H1 GLY A 1 20.876 -36.703 13.080 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.252 -35.530 12.023 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.092 -35.331 13.702 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.959 -37.783 13.199 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.119 -36.300 13.607 1.00 0.00 H new ATOM 10 N SER A 2 17.269 -37.678 11.265 1.00 0.00 N ATOM 11 CA SER A 2 16.588 -37.766 9.978 1.00 0.00 C ATOM 12 C SER A 2 15.392 -38.708 10.060 1.00 0.00 C ATOM 13 O SER A 2 15.205 -39.406 11.057 1.00 0.00 O ATOM 14 CB SER A 2 17.557 -38.246 8.895 1.00 0.00 C ATOM 15 OG SER A 2 17.357 -37.540 7.683 1.00 0.00 O ATOM 0 H SER A 2 16.995 -38.394 11.938 1.00 0.00 H new ATOM 0 HA SER A 2 16.228 -36.771 9.717 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.584 -38.109 9.234 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.418 -39.314 8.725 1.00 0.00 H new ATOM 0 HG SER A 2 17.989 -37.864 7.008 1.00 0.00 H new ATOM 21 N SER A 3 14.583 -38.724 9.006 1.00 0.00 N ATOM 22 CA SER A 3 13.404 -39.580 8.959 1.00 0.00 C ATOM 23 C SER A 3 13.590 -40.708 7.948 1.00 0.00 C ATOM 24 O SER A 3 13.129 -41.829 8.160 1.00 0.00 O ATOM 25 CB SER A 3 12.164 -38.759 8.601 1.00 0.00 C ATOM 26 OG SER A 3 11.854 -37.830 9.625 1.00 0.00 O ATOM 0 H SER A 3 14.723 -38.153 8.172 1.00 0.00 H new ATOM 0 HA SER A 3 13.267 -40.020 9.947 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.333 -38.229 7.664 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.316 -39.425 8.442 1.00 0.00 H new ATOM 0 HG SER A 3 11.059 -37.317 9.371 1.00 0.00 H new ATOM 32 N GLY A 4 14.269 -40.401 6.847 1.00 0.00 N ATOM 33 CA GLY A 4 14.504 -41.398 5.819 1.00 0.00 C ATOM 34 C GLY A 4 14.826 -40.780 4.473 1.00 0.00 C ATOM 35 O GLY A 4 15.866 -41.071 3.881 1.00 0.00 O ATOM 0 H GLY A 4 14.660 -39.480 6.649 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.327 -42.043 6.125 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.622 -42.031 5.723 1.00 0.00 H new ATOM 39 N SER A 5 13.932 -39.924 3.988 1.00 0.00 N ATOM 40 CA SER A 5 14.125 -39.262 2.703 1.00 0.00 C ATOM 41 C SER A 5 14.047 -37.746 2.855 1.00 0.00 C ATOM 42 O SER A 5 13.866 -37.232 3.958 1.00 0.00 O ATOM 43 CB SER A 5 13.078 -39.741 1.697 1.00 0.00 C ATOM 44 OG SER A 5 11.786 -39.776 2.282 1.00 0.00 O ATOM 0 H SER A 5 13.067 -39.673 4.466 1.00 0.00 H new ATOM 0 HA SER A 5 15.117 -39.521 2.334 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.071 -39.078 0.832 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.344 -40.734 1.336 1.00 0.00 H new ATOM 0 HG SER A 5 11.134 -40.084 1.618 1.00 0.00 H new ATOM 50 N SER A 6 14.185 -37.038 1.739 1.00 0.00 N ATOM 51 CA SER A 6 14.130 -35.579 1.749 1.00 0.00 C ATOM 52 C SER A 6 13.575 -35.049 0.431 1.00 0.00 C ATOM 53 O SER A 6 13.662 -35.710 -0.603 1.00 0.00 O ATOM 54 CB SER A 6 15.522 -34.997 2.001 1.00 0.00 C ATOM 55 OG SER A 6 16.500 -35.652 1.211 1.00 0.00 O ATOM 0 H SER A 6 14.335 -37.449 0.818 1.00 0.00 H new ATOM 0 HA SER A 6 13.464 -35.270 2.555 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.520 -33.931 1.773 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.776 -35.097 3.056 1.00 0.00 H new ATOM 0 HG SER A 6 17.380 -35.260 1.389 1.00 0.00 H new ATOM 61 N GLY A 7 13.004 -33.849 0.477 1.00 0.00 N ATOM 62 CA GLY A 7 12.443 -33.248 -0.719 1.00 0.00 C ATOM 63 C GLY A 7 11.882 -31.864 -0.464 1.00 0.00 C ATOM 64 O GLY A 7 12.627 -30.885 -0.409 1.00 0.00 O ATOM 0 H GLY A 7 12.920 -33.283 1.321 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.214 -33.188 -1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.653 -33.891 -1.109 1.00 0.00 H new ATOM 68 N LEU A 8 10.564 -31.780 -0.308 1.00 0.00 N ATOM 69 CA LEU A 8 9.903 -30.505 -0.057 1.00 0.00 C ATOM 70 C LEU A 8 8.436 -30.715 0.309 1.00 0.00 C ATOM 71 O LEU A 8 7.544 -30.486 -0.508 1.00 0.00 O ATOM 72 CB LEU A 8 10.012 -29.601 -1.287 1.00 0.00 C ATOM 73 CG LEU A 8 9.670 -28.130 -1.042 1.00 0.00 C ATOM 74 CD1 LEU A 8 10.928 -27.335 -0.728 1.00 0.00 C ATOM 75 CD2 LEU A 8 8.951 -27.541 -2.246 1.00 0.00 C ATOM 0 H LEU A 8 9.933 -32.580 -0.351 1.00 0.00 H new ATOM 0 HA LEU A 8 10.402 -30.023 0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.029 -29.662 -1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.351 -29.988 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 8 9.003 -28.071 -0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.665 -26.291 -0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.402 -27.741 0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.620 -27.402 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.716 -26.494 -2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.593 -27.613 -3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.028 -28.093 -2.425 1.00 0.00 H new ATOM 87 N PRO A 9 8.167 -31.153 1.551 1.00 0.00 N ATOM 88 CA PRO A 9 6.799 -31.393 2.024 1.00 0.00 C ATOM 89 C PRO A 9 6.025 -30.095 2.237 1.00 0.00 C ATOM 90 O PRO A 9 4.868 -29.977 1.832 1.00 0.00 O ATOM 91 CB PRO A 9 7.006 -32.116 3.355 1.00 0.00 C ATOM 92 CG PRO A 9 8.345 -31.662 3.827 1.00 0.00 C ATOM 93 CD PRO A 9 9.171 -31.449 2.590 1.00 0.00 C ATOM 0 HA PRO A 9 6.211 -31.961 1.303 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.225 -31.859 4.071 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.977 -33.198 3.227 1.00 0.00 H new ATOM 0 HG2 PRO A 9 8.263 -30.741 4.405 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.802 -32.407 4.478 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.874 -30.626 2.714 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.757 -32.334 2.341 1.00 0.00 H new ATOM 101 N ASN A 10 6.671 -29.125 2.874 1.00 0.00 N ATOM 102 CA ASN A 10 6.044 -27.836 3.140 1.00 0.00 C ATOM 103 C ASN A 10 7.075 -26.712 3.104 1.00 0.00 C ATOM 104 O ASN A 10 8.236 -26.909 3.461 1.00 0.00 O ATOM 105 CB ASN A 10 5.343 -27.857 4.500 1.00 0.00 C ATOM 106 CG ASN A 10 4.098 -28.721 4.495 1.00 0.00 C ATOM 107 OD1 ASN A 10 3.168 -28.486 3.724 1.00 0.00 O ATOM 108 ND2 ASN A 10 4.074 -29.730 5.358 1.00 0.00 N ATOM 0 H ASN A 10 7.629 -29.207 3.216 1.00 0.00 H new ATOM 0 HA ASN A 10 5.305 -27.652 2.361 1.00 0.00 H new ATOM 0 HB2 ASN A 10 6.035 -28.226 5.257 1.00 0.00 H new ATOM 0 HB3 ASN A 10 5.074 -26.839 4.783 1.00 0.00 H new ATOM 0 HD21 ASN A 10 3.262 -30.346 5.400 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.867 -29.889 5.979 1.00 0.00 H new ATOM 115 N SER A 11 6.642 -25.532 2.671 1.00 0.00 N ATOM 116 CA SER A 11 7.527 -24.376 2.588 1.00 0.00 C ATOM 117 C SER A 11 6.750 -23.080 2.788 1.00 0.00 C ATOM 118 O SER A 11 5.685 -22.886 2.202 1.00 0.00 O ATOM 119 CB SER A 11 8.243 -24.352 1.236 1.00 0.00 C ATOM 120 OG SER A 11 8.937 -25.565 1.004 1.00 0.00 O ATOM 0 H SER A 11 5.684 -25.352 2.372 1.00 0.00 H new ATOM 0 HA SER A 11 8.268 -24.460 3.383 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.517 -24.187 0.440 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.944 -23.517 1.207 1.00 0.00 H new ATOM 0 HG SER A 11 8.589 -25.991 0.193 1.00 0.00 H new ATOM 126 N ASP A 12 7.289 -22.196 3.622 1.00 0.00 N ATOM 127 CA ASP A 12 6.646 -20.917 3.899 1.00 0.00 C ATOM 128 C ASP A 12 7.417 -19.769 3.256 1.00 0.00 C ATOM 129 O ASP A 12 8.178 -19.069 3.924 1.00 0.00 O ATOM 130 CB ASP A 12 6.540 -20.693 5.409 1.00 0.00 C ATOM 131 CG ASP A 12 5.278 -21.293 5.996 1.00 0.00 C ATOM 132 OD1 ASP A 12 4.859 -22.371 5.525 1.00 0.00 O ATOM 133 OD2 ASP A 12 4.710 -20.686 6.928 1.00 0.00 O ATOM 0 H ASP A 12 8.169 -22.342 4.117 1.00 0.00 H new ATOM 0 HA ASP A 12 5.644 -20.942 3.470 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.409 -21.130 5.900 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.561 -19.623 5.617 1.00 0.00 H new ATOM 138 N HIS A 13 7.214 -19.582 1.956 1.00 0.00 N ATOM 139 CA HIS A 13 7.891 -18.518 1.222 1.00 0.00 C ATOM 140 C HIS A 13 7.358 -17.149 1.634 1.00 0.00 C ATOM 141 O HIS A 13 6.387 -16.653 1.064 1.00 0.00 O ATOM 142 CB HIS A 13 7.714 -18.716 -0.284 1.00 0.00 C ATOM 143 CG HIS A 13 8.786 -19.553 -0.908 1.00 0.00 C ATOM 144 ND1 HIS A 13 9.931 -19.039 -1.473 1.00 0.00 N ATOM 145 CD2 HIS A 13 8.872 -20.901 -1.048 1.00 0.00 C ATOM 146 CE1 HIS A 13 10.661 -20.065 -1.930 1.00 0.00 C ATOM 147 NE2 HIS A 13 10.063 -21.217 -1.697 1.00 0.00 N ATOM 0 H HIS A 13 6.587 -20.153 1.389 1.00 0.00 H new ATOM 0 HA HIS A 13 8.953 -18.562 1.464 1.00 0.00 H new ATOM 0 HB2 HIS A 13 6.746 -19.182 -0.469 1.00 0.00 H new ATOM 0 HB3 HIS A 13 7.696 -17.741 -0.771 1.00 0.00 H new ATOM 0 HD2 HIS A 13 8.135 -21.614 -0.710 1.00 0.00 H new ATOM 0 HE1 HIS A 13 11.615 -19.962 -2.425 1.00 0.00 H new ATOM 0 HE2 HIS A 13 10.403 -22.147 -1.942 1.00 0.00 H new ATOM 155 N THR A 14 8.002 -16.543 2.627 1.00 0.00 N ATOM 156 CA THR A 14 7.593 -15.231 3.114 1.00 0.00 C ATOM 157 C THR A 14 8.806 -14.339 3.360 1.00 0.00 C ATOM 158 O THR A 14 9.909 -14.829 3.604 1.00 0.00 O ATOM 159 CB THR A 14 6.779 -15.372 4.402 1.00 0.00 C ATOM 160 OG1 THR A 14 7.256 -16.456 5.179 1.00 0.00 O ATOM 161 CG2 THR A 14 5.304 -15.598 4.155 1.00 0.00 C ATOM 0 H THR A 14 8.808 -16.940 3.109 1.00 0.00 H new ATOM 0 HA THR A 14 6.971 -14.765 2.349 1.00 0.00 H new ATOM 0 HB THR A 14 6.902 -14.425 4.928 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.724 -16.530 5.999 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.785 -15.689 5.109 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.895 -14.755 3.599 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.168 -16.513 3.579 1.00 0.00 H new ATOM 169 N THR A 15 8.594 -13.029 3.294 1.00 0.00 N ATOM 170 CA THR A 15 9.671 -12.070 3.510 1.00 0.00 C ATOM 171 C THR A 15 9.113 -10.678 3.788 1.00 0.00 C ATOM 172 O THR A 15 9.597 -9.683 3.248 1.00 0.00 O ATOM 173 CB THR A 15 10.597 -12.030 2.292 1.00 0.00 C ATOM 174 OG1 THR A 15 9.867 -12.250 1.099 1.00 0.00 O ATOM 175 CG2 THR A 15 11.706 -13.057 2.349 1.00 0.00 C ATOM 0 H THR A 15 7.687 -12.607 3.093 1.00 0.00 H new ATOM 0 HA THR A 15 10.242 -12.391 4.381 1.00 0.00 H new ATOM 0 HB THR A 15 11.044 -11.036 2.303 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.230 -11.517 0.966 1.00 0.00 H new ATOM 0 HG21 THR A 15 12.325 -12.974 1.456 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.319 -12.882 3.233 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.274 -14.056 2.400 1.00 0.00 H new ATOM 183 N SER A 16 8.089 -10.615 4.635 1.00 0.00 N ATOM 184 CA SER A 16 7.464 -9.346 4.985 1.00 0.00 C ATOM 185 C SER A 16 8.306 -8.587 6.007 1.00 0.00 C ATOM 186 O SER A 16 8.393 -7.360 5.966 1.00 0.00 O ATOM 187 CB SER A 16 6.058 -9.582 5.541 1.00 0.00 C ATOM 188 OG SER A 16 5.502 -10.781 5.028 1.00 0.00 O ATOM 0 H SER A 16 7.676 -11.429 5.091 1.00 0.00 H new ATOM 0 HA SER A 16 7.393 -8.743 4.080 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.097 -9.632 6.629 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.415 -8.740 5.284 1.00 0.00 H new ATOM 0 HG SER A 16 4.604 -10.910 5.399 1.00 0.00 H new ATOM 194 N ARG A 17 8.923 -9.326 6.922 1.00 0.00 N ATOM 195 CA ARG A 17 9.758 -8.725 7.955 1.00 0.00 C ATOM 196 C ARG A 17 11.235 -8.813 7.582 1.00 0.00 C ATOM 197 O ARG A 17 12.099 -8.932 8.451 1.00 0.00 O ATOM 198 CB ARG A 17 9.514 -9.411 9.302 1.00 0.00 C ATOM 199 CG ARG A 17 9.051 -8.460 10.394 1.00 0.00 C ATOM 200 CD ARG A 17 9.591 -8.870 11.755 1.00 0.00 C ATOM 201 NE ARG A 17 8.593 -8.710 12.810 1.00 0.00 N ATOM 202 CZ ARG A 17 8.259 -7.536 13.344 1.00 0.00 C ATOM 203 NH1 ARG A 17 8.841 -6.419 12.926 1.00 0.00 N ATOM 204 NH2 ARG A 17 7.341 -7.480 14.299 1.00 0.00 N ATOM 0 H ARG A 17 8.861 -10.343 6.969 1.00 0.00 H new ATOM 0 HA ARG A 17 9.488 -7.672 8.039 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.766 -10.193 9.172 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.434 -9.900 9.623 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.381 -7.448 10.160 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.962 -8.441 10.424 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.916 -9.910 11.718 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.469 -8.270 11.993 1.00 0.00 H new ATOM 0 HE ARG A 17 8.124 -9.546 13.158 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.548 -6.456 12.192 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.581 -5.523 13.339 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.891 -8.335 14.625 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.085 -6.581 14.708 1.00 0.00 H new ATOM 218 N ALA A 18 11.518 -8.756 6.283 1.00 0.00 N ATOM 219 CA ALA A 18 12.889 -8.831 5.795 1.00 0.00 C ATOM 220 C ALA A 18 13.184 -7.705 4.810 1.00 0.00 C ATOM 221 O ALA A 18 14.223 -7.051 4.894 1.00 0.00 O ATOM 222 CB ALA A 18 13.145 -10.182 5.146 1.00 0.00 C ATOM 0 H ALA A 18 10.815 -8.658 5.551 1.00 0.00 H new ATOM 0 HA ALA A 18 13.558 -8.717 6.648 1.00 0.00 H new ATOM 0 HB1 ALA A 18 14.173 -10.224 4.786 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.984 -10.974 5.878 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.461 -10.318 4.308 1.00 0.00 H new ATOM 228 N MET A 19 12.263 -7.484 3.878 1.00 0.00 N ATOM 229 CA MET A 19 12.424 -6.437 2.876 1.00 0.00 C ATOM 230 C MET A 19 12.539 -5.066 3.536 1.00 0.00 C ATOM 231 O MET A 19 13.374 -4.248 3.150 1.00 0.00 O ATOM 232 CB MET A 19 11.247 -6.450 1.901 1.00 0.00 C ATOM 233 CG MET A 19 11.166 -7.715 1.062 1.00 0.00 C ATOM 234 SD MET A 19 10.593 -7.400 -0.618 1.00 0.00 S ATOM 235 CE MET A 19 10.766 -9.027 -1.346 1.00 0.00 C ATOM 0 H MET A 19 11.397 -8.016 3.796 1.00 0.00 H new ATOM 0 HA MET A 19 13.344 -6.633 2.325 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.320 -6.336 2.462 1.00 0.00 H new ATOM 0 HB3 MET A 19 11.326 -5.589 1.238 1.00 0.00 H new ATOM 0 HG2 MET A 19 12.149 -8.185 1.024 1.00 0.00 H new ATOM 0 HG3 MET A 19 10.493 -8.424 1.544 1.00 0.00 H new ATOM 0 HE1 MET A 19 11.029 -8.928 -2.399 1.00 0.00 H new ATOM 0 HE2 MET A 19 11.550 -9.577 -0.826 1.00 0.00 H new ATOM 0 HE3 MET A 19 9.824 -9.568 -1.257 1.00 0.00 H new ATOM 245 N LEU A 20 11.694 -4.822 4.532 1.00 0.00 N ATOM 246 CA LEU A 20 11.701 -3.549 5.245 1.00 0.00 C ATOM 247 C LEU A 20 13.053 -3.306 5.909 1.00 0.00 C ATOM 248 O LEU A 20 13.548 -2.179 5.935 1.00 0.00 O ATOM 249 CB LEU A 20 10.592 -3.524 6.299 1.00 0.00 C ATOM 250 CG LEU A 20 9.169 -3.611 5.743 1.00 0.00 C ATOM 251 CD1 LEU A 20 8.216 -4.148 6.799 1.00 0.00 C ATOM 252 CD2 LEU A 20 8.708 -2.248 5.249 1.00 0.00 C ATOM 0 H LEU A 20 10.996 -5.488 4.864 1.00 0.00 H new ATOM 0 HA LEU A 20 11.522 -2.754 4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.748 -4.354 6.988 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.684 -2.606 6.879 1.00 0.00 H new ATOM 0 HG LEU A 20 9.169 -4.301 4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.209 -4.203 6.386 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.537 -5.143 7.106 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.218 -3.483 7.663 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.694 -2.327 4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.723 -1.537 6.075 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.376 -1.902 4.461 1.00 0.00 H new ATOM 264 N THR A 21 13.644 -4.369 6.443 1.00 0.00 N ATOM 265 CA THR A 21 14.939 -4.270 7.108 1.00 0.00 C ATOM 266 C THR A 21 16.064 -4.132 6.087 1.00 0.00 C ATOM 267 O THR A 21 16.984 -3.332 6.266 1.00 0.00 O ATOM 268 CB THR A 21 15.181 -5.497 7.992 1.00 0.00 C ATOM 269 OG1 THR A 21 14.102 -6.411 7.893 1.00 0.00 O ATOM 270 CG2 THR A 21 15.355 -5.153 9.455 1.00 0.00 C ATOM 0 H THR A 21 13.248 -5.309 6.429 1.00 0.00 H new ATOM 0 HA THR A 21 14.930 -3.379 7.735 1.00 0.00 H new ATOM 0 HB THR A 21 16.107 -5.939 7.624 1.00 0.00 H new ATOM 0 HG1 THR A 21 14.278 -7.188 8.464 1.00 0.00 H new ATOM 0 HG21 THR A 21 15.523 -6.066 10.026 1.00 0.00 H new ATOM 0 HG22 THR A 21 16.211 -4.489 9.573 1.00 0.00 H new ATOM 0 HG23 THR A 21 14.457 -4.656 9.821 1.00 0.00 H new ATOM 278 N SER A 22 15.984 -4.914 5.015 1.00 0.00 N ATOM 279 CA SER A 22 16.995 -4.877 3.965 1.00 0.00 C ATOM 280 C SER A 22 17.032 -3.510 3.292 1.00 0.00 C ATOM 281 O SER A 22 18.096 -2.907 3.147 1.00 0.00 O ATOM 282 CB SER A 22 16.720 -5.965 2.924 1.00 0.00 C ATOM 283 OG SER A 22 17.133 -7.237 3.393 1.00 0.00 O ATOM 0 H SER A 22 15.230 -5.581 4.851 1.00 0.00 H new ATOM 0 HA SER A 22 17.966 -5.061 4.424 1.00 0.00 H new ATOM 0 HB2 SER A 22 15.656 -5.988 2.690 1.00 0.00 H new ATOM 0 HB3 SER A 22 17.244 -5.728 1.998 1.00 0.00 H new ATOM 0 HG SER A 22 16.945 -7.914 2.710 1.00 0.00 H new ATOM 289 N LEU A 23 15.865 -3.026 2.882 1.00 0.00 N ATOM 290 CA LEU A 23 15.764 -1.729 2.224 1.00 0.00 C ATOM 291 C LEU A 23 15.818 -0.596 3.243 1.00 0.00 C ATOM 292 O LEU A 23 16.307 0.495 2.948 1.00 0.00 O ATOM 293 CB LEU A 23 14.466 -1.643 1.418 1.00 0.00 C ATOM 294 CG LEU A 23 14.283 -2.739 0.366 1.00 0.00 C ATOM 295 CD1 LEU A 23 12.815 -3.114 0.236 1.00 0.00 C ATOM 296 CD2 LEU A 23 14.841 -2.287 -0.975 1.00 0.00 C ATOM 0 H LEU A 23 14.975 -3.513 2.994 1.00 0.00 H new ATOM 0 HA LEU A 23 16.612 -1.626 1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.624 -1.680 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 23 14.428 -0.674 0.921 1.00 0.00 H new ATOM 0 HG LEU A 23 14.835 -3.622 0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.704 -3.895 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.446 -3.479 1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.241 -2.237 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.703 -3.078 -1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.317 -1.390 -1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.904 -2.069 -0.872 1.00 0.00 H new ATOM 308 N GLY A 24 15.313 -0.861 4.443 1.00 0.00 N ATOM 309 CA GLY A 24 15.314 0.145 5.487 1.00 0.00 C ATOM 310 C GLY A 24 14.035 0.958 5.511 1.00 0.00 C ATOM 311 O GLY A 24 14.057 2.156 5.793 1.00 0.00 O ATOM 0 H GLY A 24 14.903 -1.756 4.711 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.451 -0.339 6.454 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.163 0.813 5.342 1.00 0.00 H new ATOM 315 N LEU A 25 12.915 0.305 5.213 1.00 0.00 N ATOM 316 CA LEU A 25 11.620 0.974 5.202 1.00 0.00 C ATOM 317 C LEU A 25 10.854 0.699 6.491 1.00 0.00 C ATOM 318 O LEU A 25 11.125 -0.279 7.188 1.00 0.00 O ATOM 319 CB LEU A 25 10.796 0.514 3.998 1.00 0.00 C ATOM 320 CG LEU A 25 11.434 0.785 2.634 1.00 0.00 C ATOM 321 CD1 LEU A 25 10.986 -0.256 1.620 1.00 0.00 C ATOM 322 CD2 LEU A 25 11.088 2.186 2.154 1.00 0.00 C ATOM 0 H LEU A 25 12.879 -0.686 4.976 1.00 0.00 H new ATOM 0 HA LEU A 25 11.794 2.047 5.127 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.613 -0.557 4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.825 1.007 4.032 1.00 0.00 H new ATOM 0 HG LEU A 25 12.517 0.716 2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.449 -0.048 0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.285 -1.247 1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.902 -0.220 1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.550 2.362 1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.006 2.283 2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.460 2.918 2.871 1.00 0.00 H new ATOM 334 N LYS A 26 9.899 1.567 6.802 1.00 0.00 N ATOM 335 CA LYS A 26 9.093 1.418 8.009 1.00 0.00 C ATOM 336 C LYS A 26 7.697 1.998 7.805 1.00 0.00 C ATOM 337 O LYS A 26 7.454 2.738 6.852 1.00 0.00 O ATOM 338 CB LYS A 26 9.780 2.103 9.193 1.00 0.00 C ATOM 339 CG LYS A 26 10.097 1.158 10.341 1.00 0.00 C ATOM 340 CD LYS A 26 11.362 1.578 11.072 1.00 0.00 C ATOM 341 CE LYS A 26 12.602 0.961 10.443 1.00 0.00 C ATOM 342 NZ LYS A 26 13.197 -0.096 11.306 1.00 0.00 N ATOM 0 H LYS A 26 9.663 2.382 6.235 1.00 0.00 H new ATOM 0 HA LYS A 26 8.994 0.354 8.224 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.705 2.566 8.848 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.140 2.905 9.560 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.261 1.139 11.040 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.216 0.145 9.958 1.00 0.00 H new ATOM 0 HD2 LYS A 26 11.448 2.665 11.057 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.296 1.278 12.118 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.343 0.535 9.474 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.342 1.740 10.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.039 -0.490 10.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 13.468 0.315 12.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.500 -0.852 11.459 1.00 0.00 H new ATOM 356 N LEU A 27 6.781 1.655 8.705 1.00 0.00 N ATOM 357 CA LEU A 27 5.410 2.142 8.625 1.00 0.00 C ATOM 358 C LEU A 27 5.345 3.638 8.914 1.00 0.00 C ATOM 359 O LEU A 27 5.704 4.086 10.003 1.00 0.00 O ATOM 360 CB LEU A 27 4.518 1.382 9.610 1.00 0.00 C ATOM 361 CG LEU A 27 4.450 -0.131 9.387 1.00 0.00 C ATOM 362 CD1 LEU A 27 4.434 -0.867 10.717 1.00 0.00 C ATOM 363 CD2 LEU A 27 3.225 -0.493 8.561 1.00 0.00 C ATOM 0 H LEU A 27 6.964 1.041 9.499 1.00 0.00 H new ATOM 0 HA LEU A 27 5.049 1.970 7.611 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.878 1.569 10.622 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.508 1.789 9.551 1.00 0.00 H new ATOM 0 HG LEU A 27 5.339 -0.438 8.836 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.385 -1.941 10.538 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.341 -0.633 11.274 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.564 -0.556 11.295 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.193 -1.572 8.412 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.325 -0.172 9.085 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.279 0.005 7.593 1.00 0.00 H new ATOM 375 N GLY A 28 4.886 4.406 7.931 1.00 0.00 N ATOM 376 CA GLY A 28 4.784 5.844 8.101 1.00 0.00 C ATOM 377 C GLY A 28 5.777 6.601 7.241 1.00 0.00 C ATOM 378 O GLY A 28 5.511 7.727 6.819 1.00 0.00 O ATOM 0 H GLY A 28 4.583 4.059 7.021 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.773 6.165 7.852 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.949 6.096 9.149 1.00 0.00 H new ATOM 382 N ASP A 29 6.924 5.983 6.980 1.00 0.00 N ATOM 383 CA ASP A 29 7.960 6.606 6.165 1.00 0.00 C ATOM 384 C ASP A 29 7.491 6.772 4.723 1.00 0.00 C ATOM 385 O ASP A 29 6.694 5.978 4.223 1.00 0.00 O ATOM 386 CB ASP A 29 9.241 5.771 6.204 1.00 0.00 C ATOM 387 CG ASP A 29 9.834 5.686 7.597 1.00 0.00 C ATOM 388 OD1 ASP A 29 9.974 6.744 8.248 1.00 0.00 O ATOM 389 OD2 ASP A 29 10.158 4.563 8.036 1.00 0.00 O ATOM 0 H ASP A 29 7.160 5.051 7.321 1.00 0.00 H new ATOM 0 HA ASP A 29 8.166 7.594 6.577 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.027 4.766 5.841 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.975 6.205 5.525 1.00 0.00 H new ATOM 394 N ARG A 30 7.992 7.809 4.058 1.00 0.00 N ATOM 395 CA ARG A 30 7.626 8.077 2.674 1.00 0.00 C ATOM 396 C ARG A 30 8.292 7.081 1.731 1.00 0.00 C ATOM 397 O ARG A 30 9.504 6.873 1.790 1.00 0.00 O ATOM 398 CB ARG A 30 8.019 9.505 2.288 1.00 0.00 C ATOM 399 CG ARG A 30 7.101 10.567 2.870 1.00 0.00 C ATOM 400 CD ARG A 30 6.038 10.995 1.870 1.00 0.00 C ATOM 401 NE ARG A 30 5.266 12.139 2.347 1.00 0.00 N ATOM 402 CZ ARG A 30 4.526 12.915 1.558 1.00 0.00 C ATOM 403 NH1 ARG A 30 4.455 12.673 0.255 1.00 0.00 N ATOM 404 NH2 ARG A 30 3.855 13.936 2.073 1.00 0.00 N ATOM 0 H ARG A 30 8.652 8.476 4.457 1.00 0.00 H new ATOM 0 HA ARG A 30 6.545 7.967 2.583 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.039 9.695 2.623 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.018 9.592 1.201 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.621 10.181 3.770 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.690 11.434 3.170 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.513 11.248 0.922 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.365 10.159 1.676 1.00 0.00 H new ATOM 0 HE ARG A 30 5.295 12.356 3.343 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.969 11.889 -0.147 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.886 13.271 -0.345 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.906 14.127 3.074 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.288 14.531 1.468 1.00 0.00 H new ATOM 418 N VAL A 31 7.494 6.470 0.863 1.00 0.00 N ATOM 419 CA VAL A 31 8.008 5.495 -0.092 1.00 0.00 C ATOM 420 C VAL A 31 7.705 5.918 -1.526 1.00 0.00 C ATOM 421 O VAL A 31 6.936 6.850 -1.759 1.00 0.00 O ATOM 422 CB VAL A 31 7.414 4.095 0.155 1.00 0.00 C ATOM 423 CG1 VAL A 31 7.823 3.577 1.526 1.00 0.00 C ATOM 424 CG2 VAL A 31 5.898 4.122 0.017 1.00 0.00 C ATOM 0 H VAL A 31 6.489 6.632 0.801 1.00 0.00 H new ATOM 0 HA VAL A 31 9.088 5.452 0.052 1.00 0.00 H new ATOM 0 HB VAL A 31 7.810 3.415 -0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.395 2.587 1.684 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.910 3.515 1.582 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.458 4.257 2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.499 3.124 0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.479 4.816 0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.630 4.446 -0.989 1.00 0.00 H new ATOM 434 N VAL A 32 8.317 5.228 -2.482 1.00 0.00 N ATOM 435 CA VAL A 32 8.113 5.533 -3.893 1.00 0.00 C ATOM 436 C VAL A 32 7.841 4.263 -4.695 1.00 0.00 C ATOM 437 O VAL A 32 8.688 3.374 -4.774 1.00 0.00 O ATOM 438 CB VAL A 32 9.335 6.260 -4.492 1.00 0.00 C ATOM 439 CG1 VAL A 32 10.571 5.375 -4.430 1.00 0.00 C ATOM 440 CG2 VAL A 32 9.052 6.697 -5.921 1.00 0.00 C ATOM 0 H VAL A 32 8.958 4.454 -2.306 1.00 0.00 H new ATOM 0 HA VAL A 32 7.245 6.189 -3.955 1.00 0.00 H new ATOM 0 HB VAL A 32 9.528 7.152 -3.897 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.421 5.907 -4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.786 5.122 -3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.393 4.461 -4.996 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.926 7.208 -6.325 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.828 5.822 -6.531 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.198 7.375 -5.932 1.00 0.00 H new ATOM 450 N ILE A 33 6.654 4.186 -5.287 1.00 0.00 N ATOM 451 CA ILE A 33 6.270 3.026 -6.082 1.00 0.00 C ATOM 452 C ILE A 33 6.997 3.016 -7.423 1.00 0.00 C ATOM 453 O ILE A 33 6.834 3.926 -8.235 1.00 0.00 O ATOM 454 CB ILE A 33 4.750 2.992 -6.335 1.00 0.00 C ATOM 455 CG1 ILE A 33 3.987 3.180 -5.023 1.00 0.00 C ATOM 456 CG2 ILE A 33 4.353 1.682 -7.000 1.00 0.00 C ATOM 457 CD1 ILE A 33 2.588 3.726 -5.212 1.00 0.00 C ATOM 0 H ILE A 33 5.941 4.913 -5.231 1.00 0.00 H new ATOM 0 HA ILE A 33 6.553 2.143 -5.509 1.00 0.00 H new ATOM 0 HB ILE A 33 4.491 3.812 -7.005 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.928 2.222 -4.506 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.549 3.856 -4.379 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.277 1.673 -7.172 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.874 1.585 -7.953 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.624 0.848 -6.352 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.105 3.834 -4.241 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.640 4.699 -5.701 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.010 3.039 -5.830 1.00 0.00 H new ATOM 469 N ALA A 34 7.799 1.980 -7.647 1.00 0.00 N ATOM 470 CA ALA A 34 8.552 1.851 -8.889 1.00 0.00 C ATOM 471 C ALA A 34 9.491 3.037 -9.090 1.00 0.00 C ATOM 472 O ALA A 34 9.834 3.384 -10.220 1.00 0.00 O ATOM 473 CB ALA A 34 7.602 1.723 -10.070 1.00 0.00 C ATOM 0 H ALA A 34 7.944 1.218 -6.985 1.00 0.00 H new ATOM 0 HA ALA A 34 9.159 0.948 -8.824 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.177 1.627 -10.991 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.976 0.840 -9.940 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.971 2.610 -10.127 1.00 0.00 H new ATOM 479 N GLY A 35 9.906 3.653 -7.987 1.00 0.00 N ATOM 480 CA GLY A 35 10.803 4.791 -8.065 1.00 0.00 C ATOM 481 C GLY A 35 10.248 5.915 -8.918 1.00 0.00 C ATOM 482 O GLY A 35 10.999 6.623 -9.588 1.00 0.00 O ATOM 0 H GLY A 35 9.637 3.384 -7.041 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.997 5.165 -7.060 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.760 4.467 -8.475 1.00 0.00 H new ATOM 486 N GLN A 36 8.929 6.077 -8.894 1.00 0.00 N ATOM 487 CA GLN A 36 8.274 7.123 -9.673 1.00 0.00 C ATOM 488 C GLN A 36 7.183 7.809 -8.857 1.00 0.00 C ATOM 489 O GLN A 36 7.336 8.956 -8.438 1.00 0.00 O ATOM 490 CB GLN A 36 7.678 6.536 -10.954 1.00 0.00 C ATOM 491 CG GLN A 36 8.681 6.409 -12.089 1.00 0.00 C ATOM 492 CD GLN A 36 8.574 7.541 -13.091 1.00 0.00 C ATOM 493 OE1 GLN A 36 8.350 8.693 -12.721 1.00 0.00 O ATOM 494 NE2 GLN A 36 8.734 7.218 -14.369 1.00 0.00 N ATOM 0 H GLN A 36 8.293 5.499 -8.345 1.00 0.00 H new ATOM 0 HA GLN A 36 9.025 7.868 -9.938 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.264 5.552 -10.734 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.850 7.165 -11.281 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.690 6.388 -11.677 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.526 5.459 -12.601 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.918 6.250 -14.631 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.673 7.938 -15.089 1.00 0.00 H new ATOM 503 N LYS A 37 6.081 7.099 -8.638 1.00 0.00 N ATOM 504 CA LYS A 37 4.963 7.640 -7.873 1.00 0.00 C ATOM 505 C LYS A 37 5.390 7.978 -6.448 1.00 0.00 C ATOM 506 O LYS A 37 6.321 7.378 -5.909 1.00 0.00 O ATOM 507 CB LYS A 37 3.804 6.643 -7.848 1.00 0.00 C ATOM 508 CG LYS A 37 3.252 6.316 -9.226 1.00 0.00 C ATOM 509 CD LYS A 37 2.265 5.162 -9.172 1.00 0.00 C ATOM 510 CE LYS A 37 0.941 5.589 -8.560 1.00 0.00 C ATOM 511 NZ LYS A 37 -0.218 4.935 -9.231 1.00 0.00 N ATOM 0 H LYS A 37 5.938 6.148 -8.979 1.00 0.00 H new ATOM 0 HA LYS A 37 4.633 8.557 -8.361 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.139 5.721 -7.372 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.001 7.047 -7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.761 7.197 -9.641 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.073 6.063 -9.897 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.095 4.780 -10.179 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.690 4.345 -8.588 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.934 5.340 -7.499 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.839 6.672 -8.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.102 5.252 -8.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.227 5.193 -10.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.135 3.902 -9.139 1.00 0.00 H new ATOM 525 N VAL A 38 4.702 8.941 -5.843 1.00 0.00 N ATOM 526 CA VAL A 38 5.009 9.360 -4.480 1.00 0.00 C ATOM 527 C VAL A 38 3.817 9.137 -3.556 1.00 0.00 C ATOM 528 O VAL A 38 2.669 9.346 -3.947 1.00 0.00 O ATOM 529 CB VAL A 38 5.417 10.844 -4.426 1.00 0.00 C ATOM 530 CG1 VAL A 38 5.919 11.213 -3.037 1.00 0.00 C ATOM 531 CG2 VAL A 38 6.469 11.147 -5.482 1.00 0.00 C ATOM 0 H VAL A 38 3.928 9.446 -6.275 1.00 0.00 H new ATOM 0 HA VAL A 38 5.847 8.750 -4.142 1.00 0.00 H new ATOM 0 HB VAL A 38 4.537 11.451 -4.639 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.202 12.265 -3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.129 11.038 -2.306 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.786 10.600 -2.789 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.745 12.200 -5.429 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.351 10.531 -5.304 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.066 10.927 -6.471 1.00 0.00 H new ATOM 541 N GLY A 39 4.099 8.713 -2.329 1.00 0.00 N ATOM 542 CA GLY A 39 3.039 8.470 -1.367 1.00 0.00 C ATOM 543 C GLY A 39 3.574 8.101 0.003 1.00 0.00 C ATOM 544 O GLY A 39 4.764 7.833 0.161 1.00 0.00 O ATOM 0 H GLY A 39 5.042 8.533 -1.983 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.417 9.361 -1.283 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.398 7.667 -1.732 1.00 0.00 H new ATOM 548 N THR A 40 2.690 8.088 0.996 1.00 0.00 N ATOM 549 CA THR A 40 3.080 7.750 2.361 1.00 0.00 C ATOM 550 C THR A 40 2.711 6.307 2.689 1.00 0.00 C ATOM 551 O THR A 40 1.544 5.921 2.617 1.00 0.00 O ATOM 552 CB THR A 40 2.410 8.699 3.355 1.00 0.00 C ATOM 553 OG1 THR A 40 2.055 9.917 2.724 1.00 0.00 O ATOM 554 CG2 THR A 40 3.286 9.037 4.542 1.00 0.00 C ATOM 0 H THR A 40 1.700 8.307 0.882 1.00 0.00 H new ATOM 0 HA THR A 40 4.162 7.857 2.441 1.00 0.00 H new ATOM 0 HB THR A 40 1.528 8.167 3.713 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.626 10.510 3.376 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.751 9.714 5.208 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.539 8.123 5.080 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.200 9.518 4.194 1.00 0.00 H new ATOM 562 N LEU A 41 3.714 5.514 3.053 1.00 0.00 N ATOM 563 CA LEU A 41 3.495 4.113 3.393 1.00 0.00 C ATOM 564 C LEU A 41 2.594 3.985 4.616 1.00 0.00 C ATOM 565 O LEU A 41 2.872 4.561 5.668 1.00 0.00 O ATOM 566 CB LEU A 41 4.832 3.415 3.654 1.00 0.00 C ATOM 567 CG LEU A 41 4.733 1.919 3.956 1.00 0.00 C ATOM 568 CD1 LEU A 41 4.261 1.157 2.727 1.00 0.00 C ATOM 569 CD2 LEU A 41 6.073 1.384 4.435 1.00 0.00 C ATOM 0 H LEU A 41 4.685 5.818 3.120 1.00 0.00 H new ATOM 0 HA LEU A 41 3.001 3.633 2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.473 3.553 2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.324 3.908 4.493 1.00 0.00 H new ATOM 0 HG LEU A 41 4.001 1.775 4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.196 0.094 2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.279 1.523 2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.969 1.307 1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.985 0.318 4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.825 1.540 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.371 1.910 5.342 1.00 0.00 H new ATOM 581 N ARG A 42 1.513 3.225 4.472 1.00 0.00 N ATOM 582 CA ARG A 42 0.570 3.021 5.566 1.00 0.00 C ATOM 583 C ARG A 42 0.566 1.563 6.015 1.00 0.00 C ATOM 584 O ARG A 42 0.475 1.271 7.207 1.00 0.00 O ATOM 585 CB ARG A 42 -0.838 3.439 5.137 1.00 0.00 C ATOM 586 CG ARG A 42 -0.920 4.870 4.634 1.00 0.00 C ATOM 587 CD ARG A 42 -0.732 5.872 5.762 1.00 0.00 C ATOM 588 NE ARG A 42 -1.702 6.963 5.693 1.00 0.00 N ATOM 589 CZ ARG A 42 -2.963 6.860 6.107 1.00 0.00 C ATOM 590 NH1 ARG A 42 -3.411 5.720 6.618 1.00 0.00 N ATOM 591 NH2 ARG A 42 -3.779 7.901 6.008 1.00 0.00 N ATOM 0 H ARG A 42 1.268 2.740 3.609 1.00 0.00 H new ATOM 0 HA ARG A 42 0.885 3.640 6.406 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.185 2.766 4.352 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.517 3.320 5.982 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.158 5.032 3.872 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.887 5.034 4.158 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.828 5.361 6.720 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.277 6.281 5.719 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.395 7.855 5.305 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.788 4.916 6.695 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.378 5.648 6.933 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.440 8.779 5.615 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.745 7.823 6.325 1.00 0.00 H new ATOM 605 N PHE A 43 0.663 0.653 5.052 1.00 0.00 N ATOM 606 CA PHE A 43 0.671 -0.776 5.348 1.00 0.00 C ATOM 607 C PHE A 43 1.712 -1.501 4.501 1.00 0.00 C ATOM 608 O PHE A 43 2.101 -1.024 3.435 1.00 0.00 O ATOM 609 CB PHE A 43 -0.714 -1.377 5.100 1.00 0.00 C ATOM 610 CG PHE A 43 -0.807 -2.834 5.452 1.00 0.00 C ATOM 611 CD1 PHE A 43 -0.842 -3.241 6.776 1.00 0.00 C ATOM 612 CD2 PHE A 43 -0.861 -3.798 4.457 1.00 0.00 C ATOM 613 CE1 PHE A 43 -0.928 -4.581 7.101 1.00 0.00 C ATOM 614 CE2 PHE A 43 -0.947 -5.140 4.776 1.00 0.00 C ATOM 615 CZ PHE A 43 -0.981 -5.531 6.101 1.00 0.00 C ATOM 0 H PHE A 43 0.737 0.879 4.060 1.00 0.00 H new ATOM 0 HA PHE A 43 0.932 -0.903 6.399 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.451 -0.823 5.682 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.974 -1.248 4.049 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.802 -2.502 7.563 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.836 -3.497 3.420 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.954 -4.885 8.137 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.988 -5.881 3.992 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.049 -6.579 6.354 1.00 0.00 H new ATOM 625 N CYS A 44 2.157 -2.656 4.983 1.00 0.00 N ATOM 626 CA CYS A 44 3.154 -3.448 4.270 1.00 0.00 C ATOM 627 C CYS A 44 3.028 -4.927 4.623 1.00 0.00 C ATOM 628 O CYS A 44 2.878 -5.286 5.790 1.00 0.00 O ATOM 629 CB CYS A 44 4.562 -2.951 4.600 1.00 0.00 C ATOM 630 SG CYS A 44 4.954 -2.963 6.365 1.00 0.00 S ATOM 0 H CYS A 44 1.844 -3.065 5.863 1.00 0.00 H new ATOM 0 HA CYS A 44 2.977 -3.332 3.201 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.287 -3.571 4.073 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.676 -1.936 4.220 1.00 0.00 H new ATOM 0 HG CYS A 44 4.305 -3.927 6.947 1.00 0.00 H new ATOM 636 N GLY A 45 3.090 -5.780 3.606 1.00 0.00 N ATOM 637 CA GLY A 45 2.984 -7.210 3.829 1.00 0.00 C ATOM 638 C GLY A 45 2.034 -7.879 2.854 1.00 0.00 C ATOM 639 O GLY A 45 1.570 -7.254 1.901 1.00 0.00 O ATOM 0 H GLY A 45 3.212 -5.506 2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.971 -7.663 3.739 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.642 -7.392 4.848 1.00 0.00 H new ATOM 643 N THR A 46 1.747 -9.155 3.092 1.00 0.00 N ATOM 644 CA THR A 46 0.848 -9.910 2.227 1.00 0.00 C ATOM 645 C THR A 46 -0.580 -9.388 2.339 1.00 0.00 C ATOM 646 O THR A 46 -0.962 -8.806 3.354 1.00 0.00 O ATOM 647 CB THR A 46 0.890 -11.396 2.586 1.00 0.00 C ATOM 648 OG1 THR A 46 0.943 -11.571 3.990 1.00 0.00 O ATOM 649 CG2 THR A 46 2.074 -12.122 1.986 1.00 0.00 C ATOM 0 H THR A 46 2.124 -9.687 3.876 1.00 0.00 H new ATOM 0 HA THR A 46 1.182 -9.783 1.197 1.00 0.00 H new ATOM 0 HB THR A 46 -0.024 -11.821 2.171 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.968 -12.528 4.200 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.044 -13.171 2.279 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.034 -12.048 0.899 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.998 -11.671 2.347 1.00 0.00 H new ATOM 657 N THR A 47 -1.365 -9.598 1.287 1.00 0.00 N ATOM 658 CA THR A 47 -2.753 -9.148 1.266 1.00 0.00 C ATOM 659 C THR A 47 -3.710 -10.335 1.273 1.00 0.00 C ATOM 660 O THR A 47 -3.285 -11.489 1.232 1.00 0.00 O ATOM 661 CB THR A 47 -3.008 -8.280 0.033 1.00 0.00 C ATOM 662 OG1 THR A 47 -2.794 -9.020 -1.156 1.00 0.00 O ATOM 663 CG2 THR A 47 -2.126 -7.051 -0.026 1.00 0.00 C ATOM 0 H THR A 47 -1.064 -10.077 0.438 1.00 0.00 H new ATOM 0 HA THR A 47 -2.932 -8.556 2.164 1.00 0.00 H new ATOM 0 HB THR A 47 -4.046 -7.959 0.116 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.367 -9.875 -0.937 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.358 -6.480 -0.925 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.305 -6.432 0.854 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.080 -7.355 -0.049 1.00 0.00 H new ATOM 671 N GLU A 48 -5.006 -10.043 1.325 1.00 0.00 N ATOM 672 CA GLU A 48 -6.025 -11.086 1.337 1.00 0.00 C ATOM 673 C GLU A 48 -6.777 -11.130 0.011 1.00 0.00 C ATOM 674 O GLU A 48 -7.957 -11.476 -0.035 1.00 0.00 O ATOM 675 CB GLU A 48 -7.008 -10.855 2.487 1.00 0.00 C ATOM 676 CG GLU A 48 -6.482 -11.311 3.838 1.00 0.00 C ATOM 677 CD GLU A 48 -7.564 -11.920 4.708 1.00 0.00 C ATOM 678 OE1 GLU A 48 -8.619 -11.275 4.883 1.00 0.00 O ATOM 679 OE2 GLU A 48 -7.355 -13.042 5.216 1.00 0.00 O ATOM 0 H GLU A 48 -5.375 -9.093 1.359 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.525 -12.044 1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.249 -9.793 2.540 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.937 -11.383 2.271 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.688 -12.042 3.687 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.039 -10.461 4.357 1.00 0.00 H new ATOM 686 N PHE A 49 -6.084 -10.778 -1.068 1.00 0.00 N ATOM 687 CA PHE A 49 -6.686 -10.778 -2.396 1.00 0.00 C ATOM 688 C PHE A 49 -5.634 -11.026 -3.473 1.00 0.00 C ATOM 689 O PHE A 49 -5.846 -11.818 -4.391 1.00 0.00 O ATOM 690 CB PHE A 49 -7.400 -9.451 -2.659 1.00 0.00 C ATOM 691 CG PHE A 49 -6.547 -8.243 -2.387 1.00 0.00 C ATOM 692 CD1 PHE A 49 -5.692 -7.751 -3.360 1.00 0.00 C ATOM 693 CD2 PHE A 49 -6.603 -7.602 -1.160 1.00 0.00 C ATOM 694 CE1 PHE A 49 -4.907 -6.641 -3.114 1.00 0.00 C ATOM 695 CE2 PHE A 49 -5.821 -6.491 -0.909 1.00 0.00 C ATOM 696 CZ PHE A 49 -4.972 -6.009 -1.887 1.00 0.00 C ATOM 0 H PHE A 49 -5.106 -10.489 -1.048 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.415 -11.587 -2.434 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.730 -9.426 -3.697 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.295 -9.400 -2.039 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.639 -8.241 -4.321 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.265 -7.975 -0.392 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.243 -6.268 -3.880 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.873 -5.999 0.051 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.361 -5.140 -1.693 1.00 0.00 H new ATOM 706 N ALA A 50 -4.499 -10.344 -3.354 1.00 0.00 N ATOM 707 CA ALA A 50 -3.415 -10.492 -4.318 1.00 0.00 C ATOM 708 C ALA A 50 -2.212 -11.186 -3.689 1.00 0.00 C ATOM 709 O ALA A 50 -1.916 -10.989 -2.510 1.00 0.00 O ATOM 710 CB ALA A 50 -3.013 -9.132 -4.871 1.00 0.00 C ATOM 0 H ALA A 50 -4.307 -9.684 -2.600 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.772 -11.115 -5.138 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.203 -9.256 -5.590 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.869 -8.673 -5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.679 -8.492 -4.055 1.00 0.00 H new ATOM 716 N SER A 51 -1.522 -11.999 -4.482 1.00 0.00 N ATOM 717 CA SER A 51 -0.351 -12.724 -4.002 1.00 0.00 C ATOM 718 C SER A 51 0.923 -11.922 -4.249 1.00 0.00 C ATOM 719 O SER A 51 0.975 -11.081 -5.146 1.00 0.00 O ATOM 720 CB SER A 51 -0.252 -14.086 -4.690 1.00 0.00 C ATOM 721 OG SER A 51 0.421 -15.025 -3.868 1.00 0.00 O ATOM 0 H SER A 51 -1.753 -12.172 -5.460 1.00 0.00 H new ATOM 0 HA SER A 51 -0.462 -12.875 -2.928 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.252 -14.453 -4.923 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.278 -13.981 -5.637 1.00 0.00 H new ATOM 0 HG SER A 51 0.470 -15.888 -4.330 1.00 0.00 H new ATOM 727 N GLY A 52 1.949 -12.190 -3.447 1.00 0.00 N ATOM 728 CA GLY A 52 3.209 -11.486 -3.595 1.00 0.00 C ATOM 729 C GLY A 52 3.388 -10.393 -2.561 1.00 0.00 C ATOM 730 O GLY A 52 2.488 -10.132 -1.762 1.00 0.00 O ATOM 0 H GLY A 52 1.930 -12.882 -2.698 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.031 -12.197 -3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.263 -11.050 -4.593 1.00 0.00 H new ATOM 734 N GLN A 53 4.551 -9.750 -2.576 1.00 0.00 N ATOM 735 CA GLN A 53 4.845 -8.679 -1.632 1.00 0.00 C ATOM 736 C GLN A 53 4.087 -7.407 -2.001 1.00 0.00 C ATOM 737 O GLN A 53 4.385 -6.764 -3.007 1.00 0.00 O ATOM 738 CB GLN A 53 6.351 -8.401 -1.596 1.00 0.00 C ATOM 739 CG GLN A 53 6.974 -8.615 -0.227 1.00 0.00 C ATOM 740 CD GLN A 53 6.969 -10.070 0.196 1.00 0.00 C ATOM 741 OE1 GLN A 53 7.899 -10.819 -0.103 1.00 0.00 O ATOM 742 NE2 GLN A 53 5.917 -10.479 0.896 1.00 0.00 N ATOM 0 H GLN A 53 5.305 -9.952 -3.232 1.00 0.00 H new ATOM 0 HA GLN A 53 4.520 -8.999 -0.642 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.849 -9.048 -2.318 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.530 -7.373 -1.911 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.000 -8.247 -0.238 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.431 -8.024 0.511 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.169 -9.824 1.122 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.858 -11.448 1.208 1.00 0.00 H new ATOM 751 N TRP A 54 3.103 -7.052 -1.180 1.00 0.00 N ATOM 752 CA TRP A 54 2.300 -5.858 -1.420 1.00 0.00 C ATOM 753 C TRP A 54 2.486 -4.842 -0.297 1.00 0.00 C ATOM 754 O TRP A 54 2.980 -5.176 0.779 1.00 0.00 O ATOM 755 CB TRP A 54 0.822 -6.229 -1.548 1.00 0.00 C ATOM 756 CG TRP A 54 0.506 -6.990 -2.800 1.00 0.00 C ATOM 757 CD1 TRP A 54 0.411 -8.345 -2.932 1.00 0.00 C ATOM 758 CD2 TRP A 54 0.246 -6.440 -4.095 1.00 0.00 C ATOM 759 NE1 TRP A 54 0.107 -8.671 -4.232 1.00 0.00 N ATOM 760 CE2 TRP A 54 0.000 -7.519 -4.965 1.00 0.00 C ATOM 761 CE3 TRP A 54 0.195 -5.138 -4.605 1.00 0.00 C ATOM 762 CZ2 TRP A 54 -0.292 -7.336 -6.315 1.00 0.00 C ATOM 763 CZ3 TRP A 54 -0.094 -4.959 -5.944 1.00 0.00 C ATOM 764 CH2 TRP A 54 -0.335 -6.052 -6.786 1.00 0.00 C ATOM 0 H TRP A 54 2.843 -7.574 -0.343 1.00 0.00 H new ATOM 0 HA TRP A 54 2.636 -5.406 -2.353 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.529 -6.826 -0.685 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.223 -5.319 -1.524 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.554 -9.057 -2.132 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.019 -9.617 -4.592 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.378 -4.289 -3.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.478 -8.177 -6.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.135 -3.959 -6.349 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.559 -5.878 -7.828 1.00 0.00 H new ATOM 775 N ALA A 55 2.086 -3.602 -0.556 1.00 0.00 N ATOM 776 CA ALA A 55 2.208 -2.537 0.432 1.00 0.00 C ATOM 777 C ALA A 55 1.173 -1.443 0.191 1.00 0.00 C ATOM 778 O ALA A 55 0.904 -1.070 -0.950 1.00 0.00 O ATOM 779 CB ALA A 55 3.612 -1.953 0.406 1.00 0.00 C ATOM 0 H ALA A 55 1.674 -3.310 -1.442 1.00 0.00 H new ATOM 0 HA ALA A 55 2.022 -2.965 1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.690 -1.159 1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.336 -2.735 0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.818 -1.546 -0.584 1.00 0.00 H new ATOM 785 N GLY A 56 0.595 -0.934 1.274 1.00 0.00 N ATOM 786 CA GLY A 56 -0.403 0.112 1.159 1.00 0.00 C ATOM 787 C GLY A 56 0.184 1.498 1.344 1.00 0.00 C ATOM 788 O GLY A 56 0.796 1.788 2.372 1.00 0.00 O ATOM 0 H GLY A 56 0.800 -1.228 2.229 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.878 0.050 0.180 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.183 -0.051 1.903 1.00 0.00 H new ATOM 792 N ILE A 57 -0.004 2.356 0.347 1.00 0.00 N ATOM 793 CA ILE A 57 0.511 3.719 0.405 1.00 0.00 C ATOM 794 C ILE A 57 -0.592 4.736 0.124 1.00 0.00 C ATOM 795 O ILE A 57 -1.410 4.545 -0.776 1.00 0.00 O ATOM 796 CB ILE A 57 1.657 3.930 -0.603 1.00 0.00 C ATOM 797 CG1 ILE A 57 2.693 2.812 -0.473 1.00 0.00 C ATOM 798 CG2 ILE A 57 2.306 5.290 -0.391 1.00 0.00 C ATOM 799 CD1 ILE A 57 2.433 1.637 -1.390 1.00 0.00 C ATOM 0 H ILE A 57 -0.509 2.132 -0.510 1.00 0.00 H new ATOM 0 HA ILE A 57 0.893 3.870 1.415 1.00 0.00 H new ATOM 0 HB ILE A 57 1.244 3.900 -1.611 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.682 3.217 -0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.709 2.461 0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.114 5.424 -1.111 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.562 6.074 -0.531 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.708 5.348 0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.207 0.883 -1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.458 1.206 -1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.446 1.974 -2.426 1.00 0.00 H new ATOM 811 N GLU A 58 -0.606 5.815 0.899 1.00 0.00 N ATOM 812 CA GLU A 58 -1.608 6.861 0.733 1.00 0.00 C ATOM 813 C GLU A 58 -1.048 8.028 -0.074 1.00 0.00 C ATOM 814 O GLU A 58 -0.211 8.787 0.413 1.00 0.00 O ATOM 815 CB GLU A 58 -2.090 7.356 2.098 1.00 0.00 C ATOM 816 CG GLU A 58 -3.562 7.734 2.124 1.00 0.00 C ATOM 817 CD GLU A 58 -3.778 9.235 2.148 1.00 0.00 C ATOM 818 OE1 GLU A 58 -3.601 9.878 1.093 1.00 0.00 O ATOM 819 OE2 GLU A 58 -4.125 9.767 3.223 1.00 0.00 O ATOM 0 H GLU A 58 0.065 5.988 1.648 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.452 6.437 0.189 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.910 6.579 2.841 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.496 8.222 2.392 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.057 7.313 1.249 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.032 7.289 3.001 1.00 0.00 H new ATOM 826 N LEU A 59 -1.515 8.164 -1.311 1.00 0.00 N ATOM 827 CA LEU A 59 -1.060 9.239 -2.185 1.00 0.00 C ATOM 828 C LEU A 59 -1.546 10.593 -1.681 1.00 0.00 C ATOM 829 O LEU A 59 -2.608 10.694 -1.067 1.00 0.00 O ATOM 830 CB LEU A 59 -1.555 9.007 -3.614 1.00 0.00 C ATOM 831 CG LEU A 59 -1.300 7.604 -4.168 1.00 0.00 C ATOM 832 CD1 LEU A 59 -2.336 7.251 -5.224 1.00 0.00 C ATOM 833 CD2 LEU A 59 0.104 7.508 -4.744 1.00 0.00 C ATOM 0 H LEU A 59 -2.208 7.544 -1.730 1.00 0.00 H new ATOM 0 HA LEU A 59 0.030 9.240 -2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.626 9.205 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.076 9.733 -4.271 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.387 6.889 -3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.139 6.250 -5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.332 7.281 -4.781 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.281 7.969 -6.042 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.269 6.504 -5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.217 8.233 -5.550 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.833 7.718 -3.962 1.00 0.00 H new ATOM 845 N ASP A 60 -0.761 11.633 -1.943 1.00 0.00 N ATOM 846 CA ASP A 60 -1.111 12.983 -1.517 1.00 0.00 C ATOM 847 C ASP A 60 -2.234 13.552 -2.377 1.00 0.00 C ATOM 848 O ASP A 60 -3.066 14.322 -1.900 1.00 0.00 O ATOM 849 CB ASP A 60 0.114 13.896 -1.587 1.00 0.00 C ATOM 850 CG ASP A 60 0.973 13.809 -0.340 1.00 0.00 C ATOM 851 OD1 ASP A 60 0.662 14.511 0.645 1.00 0.00 O ATOM 852 OD2 ASP A 60 1.956 13.039 -0.349 1.00 0.00 O ATOM 0 H ASP A 60 0.122 11.567 -2.449 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.459 12.932 -0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.714 13.629 -2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.212 14.926 -1.729 1.00 0.00 H new ATOM 857 N GLU A 61 -2.251 13.167 -3.649 1.00 0.00 N ATOM 858 CA GLU A 61 -3.272 13.639 -4.579 1.00 0.00 C ATOM 859 C GLU A 61 -4.230 12.510 -4.953 1.00 0.00 C ATOM 860 O GLU A 61 -3.875 11.334 -4.881 1.00 0.00 O ATOM 861 CB GLU A 61 -2.621 14.210 -5.839 1.00 0.00 C ATOM 862 CG GLU A 61 -1.926 15.543 -5.614 1.00 0.00 C ATOM 863 CD GLU A 61 -0.839 15.814 -6.636 1.00 0.00 C ATOM 864 OE1 GLU A 61 -1.175 16.245 -7.759 1.00 0.00 O ATOM 865 OE2 GLU A 61 0.347 15.594 -6.314 1.00 0.00 O ATOM 0 H GLU A 61 -1.569 12.529 -4.060 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.841 14.427 -4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.896 13.491 -6.221 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.383 14.333 -6.608 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.664 16.344 -5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.492 15.558 -4.614 1.00 0.00 H new ATOM 872 N PRO A 62 -5.464 12.856 -5.359 1.00 0.00 N ATOM 873 CA PRO A 62 -6.474 11.866 -5.746 1.00 0.00 C ATOM 874 C PRO A 62 -6.130 11.172 -7.060 1.00 0.00 C ATOM 875 O PRO A 62 -6.534 11.619 -8.133 1.00 0.00 O ATOM 876 CB PRO A 62 -7.749 12.699 -5.899 1.00 0.00 C ATOM 877 CG PRO A 62 -7.269 14.073 -6.214 1.00 0.00 C ATOM 878 CD PRO A 62 -5.970 14.237 -5.474 1.00 0.00 C ATOM 0 HA PRO A 62 -6.559 11.063 -5.014 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.383 12.309 -6.695 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.342 12.687 -4.984 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.126 14.200 -7.287 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.995 14.822 -5.899 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.275 14.875 -6.019 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.120 14.693 -4.495 1.00 0.00 H new ATOM 886 N GLU A 63 -5.384 10.077 -6.967 1.00 0.00 N ATOM 887 CA GLU A 63 -4.987 9.320 -8.148 1.00 0.00 C ATOM 888 C GLU A 63 -4.777 7.848 -7.806 1.00 0.00 C ATOM 889 O GLU A 63 -3.948 7.171 -8.415 1.00 0.00 O ATOM 890 CB GLU A 63 -3.707 9.905 -8.747 1.00 0.00 C ATOM 891 CG GLU A 63 -3.961 10.973 -9.799 1.00 0.00 C ATOM 892 CD GLU A 63 -2.973 10.907 -10.947 1.00 0.00 C ATOM 893 OE1 GLU A 63 -3.102 9.994 -11.789 1.00 0.00 O ATOM 894 OE2 GLU A 63 -2.071 11.769 -11.003 1.00 0.00 O ATOM 0 H GLU A 63 -5.042 9.694 -6.086 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.789 9.392 -8.882 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.103 10.332 -7.946 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.123 9.100 -9.192 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.973 10.861 -10.188 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.906 11.957 -9.333 1.00 0.00 H new ATOM 901 N GLY A 64 -5.534 7.358 -6.829 1.00 0.00 N ATOM 902 CA GLY A 64 -5.416 5.970 -6.423 1.00 0.00 C ATOM 903 C GLY A 64 -6.603 5.135 -6.864 1.00 0.00 C ATOM 904 O GLY A 64 -7.629 5.672 -7.279 1.00 0.00 O ATOM 0 H GLY A 64 -6.227 7.898 -6.311 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.503 5.548 -6.843 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.322 5.918 -5.338 1.00 0.00 H new ATOM 908 N LYS A 65 -6.462 3.817 -6.771 1.00 0.00 N ATOM 909 CA LYS A 65 -7.531 2.904 -7.163 1.00 0.00 C ATOM 910 C LYS A 65 -8.160 2.246 -5.939 1.00 0.00 C ATOM 911 O LYS A 65 -8.641 1.114 -6.007 1.00 0.00 O ATOM 912 CB LYS A 65 -6.992 1.835 -8.116 1.00 0.00 C ATOM 913 CG LYS A 65 -7.295 2.116 -9.579 1.00 0.00 C ATOM 914 CD LYS A 65 -6.064 2.614 -10.320 1.00 0.00 C ATOM 915 CE LYS A 65 -6.437 3.294 -11.627 1.00 0.00 C ATOM 916 NZ LYS A 65 -5.242 3.573 -12.468 1.00 0.00 N ATOM 0 H LYS A 65 -5.619 3.357 -6.428 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.300 3.481 -7.676 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.913 1.755 -7.986 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.418 0.869 -7.844 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.665 1.208 -10.055 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.089 2.859 -9.650 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.516 3.313 -9.688 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.396 1.777 -10.522 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.131 2.661 -12.180 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.958 4.228 -11.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.539 4.037 -13.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.591 4.198 -11.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.759 2.680 -12.692 1.00 0.00 H new ATOM 930 N ASN A 66 -8.155 2.963 -4.819 1.00 0.00 N ATOM 931 CA ASN A 66 -8.726 2.449 -3.580 1.00 0.00 C ATOM 932 C ASN A 66 -8.949 3.575 -2.576 1.00 0.00 C ATOM 933 O ASN A 66 -8.553 4.716 -2.810 1.00 0.00 O ATOM 934 CB ASN A 66 -7.809 1.383 -2.975 1.00 0.00 C ATOM 935 CG ASN A 66 -8.226 -0.024 -3.359 1.00 0.00 C ATOM 936 OD1 ASN A 66 -9.283 -0.504 -2.947 1.00 0.00 O ATOM 937 ND2 ASN A 66 -7.396 -0.691 -4.151 1.00 0.00 N ATOM 0 H ASN A 66 -7.762 3.901 -4.745 1.00 0.00 H new ATOM 0 HA ASN A 66 -9.691 1.998 -3.813 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.785 1.558 -3.305 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.814 1.477 -1.889 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.623 -1.642 -4.443 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.531 -0.253 -4.468 1.00 0.00 H new ATOM 944 N ASN A 67 -9.586 3.246 -1.457 1.00 0.00 N ATOM 945 CA ASN A 67 -9.863 4.229 -0.416 1.00 0.00 C ATOM 946 C ASN A 67 -9.456 3.700 0.955 1.00 0.00 C ATOM 947 O ASN A 67 -10.076 4.027 1.966 1.00 0.00 O ATOM 948 CB ASN A 67 -11.347 4.597 -0.414 1.00 0.00 C ATOM 949 CG ASN A 67 -12.239 3.398 -0.154 1.00 0.00 C ATOM 950 OD1 ASN A 67 -11.790 2.378 0.367 1.00 0.00 O ATOM 951 ND2 ASN A 67 -13.510 3.518 -0.516 1.00 0.00 N ATOM 0 H ASN A 67 -9.920 2.305 -1.248 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.275 5.122 -0.629 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.530 5.355 0.348 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.610 5.041 -1.374 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -14.158 2.745 -0.365 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.839 4.383 -0.945 1.00 0.00 H new ATOM 958 N GLY A 68 -8.410 2.879 0.981 1.00 0.00 N ATOM 959 CA GLY A 68 -7.939 2.318 2.233 1.00 0.00 C ATOM 960 C GLY A 68 -8.195 0.827 2.334 1.00 0.00 C ATOM 961 O GLY A 68 -7.328 0.070 2.772 1.00 0.00 O ATOM 0 H GLY A 68 -7.881 2.593 0.157 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.870 2.507 2.333 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.432 2.825 3.063 1.00 0.00 H new ATOM 965 N SER A 69 -9.388 0.404 1.928 1.00 0.00 N ATOM 966 CA SER A 69 -9.757 -1.006 1.974 1.00 0.00 C ATOM 967 C SER A 69 -9.961 -1.561 0.569 1.00 0.00 C ATOM 968 O SER A 69 -10.397 -0.847 -0.334 1.00 0.00 O ATOM 969 CB SER A 69 -11.030 -1.194 2.800 1.00 0.00 C ATOM 970 OG SER A 69 -12.184 -0.888 2.036 1.00 0.00 O ATOM 0 H SER A 69 -10.116 1.018 1.563 1.00 0.00 H new ATOM 0 HA SER A 69 -8.942 -1.554 2.446 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.088 -2.223 3.156 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.993 -0.554 3.681 1.00 0.00 H new ATOM 0 HG SER A 69 -12.984 -1.018 2.586 1.00 0.00 H new ATOM 976 N VAL A 70 -9.644 -2.840 0.391 1.00 0.00 N ATOM 977 CA VAL A 70 -9.793 -3.491 -0.904 1.00 0.00 C ATOM 978 C VAL A 70 -10.741 -4.682 -0.815 1.00 0.00 C ATOM 979 O VAL A 70 -10.355 -5.765 -0.377 1.00 0.00 O ATOM 980 CB VAL A 70 -8.435 -3.972 -1.451 1.00 0.00 C ATOM 981 CG1 VAL A 70 -8.580 -4.466 -2.883 1.00 0.00 C ATOM 982 CG2 VAL A 70 -7.402 -2.860 -1.366 1.00 0.00 C ATOM 0 H VAL A 70 -9.282 -3.445 1.128 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.209 -2.748 -1.585 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.091 -4.805 -0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.611 -4.801 -3.252 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.286 -5.296 -2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.947 -3.655 -3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.449 -3.218 -1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.738 -2.006 -1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.277 -2.558 -0.326 1.00 0.00 H new ATOM 992 N GLY A 71 -11.986 -4.473 -1.232 1.00 0.00 N ATOM 993 CA GLY A 71 -12.970 -5.539 -1.191 1.00 0.00 C ATOM 994 C GLY A 71 -13.565 -5.725 0.191 1.00 0.00 C ATOM 995 O GLY A 71 -14.229 -4.830 0.715 1.00 0.00 O ATOM 0 H GLY A 71 -12.331 -3.585 -1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.768 -5.320 -1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.505 -6.471 -1.512 1.00 0.00 H new ATOM 999 N ARG A 72 -13.327 -6.890 0.783 1.00 0.00 N ATOM 1000 CA ARG A 72 -13.843 -7.192 2.113 1.00 0.00 C ATOM 1001 C ARG A 72 -12.716 -7.239 3.140 1.00 0.00 C ATOM 1002 O ARG A 72 -12.793 -7.968 4.128 1.00 0.00 O ATOM 1003 CB ARG A 72 -14.592 -8.526 2.100 1.00 0.00 C ATOM 1004 CG ARG A 72 -16.035 -8.410 1.635 1.00 0.00 C ATOM 1005 CD ARG A 72 -16.615 -9.766 1.267 1.00 0.00 C ATOM 1006 NE ARG A 72 -17.915 -9.994 1.894 1.00 0.00 N ATOM 1007 CZ ARG A 72 -19.006 -9.283 1.616 1.00 0.00 C ATOM 1008 NH1 ARG A 72 -18.958 -8.300 0.726 1.00 0.00 N ATOM 1009 NH2 ARG A 72 -20.148 -9.556 2.232 1.00 0.00 N ATOM 0 H ARG A 72 -12.780 -7.641 0.363 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.533 -6.397 2.396 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.064 -9.223 1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.576 -8.952 3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.637 -7.958 2.424 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.088 -7.745 0.773 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.718 -9.834 0.184 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.923 -10.551 1.572 1.00 0.00 H new ATOM 0 HE ARG A 72 -17.991 -10.741 2.584 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -18.082 -8.085 0.250 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.797 -7.759 0.518 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -20.190 -10.310 2.918 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -20.984 -9.012 2.020 1.00 0.00 H new ATOM 1023 N VAL A 73 -11.668 -6.457 2.898 1.00 0.00 N ATOM 1024 CA VAL A 73 -10.525 -6.410 3.801 1.00 0.00 C ATOM 1025 C VAL A 73 -10.075 -4.973 4.042 1.00 0.00 C ATOM 1026 O VAL A 73 -9.988 -4.174 3.110 1.00 0.00 O ATOM 1027 CB VAL A 73 -9.339 -7.221 3.249 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -8.234 -7.329 4.289 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -9.797 -8.602 2.804 1.00 0.00 C ATOM 0 H VAL A 73 -11.588 -5.848 2.084 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.849 -6.851 4.744 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.939 -6.698 2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.404 -7.906 3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.886 -6.331 4.555 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.619 -7.828 5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.945 -9.161 2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -10.224 -9.135 3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.550 -8.501 2.023 1.00 0.00 H new ATOM 1039 N GLN A 74 -9.789 -4.652 5.300 1.00 0.00 N ATOM 1040 CA GLN A 74 -9.347 -3.310 5.664 1.00 0.00 C ATOM 1041 C GLN A 74 -7.870 -3.310 6.047 1.00 0.00 C ATOM 1042 O GLN A 74 -7.355 -4.296 6.574 1.00 0.00 O ATOM 1043 CB GLN A 74 -10.186 -2.772 6.824 1.00 0.00 C ATOM 1044 CG GLN A 74 -9.907 -1.313 7.150 1.00 0.00 C ATOM 1045 CD GLN A 74 -10.626 -0.360 6.217 1.00 0.00 C ATOM 1046 OE1 GLN A 74 -11.826 -0.496 5.975 1.00 0.00 O ATOM 1047 NE2 GLN A 74 -9.895 0.614 5.687 1.00 0.00 N ATOM 0 H GLN A 74 -9.855 -5.302 6.084 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.480 -2.662 4.797 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -11.242 -2.886 6.581 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.996 -3.377 7.711 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -10.211 -1.109 8.177 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.834 -1.131 7.093 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.904 0.689 5.915 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.325 1.287 5.052 1.00 0.00 H new ATOM 1056 N TYR A 75 -7.195 -2.197 5.778 1.00 0.00 N ATOM 1057 CA TYR A 75 -5.777 -2.069 6.093 1.00 0.00 C ATOM 1058 C TYR A 75 -5.480 -0.707 6.712 1.00 0.00 C ATOM 1059 O TYR A 75 -5.144 -0.610 7.893 1.00 0.00 O ATOM 1060 CB TYR A 75 -4.932 -2.264 4.833 1.00 0.00 C ATOM 1061 CG TYR A 75 -5.189 -3.578 4.129 1.00 0.00 C ATOM 1062 CD1 TYR A 75 -6.223 -3.703 3.209 1.00 0.00 C ATOM 1063 CD2 TYR A 75 -4.399 -4.690 4.385 1.00 0.00 C ATOM 1064 CE1 TYR A 75 -6.462 -4.901 2.564 1.00 0.00 C ATOM 1065 CE2 TYR A 75 -4.631 -5.892 3.742 1.00 0.00 C ATOM 1066 CZ TYR A 75 -5.663 -5.993 2.833 1.00 0.00 C ATOM 1067 OH TYR A 75 -5.897 -7.188 2.194 1.00 0.00 O ATOM 0 H TYR A 75 -7.607 -1.371 5.343 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.520 -2.843 6.817 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.132 -1.446 4.141 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.877 -2.205 5.100 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -6.850 -2.850 2.995 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.591 -4.615 5.097 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.270 -4.982 1.853 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.007 -6.748 3.951 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.794 -7.067 1.227 1.00 0.00 H new ATOM 1077 N PHE A 76 -5.605 0.344 5.908 1.00 0.00 N ATOM 1078 CA PHE A 76 -5.350 1.700 6.377 1.00 0.00 C ATOM 1079 C PHE A 76 -6.473 2.643 5.954 1.00 0.00 C ATOM 1080 O PHE A 76 -6.934 2.603 4.814 1.00 0.00 O ATOM 1081 CB PHE A 76 -4.011 2.207 5.836 1.00 0.00 C ATOM 1082 CG PHE A 76 -3.971 2.312 4.338 1.00 0.00 C ATOM 1083 CD1 PHE A 76 -3.583 1.229 3.565 1.00 0.00 C ATOM 1084 CD2 PHE A 76 -4.320 3.493 3.704 1.00 0.00 C ATOM 1085 CE1 PHE A 76 -3.545 1.323 2.186 1.00 0.00 C ATOM 1086 CE2 PHE A 76 -4.283 3.593 2.326 1.00 0.00 C ATOM 1087 CZ PHE A 76 -3.895 2.507 1.566 1.00 0.00 C ATOM 0 H PHE A 76 -5.882 0.282 4.928 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.309 1.679 7.466 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.802 3.186 6.267 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.217 1.537 6.167 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.307 0.302 4.045 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.624 4.345 4.293 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.242 0.472 1.594 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.557 4.520 1.844 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.865 2.583 0.489 1.00 0.00 H new ATOM 1097 N LYS A 77 -6.907 3.490 6.881 1.00 0.00 N ATOM 1098 CA LYS A 77 -7.977 4.443 6.604 1.00 0.00 C ATOM 1099 C LYS A 77 -7.436 5.672 5.881 1.00 0.00 C ATOM 1100 O LYS A 77 -6.466 6.288 6.322 1.00 0.00 O ATOM 1101 CB LYS A 77 -8.663 4.864 7.904 1.00 0.00 C ATOM 1102 CG LYS A 77 -9.756 3.908 8.352 1.00 0.00 C ATOM 1103 CD LYS A 77 -9.175 2.649 8.976 1.00 0.00 C ATOM 1104 CE LYS A 77 -8.902 2.838 10.460 1.00 0.00 C ATOM 1105 NZ LYS A 77 -7.938 1.831 10.980 1.00 0.00 N ATOM 0 H LYS A 77 -6.535 3.537 7.830 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.707 3.954 5.958 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.914 4.941 8.692 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.092 5.858 7.774 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.404 4.407 9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.377 3.638 7.498 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.867 1.819 8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.249 2.382 8.466 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.508 3.840 10.632 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.838 2.764 11.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.779 1.994 11.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.324 0.876 10.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.036 1.918 10.470 1.00 0.00 H new ATOM 1119 N CYS A 78 -8.070 6.023 4.767 1.00 0.00 N ATOM 1120 CA CYS A 78 -7.653 7.178 3.981 1.00 0.00 C ATOM 1121 C CYS A 78 -8.829 7.762 3.205 1.00 0.00 C ATOM 1122 O CYS A 78 -9.970 7.334 3.374 1.00 0.00 O ATOM 1123 CB CYS A 78 -6.531 6.788 3.017 1.00 0.00 C ATOM 1124 SG CYS A 78 -7.021 5.577 1.767 1.00 0.00 S ATOM 0 H CYS A 78 -8.875 5.524 4.388 1.00 0.00 H new ATOM 0 HA CYS A 78 -7.282 7.939 4.668 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -6.169 7.686 2.516 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -5.697 6.385 3.591 1.00 0.00 H new ATOM 0 HG CYS A 78 -6.253 4.532 1.851 1.00 0.00 H new ATOM 1130 N ALA A 79 -8.544 8.743 2.355 1.00 0.00 N ATOM 1131 CA ALA A 79 -9.578 9.385 1.554 1.00 0.00 C ATOM 1132 C ALA A 79 -9.850 8.601 0.272 1.00 0.00 C ATOM 1133 O ALA A 79 -9.040 7.772 -0.141 1.00 0.00 O ATOM 1134 CB ALA A 79 -9.178 10.816 1.224 1.00 0.00 C ATOM 0 H ALA A 79 -7.605 9.110 2.204 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.497 9.401 2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.960 11.283 0.625 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.043 11.378 2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.244 10.812 0.662 1.00 0.00 H new ATOM 1140 N PRO A 80 -11.002 8.852 -0.374 1.00 0.00 N ATOM 1141 CA PRO A 80 -11.381 8.165 -1.613 1.00 0.00 C ATOM 1142 C PRO A 80 -10.453 8.509 -2.774 1.00 0.00 C ATOM 1143 O PRO A 80 -10.092 9.669 -2.970 1.00 0.00 O ATOM 1144 CB PRO A 80 -12.802 8.675 -1.899 1.00 0.00 C ATOM 1145 CG PRO A 80 -13.263 9.303 -0.627 1.00 0.00 C ATOM 1146 CD PRO A 80 -12.026 9.817 0.049 1.00 0.00 C ATOM 0 HA PRO A 80 -11.320 7.082 -1.505 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.803 9.397 -2.716 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -13.460 7.858 -2.195 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -13.966 10.113 -0.823 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -13.779 8.578 0.002 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.783 10.831 -0.269 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.137 9.841 1.133 1.00 0.00 H new ATOM 1154 N LYS A 81 -10.075 7.494 -3.543 1.00 0.00 N ATOM 1155 CA LYS A 81 -9.193 7.687 -4.689 1.00 0.00 C ATOM 1156 C LYS A 81 -7.841 8.249 -4.258 1.00 0.00 C ATOM 1157 O LYS A 81 -7.180 8.953 -5.022 1.00 0.00 O ATOM 1158 CB LYS A 81 -9.845 8.627 -5.706 1.00 0.00 C ATOM 1159 CG LYS A 81 -11.308 8.314 -5.974 1.00 0.00 C ATOM 1160 CD LYS A 81 -11.939 9.345 -6.895 1.00 0.00 C ATOM 1161 CE LYS A 81 -11.735 8.984 -8.358 1.00 0.00 C ATOM 1162 NZ LYS A 81 -10.533 9.651 -8.932 1.00 0.00 N ATOM 0 H LYS A 81 -10.366 6.528 -3.394 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.027 6.714 -5.151 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.762 9.652 -5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.293 8.573 -6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.393 7.324 -6.422 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.854 8.285 -5.031 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.006 9.420 -6.683 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.505 10.325 -6.697 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.631 7.903 -8.454 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.618 9.272 -8.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.826 10.307 -9.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.039 10.179 -8.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.894 8.933 -9.329 1.00 0.00 H new ATOM 1176 N TYR A 82 -7.434 7.934 -3.033 1.00 0.00 N ATOM 1177 CA TYR A 82 -6.159 8.410 -2.507 1.00 0.00 C ATOM 1178 C TYR A 82 -5.240 7.243 -2.157 1.00 0.00 C ATOM 1179 O TYR A 82 -4.026 7.318 -2.346 1.00 0.00 O ATOM 1180 CB TYR A 82 -6.384 9.284 -1.272 1.00 0.00 C ATOM 1181 CG TYR A 82 -6.685 10.730 -1.600 1.00 0.00 C ATOM 1182 CD1 TYR A 82 -5.664 11.617 -1.917 1.00 0.00 C ATOM 1183 CD2 TYR A 82 -7.991 11.207 -1.595 1.00 0.00 C ATOM 1184 CE1 TYR A 82 -5.935 12.939 -2.217 1.00 0.00 C ATOM 1185 CE2 TYR A 82 -8.269 12.526 -1.895 1.00 0.00 C ATOM 1186 CZ TYR A 82 -7.238 13.388 -2.206 1.00 0.00 C ATOM 1187 OH TYR A 82 -7.512 14.703 -2.505 1.00 0.00 O ATOM 0 H TYR A 82 -7.967 7.352 -2.387 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.679 9.006 -3.283 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.210 8.872 -0.691 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.497 9.241 -0.640 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.642 11.268 -1.929 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.801 10.535 -1.353 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.130 13.617 -2.459 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.289 12.881 -1.886 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.479 14.856 -2.453 1.00 0.00 H new ATOM 1197 N GLY A 83 -5.827 6.164 -1.648 1.00 0.00 N ATOM 1198 CA GLY A 83 -5.045 4.999 -1.282 1.00 0.00 C ATOM 1199 C GLY A 83 -4.810 4.064 -2.451 1.00 0.00 C ATOM 1200 O GLY A 83 -5.592 4.040 -3.402 1.00 0.00 O ATOM 0 H GLY A 83 -6.830 6.077 -1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.084 5.322 -0.881 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.557 4.458 -0.486 1.00 0.00 H new ATOM 1204 N ILE A 84 -3.730 3.292 -2.382 1.00 0.00 N ATOM 1205 CA ILE A 84 -3.393 2.351 -3.443 1.00 0.00 C ATOM 1206 C ILE A 84 -2.551 1.199 -2.905 1.00 0.00 C ATOM 1207 O ILE A 84 -1.914 1.318 -1.857 1.00 0.00 O ATOM 1208 CB ILE A 84 -2.631 3.047 -4.589 1.00 0.00 C ATOM 1209 CG1 ILE A 84 -2.383 2.068 -5.738 1.00 0.00 C ATOM 1210 CG2 ILE A 84 -1.316 3.622 -4.082 1.00 0.00 C ATOM 1211 CD1 ILE A 84 -2.097 2.747 -7.060 1.00 0.00 C ATOM 0 H ILE A 84 -3.073 3.300 -1.602 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.332 1.958 -3.832 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.243 3.868 -4.963 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.542 1.424 -5.480 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.255 1.424 -5.851 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.791 4.109 -4.904 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.516 4.350 -3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.697 2.818 -3.682 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.931 1.992 -7.828 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.946 3.370 -7.340 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.207 3.369 -6.965 1.00 0.00 H new ATOM 1223 N PHE A 85 -2.553 0.082 -3.626 1.00 0.00 N ATOM 1224 CA PHE A 85 -1.789 -1.091 -3.218 1.00 0.00 C ATOM 1225 C PHE A 85 -0.878 -1.569 -4.343 1.00 0.00 C ATOM 1226 O PHE A 85 -1.338 -2.153 -5.324 1.00 0.00 O ATOM 1227 CB PHE A 85 -2.733 -2.220 -2.799 1.00 0.00 C ATOM 1228 CG PHE A 85 -3.310 -2.041 -1.424 1.00 0.00 C ATOM 1229 CD1 PHE A 85 -2.594 -2.429 -0.303 1.00 0.00 C ATOM 1230 CD2 PHE A 85 -4.568 -1.486 -1.252 1.00 0.00 C ATOM 1231 CE1 PHE A 85 -3.121 -2.266 0.965 1.00 0.00 C ATOM 1232 CE2 PHE A 85 -5.100 -1.321 0.012 1.00 0.00 C ATOM 1233 CZ PHE A 85 -4.376 -1.711 1.122 1.00 0.00 C ATOM 0 H PHE A 85 -3.075 -0.035 -4.495 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.168 -0.809 -2.368 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.548 -2.288 -3.520 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.194 -3.167 -2.837 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.613 -2.864 -0.421 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.139 -1.179 -2.116 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.552 -2.572 1.831 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.082 -0.887 0.132 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.791 -1.582 2.111 1.00 0.00 H new ATOM 1243 N ALA A 86 0.419 -1.317 -4.194 1.00 0.00 N ATOM 1244 CA ALA A 86 1.398 -1.722 -5.197 1.00 0.00 C ATOM 1245 C ALA A 86 2.380 -2.738 -4.621 1.00 0.00 C ATOM 1246 O ALA A 86 2.542 -2.837 -3.405 1.00 0.00 O ATOM 1247 CB ALA A 86 2.144 -0.506 -5.728 1.00 0.00 C ATOM 0 H ALA A 86 0.816 -0.834 -3.388 1.00 0.00 H new ATOM 0 HA ALA A 86 0.865 -2.195 -6.022 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.871 -0.823 -6.475 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.435 0.186 -6.182 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.661 -0.009 -4.907 1.00 0.00 H new ATOM 1253 N PRO A 87 3.051 -3.513 -5.491 1.00 0.00 N ATOM 1254 CA PRO A 87 4.019 -4.527 -5.060 1.00 0.00 C ATOM 1255 C PRO A 87 5.157 -3.927 -4.241 1.00 0.00 C ATOM 1256 O PRO A 87 5.952 -3.138 -4.749 1.00 0.00 O ATOM 1257 CB PRO A 87 4.554 -5.106 -6.373 1.00 0.00 C ATOM 1258 CG PRO A 87 3.524 -4.767 -7.396 1.00 0.00 C ATOM 1259 CD PRO A 87 2.919 -3.464 -6.957 1.00 0.00 C ATOM 0 HA PRO A 87 3.559 -5.273 -4.412 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.521 -4.674 -6.629 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.696 -6.184 -6.299 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.972 -4.676 -8.386 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.766 -5.547 -7.460 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.448 -2.611 -7.381 1.00 0.00 H new ATOM 0 HD3 PRO A 87 1.877 -3.379 -7.266 1.00 0.00 H new ATOM 1267 N LEU A 88 5.224 -4.308 -2.967 1.00 0.00 N ATOM 1268 CA LEU A 88 6.265 -3.810 -2.073 1.00 0.00 C ATOM 1269 C LEU A 88 7.627 -3.951 -2.733 1.00 0.00 C ATOM 1270 O LEU A 88 8.442 -3.029 -2.714 1.00 0.00 O ATOM 1271 CB LEU A 88 6.242 -4.571 -0.746 1.00 0.00 C ATOM 1272 CG LEU A 88 7.281 -4.117 0.279 1.00 0.00 C ATOM 1273 CD1 LEU A 88 6.770 -2.918 1.062 1.00 0.00 C ATOM 1274 CD2 LEU A 88 7.634 -5.258 1.221 1.00 0.00 C ATOM 0 H LEU A 88 4.570 -4.959 -2.532 1.00 0.00 H new ATOM 0 HA LEU A 88 6.075 -2.756 -1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.251 -4.471 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.394 -5.631 -0.950 1.00 0.00 H new ATOM 0 HG LEU A 88 8.183 -3.819 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.523 -2.609 1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.567 -2.095 0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.853 -3.189 1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.375 -4.917 1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.738 -5.586 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.043 -6.090 0.648 1.00 0.00 H new ATOM 1286 N SER A 89 7.851 -5.110 -3.341 1.00 0.00 N ATOM 1287 CA SER A 89 9.099 -5.376 -4.038 1.00 0.00 C ATOM 1288 C SER A 89 9.331 -4.312 -5.102 1.00 0.00 C ATOM 1289 O SER A 89 10.467 -4.043 -5.493 1.00 0.00 O ATOM 1290 CB SER A 89 9.072 -6.765 -4.678 1.00 0.00 C ATOM 1291 OG SER A 89 8.768 -7.763 -3.718 1.00 0.00 O ATOM 0 H SER A 89 7.182 -5.880 -3.364 1.00 0.00 H new ATOM 0 HA SER A 89 9.916 -5.346 -3.317 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.331 -6.786 -5.477 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.039 -6.977 -5.134 1.00 0.00 H new ATOM 0 HG SER A 89 8.755 -8.641 -4.152 1.00 0.00 H new ATOM 1297 N LYS A 90 8.239 -3.696 -5.557 1.00 0.00 N ATOM 1298 CA LYS A 90 8.321 -2.646 -6.562 1.00 0.00 C ATOM 1299 C LYS A 90 8.356 -1.270 -5.902 1.00 0.00 C ATOM 1300 O LYS A 90 8.640 -0.266 -6.555 1.00 0.00 O ATOM 1301 CB LYS A 90 7.135 -2.733 -7.524 1.00 0.00 C ATOM 1302 CG LYS A 90 7.246 -3.871 -8.526 1.00 0.00 C ATOM 1303 CD LYS A 90 7.186 -3.365 -9.959 1.00 0.00 C ATOM 1304 CE LYS A 90 5.771 -3.428 -10.514 1.00 0.00 C ATOM 1305 NZ LYS A 90 5.421 -4.795 -10.987 1.00 0.00 N ATOM 0 H LYS A 90 7.292 -3.908 -5.244 1.00 0.00 H new ATOM 0 HA LYS A 90 9.244 -2.787 -7.125 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.218 -2.856 -6.947 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.047 -1.791 -8.065 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.183 -4.406 -8.368 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.439 -4.584 -8.358 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.548 -2.338 -9.999 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.850 -3.961 -10.585 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.065 -3.118 -9.744 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.673 -2.722 -11.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.449 -4.796 -11.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.079 -5.081 -11.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.490 -5.465 -10.194 1.00 0.00 H new ATOM 1319 N ILE A 91 8.066 -1.229 -4.601 1.00 0.00 N ATOM 1320 CA ILE A 91 8.067 0.026 -3.860 1.00 0.00 C ATOM 1321 C ILE A 91 9.294 0.131 -2.960 1.00 0.00 C ATOM 1322 O ILE A 91 9.542 -0.739 -2.126 1.00 0.00 O ATOM 1323 CB ILE A 91 6.799 0.171 -2.997 1.00 0.00 C ATOM 1324 CG1 ILE A 91 5.548 -0.096 -3.837 1.00 0.00 C ATOM 1325 CG2 ILE A 91 6.738 1.556 -2.372 1.00 0.00 C ATOM 1326 CD1 ILE A 91 4.341 -0.488 -3.015 1.00 0.00 C ATOM 0 H ILE A 91 7.829 -2.049 -4.043 1.00 0.00 H new ATOM 0 HA ILE A 91 8.089 0.828 -4.598 1.00 0.00 H new ATOM 0 HB ILE A 91 6.839 -0.566 -2.195 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.310 0.798 -4.414 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.763 -0.889 -4.553 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.836 1.642 -1.766 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.615 1.710 -1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 91 6.719 2.310 -3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.492 -0.662 -3.676 1.00 0.00 H new ATOM 0 HD12 ILE A 91 4.560 -1.399 -2.458 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.100 0.314 -2.317 1.00 0.00 H new ATOM 1338 N SER A 92 10.060 1.203 -3.137 1.00 0.00 N ATOM 1339 CA SER A 92 11.264 1.422 -2.341 1.00 0.00 C ATOM 1340 C SER A 92 11.193 2.757 -1.604 1.00 0.00 C ATOM 1341 O SER A 92 10.217 3.495 -1.729 1.00 0.00 O ATOM 1342 CB SER A 92 12.506 1.384 -3.233 1.00 0.00 C ATOM 1343 OG SER A 92 13.678 1.167 -2.466 1.00 0.00 O ATOM 0 H SER A 92 9.869 1.933 -3.823 1.00 0.00 H new ATOM 0 HA SER A 92 11.332 0.623 -1.603 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.401 0.592 -3.975 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.594 2.323 -3.780 1.00 0.00 H new ATOM 0 HG SER A 92 14.458 1.145 -3.059 1.00 0.00 H new ATOM 1349 N LYS A 93 12.235 3.057 -0.836 1.00 0.00 N ATOM 1350 CA LYS A 93 12.292 4.303 -0.078 1.00 0.00 C ATOM 1351 C LYS A 93 12.313 5.508 -1.012 1.00 0.00 C ATOM 1352 O LYS A 93 12.850 5.442 -2.117 1.00 0.00 O ATOM 1353 CB LYS A 93 13.527 4.319 0.824 1.00 0.00 C ATOM 1354 CG LYS A 93 13.462 5.362 1.928 1.00 0.00 C ATOM 1355 CD LYS A 93 14.850 5.782 2.383 1.00 0.00 C ATOM 1356 CE LYS A 93 15.258 5.070 3.663 1.00 0.00 C ATOM 1357 NZ LYS A 93 15.246 5.987 4.836 1.00 0.00 N ATOM 0 H LYS A 93 13.051 2.456 -0.722 1.00 0.00 H new ATOM 0 HA LYS A 93 11.398 4.364 0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.651 3.334 1.274 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.410 4.504 0.213 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.915 6.235 1.573 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.906 4.961 2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.573 5.563 1.597 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.871 6.860 2.543 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.580 4.237 3.847 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.256 4.648 3.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.530 5.464 5.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.912 6.769 4.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.288 6.370 4.968 1.00 0.00 H new ATOM 1371 N LEU A 94 11.723 6.609 -0.558 1.00 0.00 N ATOM 1372 CA LEU A 94 11.671 7.833 -1.351 1.00 0.00 C ATOM 1373 C LEU A 94 13.073 8.383 -1.594 1.00 0.00 C ATOM 1374 O LEU A 94 13.968 8.218 -0.765 1.00 0.00 O ATOM 1375 CB LEU A 94 10.813 8.885 -0.646 1.00 0.00 C ATOM 1376 CG LEU A 94 10.291 10.006 -1.548 1.00 0.00 C ATOM 1377 CD1 LEU A 94 8.888 9.684 -2.040 1.00 0.00 C ATOM 1378 CD2 LEU A 94 10.305 11.335 -0.808 1.00 0.00 C ATOM 0 H LEU A 94 11.274 6.679 0.355 1.00 0.00 H new ATOM 0 HA LEU A 94 11.222 7.594 -2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.962 8.386 -0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 94 11.399 9.330 0.159 1.00 0.00 H new ATOM 0 HG LEU A 94 10.949 10.087 -2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.533 10.492 -2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.906 8.753 -2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.219 9.576 -1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.931 12.121 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.670 11.266 0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 94 11.325 11.571 -0.504 1.00 0.00 H new ATOM 1390 N LYS A 95 13.257 9.040 -2.735 1.00 0.00 N ATOM 1391 CA LYS A 95 14.550 9.616 -3.085 1.00 0.00 C ATOM 1392 C LYS A 95 14.786 10.920 -2.329 1.00 0.00 C ATOM 1393 O LYS A 95 13.843 11.648 -2.019 1.00 0.00 O ATOM 1394 CB LYS A 95 14.631 9.864 -4.592 1.00 0.00 C ATOM 1395 CG LYS A 95 16.052 10.038 -5.105 1.00 0.00 C ATOM 1396 CD LYS A 95 16.604 8.739 -5.669 1.00 0.00 C ATOM 1397 CE LYS A 95 17.082 7.809 -4.567 1.00 0.00 C ATOM 1398 NZ LYS A 95 18.373 7.154 -4.913 1.00 0.00 N ATOM 0 H LYS A 95 12.527 9.187 -3.432 1.00 0.00 H new ATOM 0 HA LYS A 95 15.326 8.906 -2.800 1.00 0.00 H new ATOM 0 HB2 LYS A 95 14.165 9.029 -5.115 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.054 10.756 -4.837 1.00 0.00 H new ATOM 0 HG2 LYS A 95 16.070 10.807 -5.877 1.00 0.00 H new ATOM 0 HG3 LYS A 95 16.693 10.385 -4.294 1.00 0.00 H new ATOM 0 HD2 LYS A 95 15.834 8.241 -6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 95 17.430 8.957 -6.345 1.00 0.00 H new ATOM 0 HE2 LYS A 95 17.198 8.373 -3.641 1.00 0.00 H new ATOM 0 HE3 LYS A 95 16.326 7.046 -4.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 18.664 6.528 -4.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 18.257 6.595 -5.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 19.102 7.881 -5.064 1.00 0.00 H new ATOM 1412 N ASP A 96 16.049 11.207 -2.034 1.00 0.00 N ATOM 1413 CA ASP A 96 16.409 12.423 -1.312 1.00 0.00 C ATOM 1414 C ASP A 96 16.286 13.649 -2.212 1.00 0.00 C ATOM 1415 O ASP A 96 16.776 13.655 -3.341 1.00 0.00 O ATOM 1416 CB ASP A 96 17.834 12.314 -0.770 1.00 0.00 C ATOM 1417 CG ASP A 96 18.078 11.005 -0.043 1.00 0.00 C ATOM 1418 OD1 ASP A 96 17.120 10.469 0.552 1.00 0.00 O ATOM 1419 OD2 ASP A 96 19.227 10.516 -0.071 1.00 0.00 O ATOM 0 H ASP A 96 16.841 10.615 -2.283 1.00 0.00 H new ATOM 0 HA ASP A 96 15.717 12.539 -0.477 1.00 0.00 H new ATOM 0 HB2 ASP A 96 18.541 12.406 -1.594 1.00 0.00 H new ATOM 0 HB3 ASP A 96 18.026 13.145 -0.091 1.00 0.00 H new ATOM 1424 N SER A 97 15.631 14.687 -1.701 1.00 0.00 N ATOM 1425 CA SER A 97 15.444 15.923 -2.454 1.00 0.00 C ATOM 1426 C SER A 97 14.603 15.679 -3.704 1.00 0.00 C ATOM 1427 O SER A 97 14.769 14.671 -4.390 1.00 0.00 O ATOM 1428 CB SER A 97 16.797 16.520 -2.844 1.00 0.00 C ATOM 1429 OG SER A 97 17.249 17.443 -1.868 1.00 0.00 O ATOM 0 H SER A 97 15.220 14.697 -0.767 1.00 0.00 H new ATOM 0 HA SER A 97 14.915 16.629 -1.814 1.00 0.00 H new ATOM 0 HB2 SER A 97 17.530 15.722 -2.961 1.00 0.00 H new ATOM 0 HB3 SER A 97 16.713 17.019 -3.809 1.00 0.00 H new ATOM 0 HG SER A 97 18.116 17.809 -2.140 1.00 0.00 H new ATOM 1435 N GLY A 98 13.701 16.612 -3.994 1.00 0.00 N ATOM 1436 CA GLY A 98 12.848 16.480 -5.161 1.00 0.00 C ATOM 1437 C GLY A 98 11.663 17.427 -5.124 1.00 0.00 C ATOM 1438 O GLY A 98 10.519 16.988 -5.009 1.00 0.00 O ATOM 0 H GLY A 98 13.546 17.456 -3.442 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.435 16.672 -6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.487 15.454 -5.229 1.00 0.00 H new ATOM 1442 N PRO A 99 11.906 18.746 -5.224 1.00 0.00 N ATOM 1443 CA PRO A 99 10.838 19.752 -5.200 1.00 0.00 C ATOM 1444 C PRO A 99 9.806 19.524 -6.300 1.00 0.00 C ATOM 1445 O PRO A 99 10.075 18.836 -7.286 1.00 0.00 O ATOM 1446 CB PRO A 99 11.578 21.073 -5.429 1.00 0.00 C ATOM 1447 CG PRO A 99 12.988 20.801 -5.029 1.00 0.00 C ATOM 1448 CD PRO A 99 13.239 19.359 -5.365 1.00 0.00 C ATOM 0 HA PRO A 99 10.276 19.723 -4.267 1.00 0.00 H new ATOM 0 HB2 PRO A 99 11.517 21.384 -6.472 1.00 0.00 H new ATOM 0 HB3 PRO A 99 11.146 21.876 -4.831 1.00 0.00 H new ATOM 0 HG2 PRO A 99 13.679 21.453 -5.564 1.00 0.00 H new ATOM 0 HG3 PRO A 99 13.135 20.986 -3.965 1.00 0.00 H new ATOM 0 HD2 PRO A 99 13.631 19.243 -6.375 1.00 0.00 H new ATOM 0 HD3 PRO A 99 13.964 18.908 -4.688 1.00 0.00 H new ATOM 1456 N SER A 100 8.625 20.106 -6.126 1.00 0.00 N ATOM 1457 CA SER A 100 7.552 19.969 -7.103 1.00 0.00 C ATOM 1458 C SER A 100 6.759 21.265 -7.229 1.00 0.00 C ATOM 1459 O SER A 100 6.203 21.761 -6.249 1.00 0.00 O ATOM 1460 CB SER A 100 6.619 18.822 -6.709 1.00 0.00 C ATOM 1461 OG SER A 100 5.981 18.269 -7.848 1.00 0.00 O ATOM 0 H SER A 100 8.386 20.678 -5.316 1.00 0.00 H new ATOM 0 HA SER A 100 8.003 19.746 -8.070 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.187 18.047 -6.195 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.868 19.185 -6.008 1.00 0.00 H new ATOM 0 HG SER A 100 5.392 17.537 -7.570 1.00 0.00 H new ATOM 1467 N SER A 101 6.713 21.811 -8.439 1.00 0.00 N ATOM 1468 CA SER A 101 5.988 23.052 -8.692 1.00 0.00 C ATOM 1469 C SER A 101 4.944 22.859 -9.787 1.00 0.00 C ATOM 1470 O SER A 101 5.282 22.679 -10.957 1.00 0.00 O ATOM 1471 CB SER A 101 6.962 24.162 -9.089 1.00 0.00 C ATOM 1472 OG SER A 101 6.503 25.427 -8.645 1.00 0.00 O ATOM 0 H SER A 101 7.169 21.414 -9.261 1.00 0.00 H new ATOM 0 HA SER A 101 5.475 23.339 -7.774 1.00 0.00 H new ATOM 0 HB2 SER A 101 7.944 23.958 -8.662 1.00 0.00 H new ATOM 0 HB3 SER A 101 7.081 24.175 -10.172 1.00 0.00 H new ATOM 0 HG SER A 101 7.144 26.119 -8.910 1.00 0.00 H new ATOM 1478 N GLY A 102 3.674 22.898 -9.399 1.00 0.00 N ATOM 1479 CA GLY A 102 2.598 22.727 -10.358 1.00 0.00 C ATOM 1480 C GLY A 102 1.243 23.085 -9.780 1.00 0.00 C ATOM 1481 O GLY A 102 0.676 22.254 -9.041 1.00 0.00 O ATOM 1482 OXT GLY A 102 0.750 24.195 -10.067 1.00 0.00 O ATOM 0 H GLY A 102 3.370 23.045 -8.437 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.792 23.349 -11.232 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.582 21.692 -10.700 1.00 0.00 H new TER 1486 GLY A 102