USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 842 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 29 LYS NZ :NH3+ 164:sc= 0.0778 (180deg=-0.534) USER MOD Set 1.2: A 74 CYS SG : rot -21:sc= -0.274 USER MOD Set 2.1: A 38 GLN : amide:sc= 0.474 K(o=2.2,f=-0.74!) USER MOD Set 2.2: A 47 SER OG : rot -100:sc= 1.74 USER MOD Set 3.1: A 19 SER OG : rot 71:sc= 0.571 USER MOD Set 3.2: B 201 LYS NZ :NH3+ 168:sc= -1.41 (180deg=-1.7) USER MOD Single : A 1 SER N :NH3+ 174:sc= 1.08 (180deg=0.973) USER MOD Single : A 1 SER OG : rot 39:sc= 1.33 USER MOD Single : A 6 LYS NZ :NH3+ 169:sc= -0.0102 (180deg=-0.16) USER MOD Single : A 7 CYS SG : rot 180:sc= -0.797 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -142:sc= -2.23! (180deg=-4.93!) USER MOD Single : A 11 SER OG : rot 91:sc= 1.24 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 128:sc= 1.34 (180deg=-0.471) USER MOD Single : A 17 GLN : amide:sc= 0.311 K(o=0.31,f=-0.7) USER MOD Single : A 23 ASN : amide:sc= -1.76! C(o=-1.8!,f=-6.2!) USER MOD Single : A 24 LYS NZ :NH3+ -160:sc= -0.319 (180deg=-0.963) USER MOD Single : A 35 HIS : no HD1:sc= -0.0233 X(o=-0.023,f=0) USER MOD Single : A 39 SER OG : rot -21:sc= 1.04 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 48 ASN : amide:sc= -0.397 K(o=-0.4,f=-5.5!) USER MOD Single : A 58 THR OG1 : rot -13:sc= 0.49 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= -1.27! (180deg=-1.27!) USER MOD Single : A 62 SER OG : rot 180:sc= -0.746 USER MOD Single : A 63 THR OG1 : rot 164:sc= 0.855 USER MOD Single : A 70 TYR OH : rot -9:sc= 1.25 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -54:sc= 1.32 USER MOD Single : A 77 LYS NZ :NH3+ 170:sc= -0.0356 (180deg=-0.194) USER MOD Single : A 78 LYS NZ :NH3+ 164:sc= -0.0249 (180deg=-0.26) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : B 203 THR OG1 : rot 180:sc= 0.0215 USER MOD Single : B 208 LYS NZ :NH3+ -154:sc= 0.559 (180deg=0.266) USER MOD Single : B 210 LYS NZ :NH3+ -162:sc= 1.27 (180deg=1.15) USER MOD Single : B 211 TYR OH : rot 180:sc= 0 USER MOD Single : B 213 ASN : amide:sc= 0.0189 X(o=0.019,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -18.505 2.720 9.012 1.00 0.00 N ATOM 2 CA SER A 1 -17.690 2.050 7.978 1.00 0.00 C ATOM 3 C SER A 1 -18.268 2.339 6.601 1.00 0.00 C ATOM 4 O SER A 1 -17.735 1.904 5.579 1.00 0.00 O ATOM 5 CB SER A 1 -17.654 0.541 8.238 1.00 0.00 C ATOM 6 OG SER A 1 -16.563 -0.080 7.569 1.00 0.00 O ATOM 0 H1 SER A 1 -18.169 2.439 9.955 1.00 0.00 H new ATOM 0 H2 SER A 1 -18.419 3.751 8.907 1.00 0.00 H new ATOM 0 H3 SER A 1 -19.501 2.443 8.902 1.00 0.00 H new ATOM 0 HA SER A 1 -16.670 2.434 8.018 1.00 0.00 H new ATOM 0 HB2 SER A 1 -17.576 0.358 9.310 1.00 0.00 H new ATOM 0 HB3 SER A 1 -18.589 0.091 7.905 1.00 0.00 H new ATOM 0 HG SER A 1 -15.774 0.500 7.621 1.00 0.00 H new ATOM 14 N GLU A 2 -19.348 3.112 6.581 1.00 0.00 N ATOM 15 CA GLU A 2 -20.058 3.409 5.348 1.00 0.00 C ATOM 16 C GLU A 2 -19.249 4.364 4.481 1.00 0.00 C ATOM 17 O GLU A 2 -19.534 4.540 3.301 1.00 0.00 O ATOM 18 CB GLU A 2 -21.442 4.003 5.636 1.00 0.00 C ATOM 19 CG GLU A 2 -22.360 3.101 6.455 1.00 0.00 C ATOM 20 CD GLU A 2 -22.090 3.169 7.947 1.00 0.00 C ATOM 21 OE1 GLU A 2 -22.796 3.925 8.642 1.00 0.00 O ATOM 22 OE2 GLU A 2 -21.175 2.466 8.439 1.00 0.00 O ATOM 0 H GLU A 2 -19.751 3.546 7.412 1.00 0.00 H new ATOM 0 HA GLU A 2 -20.194 2.472 4.808 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -21.315 4.947 6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -21.930 4.232 4.688 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -23.396 3.381 6.267 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -22.242 2.071 6.118 1.00 0.00 H new ATOM 29 N GLU A 3 -18.232 4.978 5.069 1.00 0.00 N ATOM 30 CA GLU A 3 -17.356 5.868 4.323 1.00 0.00 C ATOM 31 C GLU A 3 -16.259 5.046 3.659 1.00 0.00 C ATOM 32 O GLU A 3 -15.587 5.499 2.735 1.00 0.00 O ATOM 33 CB GLU A 3 -16.738 6.913 5.258 1.00 0.00 C ATOM 34 CG GLU A 3 -16.105 8.093 4.537 1.00 0.00 C ATOM 35 CD GLU A 3 -17.125 8.956 3.826 1.00 0.00 C ATOM 36 OE1 GLU A 3 -17.158 8.941 2.577 1.00 0.00 O ATOM 37 OE2 GLU A 3 -17.899 9.657 4.517 1.00 0.00 O ATOM 0 H GLU A 3 -17.994 4.877 6.056 1.00 0.00 H new ATOM 0 HA GLU A 3 -17.935 6.389 3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -17.510 7.284 5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.981 6.430 5.876 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.557 8.702 5.256 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.379 7.724 3.813 1.00 0.00 H new ATOM 44 N GLU A 4 -16.104 3.817 4.132 1.00 0.00 N ATOM 45 CA GLU A 4 -15.055 2.936 3.653 1.00 0.00 C ATOM 46 C GLU A 4 -15.556 2.071 2.506 1.00 0.00 C ATOM 47 O GLU A 4 -14.936 2.018 1.445 1.00 0.00 O ATOM 48 CB GLU A 4 -14.544 2.054 4.794 1.00 0.00 C ATOM 49 CG GLU A 4 -14.032 2.839 5.988 1.00 0.00 C ATOM 50 CD GLU A 4 -13.613 1.946 7.134 1.00 0.00 C ATOM 51 OE1 GLU A 4 -14.493 1.496 7.894 1.00 0.00 O ATOM 52 OE2 GLU A 4 -12.400 1.698 7.287 1.00 0.00 O ATOM 0 H GLU A 4 -16.698 3.408 4.853 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.234 3.551 3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.349 1.395 5.121 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -13.743 1.417 4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.184 3.450 5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.810 3.522 6.330 1.00 0.00 H new ATOM 59 N ASP A 5 -16.689 1.409 2.712 1.00 0.00 N ATOM 60 CA ASP A 5 -17.227 0.500 1.702 1.00 0.00 C ATOM 61 C ASP A 5 -17.820 1.276 0.531 1.00 0.00 C ATOM 62 O ASP A 5 -17.879 0.775 -0.593 1.00 0.00 O ATOM 63 CB ASP A 5 -18.289 -0.430 2.304 1.00 0.00 C ATOM 64 CG ASP A 5 -19.640 0.238 2.481 1.00 0.00 C ATOM 65 OD1 ASP A 5 -20.526 0.031 1.623 1.00 0.00 O ATOM 66 OD2 ASP A 5 -19.824 0.964 3.477 1.00 0.00 O ATOM 0 H ASP A 5 -17.250 1.482 3.561 1.00 0.00 H new ATOM 0 HA ASP A 5 -16.400 -0.109 1.336 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -18.404 -1.303 1.661 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -17.940 -0.791 3.272 1.00 0.00 H new ATOM 71 N LYS A 6 -18.239 2.506 0.789 1.00 0.00 N ATOM 72 CA LYS A 6 -18.862 3.321 -0.244 1.00 0.00 C ATOM 73 C LYS A 6 -17.820 4.170 -0.968 1.00 0.00 C ATOM 74 O LYS A 6 -18.101 4.747 -2.017 1.00 0.00 O ATOM 75 CB LYS A 6 -19.947 4.211 0.372 1.00 0.00 C ATOM 76 CG LYS A 6 -20.779 4.996 -0.650 1.00 0.00 C ATOM 77 CD LYS A 6 -21.424 4.078 -1.681 1.00 0.00 C ATOM 78 CE LYS A 6 -22.417 3.119 -1.041 1.00 0.00 C ATOM 79 NZ LYS A 6 -23.557 3.832 -0.404 1.00 0.00 N ATOM 0 H LYS A 6 -18.160 2.960 1.699 1.00 0.00 H new ATOM 0 HA LYS A 6 -19.324 2.658 -0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -20.616 3.589 0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -19.476 4.916 1.057 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -21.554 5.560 -0.131 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -20.142 5.721 -1.157 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -21.933 4.679 -2.435 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -20.650 3.509 -2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -22.797 2.434 -1.798 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -21.905 2.515 -0.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -24.295 3.146 -0.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -23.226 4.321 0.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -23.948 4.528 -1.071 1.00 0.00 H new ATOM 93 N CYS A 7 -16.616 4.232 -0.404 1.00 0.00 N ATOM 94 CA CYS A 7 -15.530 5.017 -0.985 1.00 0.00 C ATOM 95 C CYS A 7 -15.275 4.589 -2.427 1.00 0.00 C ATOM 96 O CYS A 7 -15.321 3.399 -2.754 1.00 0.00 O ATOM 97 CB CYS A 7 -14.247 4.858 -0.155 1.00 0.00 C ATOM 98 SG CYS A 7 -12.995 6.121 -0.482 1.00 0.00 S ATOM 0 H CYS A 7 -16.368 3.746 0.458 1.00 0.00 H new ATOM 0 HA CYS A 7 -15.825 6.066 -0.977 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -14.506 4.884 0.903 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.818 3.876 -0.354 1.00 0.00 H new ATOM 0 HG CYS A 7 -11.954 5.904 0.266 1.00 0.00 H new ATOM 104 N LYS A 8 -15.030 5.572 -3.283 1.00 0.00 N ATOM 105 CA LYS A 8 -14.844 5.334 -4.707 1.00 0.00 C ATOM 106 C LYS A 8 -13.617 4.458 -4.979 1.00 0.00 C ATOM 107 O LYS A 8 -12.608 4.534 -4.273 1.00 0.00 O ATOM 108 CB LYS A 8 -14.735 6.659 -5.456 1.00 0.00 C ATOM 109 CG LYS A 8 -13.508 7.477 -5.120 1.00 0.00 C ATOM 110 CD LYS A 8 -13.286 8.533 -6.177 1.00 0.00 C ATOM 111 CE LYS A 8 -12.002 9.314 -5.938 1.00 0.00 C ATOM 112 NZ LYS A 8 -11.759 10.332 -6.995 1.00 0.00 N ATOM 0 H LYS A 8 -14.955 6.552 -3.011 1.00 0.00 H new ATOM 0 HA LYS A 8 -15.718 4.794 -5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.738 6.456 -6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.622 7.255 -5.242 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.630 7.947 -4.144 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.635 6.828 -5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.247 8.061 -7.159 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.132 9.220 -6.187 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.053 9.806 -4.967 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.160 8.623 -5.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.874 10.839 -6.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.683 9.861 -7.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.549 11.008 -7.014 1.00 0.00 H new ATOM 126 N PRO A 9 -13.696 3.623 -6.025 1.00 0.00 N ATOM 127 CA PRO A 9 -12.651 2.650 -6.354 1.00 0.00 C ATOM 128 C PRO A 9 -11.390 3.306 -6.889 1.00 0.00 C ATOM 129 O PRO A 9 -11.448 4.301 -7.618 1.00 0.00 O ATOM 130 CB PRO A 9 -13.302 1.775 -7.427 1.00 0.00 C ATOM 131 CG PRO A 9 -14.322 2.652 -8.065 1.00 0.00 C ATOM 132 CD PRO A 9 -14.811 3.583 -6.990 1.00 0.00 C ATOM 0 HA PRO A 9 -12.324 2.094 -5.475 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.568 1.429 -8.154 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.761 0.888 -6.990 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.890 3.210 -8.896 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.143 2.061 -8.471 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.031 4.573 -7.388 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.727 3.215 -6.528 1.00 0.00 H new ATOM 140 N MET A 10 -10.254 2.746 -6.510 1.00 0.00 N ATOM 141 CA MET A 10 -8.962 3.263 -6.915 1.00 0.00 C ATOM 142 C MET A 10 -8.655 2.862 -8.357 1.00 0.00 C ATOM 143 O MET A 10 -8.650 1.676 -8.687 1.00 0.00 O ATOM 144 CB MET A 10 -7.875 2.753 -5.973 1.00 0.00 C ATOM 145 CG MET A 10 -6.592 3.545 -6.089 1.00 0.00 C ATOM 146 SD MET A 10 -6.766 5.215 -5.451 1.00 0.00 S ATOM 147 CE MET A 10 -5.685 5.161 -4.033 1.00 0.00 C ATOM 0 H MET A 10 -10.203 1.920 -5.913 1.00 0.00 H new ATOM 0 HA MET A 10 -8.987 4.351 -6.861 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.237 2.801 -4.946 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.672 1.704 -6.191 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.799 3.031 -5.546 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.286 3.587 -7.134 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.126 5.734 -3.217 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.549 4.126 -3.718 1.00 0.00 H new ATOM 0 HE3 MET A 10 -4.718 5.590 -4.296 1.00 0.00 H new ATOM 157 N SER A 11 -8.412 3.850 -9.212 1.00 0.00 N ATOM 158 CA SER A 11 -8.163 3.596 -10.630 1.00 0.00 C ATOM 159 C SER A 11 -6.750 3.058 -10.848 1.00 0.00 C ATOM 160 O SER A 11 -5.945 3.049 -9.918 1.00 0.00 O ATOM 161 CB SER A 11 -8.364 4.883 -11.428 1.00 0.00 C ATOM 162 OG SER A 11 -9.528 5.566 -10.994 1.00 0.00 O ATOM 0 H SER A 11 -8.382 4.835 -8.949 1.00 0.00 H new ATOM 0 HA SER A 11 -8.870 2.842 -10.976 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.493 5.528 -11.312 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.448 4.649 -12.489 1.00 0.00 H new ATOM 0 HG SER A 11 -9.291 6.196 -10.282 1.00 0.00 H new ATOM 168 N TYR A 12 -6.444 2.630 -12.070 1.00 0.00 N ATOM 169 CA TYR A 12 -5.140 2.038 -12.375 1.00 0.00 C ATOM 170 C TYR A 12 -3.998 2.984 -12.036 1.00 0.00 C ATOM 171 O TYR A 12 -3.107 2.639 -11.256 1.00 0.00 O ATOM 172 CB TYR A 12 -5.056 1.627 -13.856 1.00 0.00 C ATOM 173 CG TYR A 12 -3.633 1.426 -14.354 1.00 0.00 C ATOM 174 CD1 TYR A 12 -2.721 0.661 -13.636 1.00 0.00 C ATOM 175 CD2 TYR A 12 -3.199 2.018 -15.533 1.00 0.00 C ATOM 176 CE1 TYR A 12 -1.424 0.495 -14.068 1.00 0.00 C ATOM 177 CE2 TYR A 12 -1.901 1.852 -15.978 1.00 0.00 C ATOM 178 CZ TYR A 12 -1.018 1.092 -15.242 1.00 0.00 C ATOM 179 OH TYR A 12 0.277 0.934 -15.680 1.00 0.00 O ATOM 0 H TYR A 12 -7.079 2.681 -12.866 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.040 1.149 -11.753 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.616 0.703 -14.000 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.540 2.391 -14.464 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.037 0.186 -12.719 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.887 2.617 -16.111 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.730 -0.099 -13.491 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.580 2.316 -16.899 1.00 0.00 H new ATOM 0 HH TYR A 12 0.398 1.418 -16.523 1.00 0.00 H new ATOM 189 N GLU A 13 -4.024 4.170 -12.614 1.00 0.00 N ATOM 190 CA GLU A 13 -2.946 5.125 -12.424 1.00 0.00 C ATOM 191 C GLU A 13 -2.868 5.577 -10.973 1.00 0.00 C ATOM 192 O GLU A 13 -1.828 6.057 -10.519 1.00 0.00 O ATOM 193 CB GLU A 13 -3.125 6.315 -13.358 1.00 0.00 C ATOM 194 CG GLU A 13 -3.007 5.931 -14.822 1.00 0.00 C ATOM 195 CD GLU A 13 -3.225 7.106 -15.746 1.00 0.00 C ATOM 196 OE1 GLU A 13 -4.307 7.192 -16.364 1.00 0.00 O ATOM 197 OE2 GLU A 13 -2.318 7.958 -15.846 1.00 0.00 O ATOM 0 H GLU A 13 -4.778 4.496 -13.218 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.004 4.634 -12.668 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.101 6.766 -13.182 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.377 7.072 -13.123 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.020 5.507 -15.005 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.735 5.153 -15.050 1.00 0.00 H new ATOM 204 N GLU A 14 -3.955 5.386 -10.240 1.00 0.00 N ATOM 205 CA GLU A 14 -3.968 5.681 -8.823 1.00 0.00 C ATOM 206 C GLU A 14 -3.327 4.530 -8.070 1.00 0.00 C ATOM 207 O GLU A 14 -2.471 4.736 -7.222 1.00 0.00 O ATOM 208 CB GLU A 14 -5.398 5.893 -8.330 1.00 0.00 C ATOM 209 CG GLU A 14 -6.078 7.149 -8.848 1.00 0.00 C ATOM 210 CD GLU A 14 -7.483 7.310 -8.294 1.00 0.00 C ATOM 211 OE1 GLU A 14 -8.421 6.682 -8.835 1.00 0.00 O ATOM 212 OE2 GLU A 14 -7.659 8.067 -7.315 1.00 0.00 O ATOM 0 H GLU A 14 -4.837 5.028 -10.607 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.406 6.598 -8.645 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.997 5.029 -8.618 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.389 5.926 -7.241 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.481 8.021 -8.579 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.120 7.115 -9.937 1.00 0.00 H new ATOM 219 N LYS A 15 -3.763 3.319 -8.396 1.00 0.00 N ATOM 220 CA LYS A 15 -3.184 2.102 -7.868 1.00 0.00 C ATOM 221 C LYS A 15 -1.678 2.045 -8.077 1.00 0.00 C ATOM 222 O LYS A 15 -0.928 1.771 -7.142 1.00 0.00 O ATOM 223 CB LYS A 15 -3.831 0.895 -8.531 1.00 0.00 C ATOM 224 CG LYS A 15 -5.219 0.588 -8.001 1.00 0.00 C ATOM 225 CD LYS A 15 -5.631 -0.830 -8.345 1.00 0.00 C ATOM 226 CE LYS A 15 -6.867 -1.263 -7.581 1.00 0.00 C ATOM 227 NZ LYS A 15 -7.509 -2.446 -8.208 1.00 0.00 N ATOM 0 H LYS A 15 -4.537 3.159 -9.041 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.372 2.091 -6.794 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.891 1.069 -9.605 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.193 0.024 -8.384 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.237 0.724 -6.920 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.937 1.291 -8.423 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.823 -0.902 -9.416 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.810 -1.511 -8.121 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.596 -1.498 -6.552 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.579 -0.439 -7.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.651 -3.185 -7.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.428 -2.171 -8.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.897 -2.812 -8.965 1.00 0.00 H new ATOM 241 N ARG A 16 -1.242 2.286 -9.307 1.00 0.00 N ATOM 242 CA ARG A 16 0.177 2.284 -9.616 1.00 0.00 C ATOM 243 C ARG A 16 0.903 3.319 -8.793 1.00 0.00 C ATOM 244 O ARG A 16 1.955 3.027 -8.222 1.00 0.00 O ATOM 245 CB ARG A 16 0.427 2.519 -11.111 1.00 0.00 C ATOM 246 CG ARG A 16 1.737 3.249 -11.411 1.00 0.00 C ATOM 247 CD ARG A 16 2.168 3.075 -12.851 1.00 0.00 C ATOM 248 NE ARG A 16 3.244 3.991 -13.219 1.00 0.00 N ATOM 249 CZ ARG A 16 4.255 3.663 -14.022 1.00 0.00 C ATOM 250 NH1 ARG A 16 4.361 2.426 -14.492 1.00 0.00 N ATOM 251 NH2 ARG A 16 5.168 4.571 -14.345 1.00 0.00 N ATOM 0 H ARG A 16 -1.850 2.484 -10.102 1.00 0.00 H new ATOM 0 HA ARG A 16 0.567 1.298 -9.362 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.432 1.558 -11.624 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.402 3.096 -11.522 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.618 4.311 -11.194 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.520 2.875 -10.751 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.498 2.048 -13.008 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.313 3.239 -13.507 1.00 0.00 H new ATOM 0 HE ARG A 16 3.220 4.937 -12.839 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.667 1.723 -14.239 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.137 2.179 -15.107 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.095 5.520 -13.978 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.942 4.320 -14.960 1.00 0.00 H new ATOM 265 N GLN A 17 0.348 4.519 -8.708 1.00 0.00 N ATOM 266 CA GLN A 17 1.001 5.544 -7.937 1.00 0.00 C ATOM 267 C GLN A 17 0.965 5.168 -6.464 1.00 0.00 C ATOM 268 O GLN A 17 1.931 5.368 -5.755 1.00 0.00 O ATOM 269 CB GLN A 17 0.390 6.930 -8.195 1.00 0.00 C ATOM 270 CG GLN A 17 1.160 8.040 -7.510 1.00 0.00 C ATOM 271 CD GLN A 17 2.589 8.129 -8.003 1.00 0.00 C ATOM 272 OE1 GLN A 17 2.872 7.883 -9.179 1.00 0.00 O ATOM 273 NE2 GLN A 17 3.506 8.432 -7.103 1.00 0.00 N ATOM 0 H GLN A 17 -0.528 4.794 -9.152 1.00 0.00 H new ATOM 0 HA GLN A 17 2.042 5.612 -8.252 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.365 7.118 -9.268 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.642 6.939 -7.846 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.657 8.991 -7.684 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.158 7.871 -6.433 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.231 8.629 -6.141 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.490 8.469 -7.370 1.00 0.00 H new ATOM 282 N LEU A 18 -0.124 4.540 -6.049 1.00 0.00 N ATOM 283 CA LEU A 18 -0.331 4.145 -4.672 1.00 0.00 C ATOM 284 C LEU A 18 0.707 3.131 -4.232 1.00 0.00 C ATOM 285 O LEU A 18 1.278 3.251 -3.152 1.00 0.00 O ATOM 286 CB LEU A 18 -1.740 3.583 -4.492 1.00 0.00 C ATOM 287 CG LEU A 18 -2.486 4.081 -3.252 1.00 0.00 C ATOM 288 CD1 LEU A 18 -2.303 3.125 -2.093 1.00 0.00 C ATOM 289 CD2 LEU A 18 -1.977 5.429 -2.819 1.00 0.00 C ATOM 0 H LEU A 18 -0.895 4.289 -6.668 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.221 5.029 -4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.329 3.832 -5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.677 2.496 -4.447 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.540 4.149 -3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.842 3.500 -1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.692 2.144 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.243 3.041 -1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.525 5.758 -1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.915 5.358 -2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.122 6.149 -3.625 1.00 0.00 H new ATOM 301 N SER A 19 0.957 2.138 -5.077 1.00 0.00 N ATOM 302 CA SER A 19 1.997 1.162 -4.803 1.00 0.00 C ATOM 303 C SER A 19 3.336 1.875 -4.651 1.00 0.00 C ATOM 304 O SER A 19 4.187 1.480 -3.854 1.00 0.00 O ATOM 305 CB SER A 19 2.079 0.143 -5.936 1.00 0.00 C ATOM 306 OG SER A 19 0.794 -0.368 -6.267 1.00 0.00 O ATOM 0 H SER A 19 0.455 1.990 -5.953 1.00 0.00 H new ATOM 0 HA SER A 19 1.757 0.637 -3.878 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.525 0.609 -6.815 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.734 -0.677 -5.643 1.00 0.00 H new ATOM 0 HG SER A 19 0.268 0.331 -6.710 1.00 0.00 H new ATOM 312 N LEU A 20 3.493 2.940 -5.425 1.00 0.00 N ATOM 313 CA LEU A 20 4.699 3.759 -5.381 1.00 0.00 C ATOM 314 C LEU A 20 4.759 4.629 -4.110 1.00 0.00 C ATOM 315 O LEU A 20 5.778 4.636 -3.421 1.00 0.00 O ATOM 316 CB LEU A 20 4.779 4.627 -6.638 1.00 0.00 C ATOM 317 CG LEU A 20 4.919 3.854 -7.952 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.847 4.790 -9.150 1.00 0.00 C ATOM 319 CD2 LEU A 20 6.218 3.076 -7.964 1.00 0.00 C ATOM 0 H LEU A 20 2.795 3.260 -6.096 1.00 0.00 H new ATOM 0 HA LEU A 20 5.560 3.091 -5.349 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.883 5.245 -6.692 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.628 5.304 -6.540 1.00 0.00 H new ATOM 0 HG LEU A 20 4.087 3.153 -8.025 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.949 4.213 -10.069 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.887 5.307 -9.151 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.653 5.521 -9.089 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.307 2.530 -8.903 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.056 3.766 -7.865 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.228 2.371 -7.133 1.00 0.00 H new ATOM 331 N ASP A 21 3.681 5.368 -3.803 1.00 0.00 N ATOM 332 CA ASP A 21 3.593 6.144 -2.572 1.00 0.00 C ATOM 333 C ASP A 21 3.897 5.263 -1.365 1.00 0.00 C ATOM 334 O ASP A 21 4.600 5.663 -0.430 1.00 0.00 O ATOM 335 CB ASP A 21 2.228 6.788 -2.424 1.00 0.00 C ATOM 336 CG ASP A 21 1.601 7.264 -3.721 1.00 0.00 C ATOM 337 OD1 ASP A 21 0.397 7.020 -3.933 1.00 0.00 O ATOM 338 OD2 ASP A 21 2.299 7.940 -4.509 1.00 0.00 O ATOM 0 H ASP A 21 2.857 5.439 -4.400 1.00 0.00 H new ATOM 0 HA ASP A 21 4.336 6.940 -2.624 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.554 6.072 -1.953 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.315 7.637 -1.746 1.00 0.00 H new ATOM 343 N ILE A 22 3.403 4.040 -1.426 1.00 0.00 N ATOM 344 CA ILE A 22 3.609 3.064 -0.364 1.00 0.00 C ATOM 345 C ILE A 22 5.062 2.582 -0.312 1.00 0.00 C ATOM 346 O ILE A 22 5.613 2.373 0.764 1.00 0.00 O ATOM 347 CB ILE A 22 2.652 1.862 -0.518 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.208 2.285 -0.250 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.035 0.750 0.436 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.198 1.243 -0.664 1.00 0.00 C ATOM 0 H ILE A 22 2.849 3.693 -2.209 1.00 0.00 H new ATOM 0 HA ILE A 22 3.387 3.566 0.578 1.00 0.00 H new ATOM 0 HB ILE A 22 2.734 1.499 -1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.089 2.495 0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.003 3.213 -0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.349 -0.088 0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.052 0.421 0.222 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.980 1.115 1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.807 1.604 -0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.292 1.050 -1.733 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.379 0.321 -0.111 1.00 0.00 H new ATOM 362 N ASN A 23 5.693 2.434 -1.467 1.00 0.00 N ATOM 363 CA ASN A 23 7.059 1.914 -1.517 1.00 0.00 C ATOM 364 C ASN A 23 8.079 3.012 -1.214 1.00 0.00 C ATOM 365 O ASN A 23 9.244 2.727 -0.931 1.00 0.00 O ATOM 366 CB ASN A 23 7.340 1.249 -2.875 1.00 0.00 C ATOM 367 CG ASN A 23 8.113 2.119 -3.859 1.00 0.00 C ATOM 368 OD1 ASN A 23 7.537 2.890 -4.620 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.428 1.970 -3.877 1.00 0.00 N ATOM 0 H ASN A 23 5.290 2.663 -2.376 1.00 0.00 H new ATOM 0 HA ASN A 23 7.159 1.152 -0.744 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.900 0.329 -2.706 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.391 0.965 -3.329 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.993 2.505 -4.537 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.877 1.321 -3.231 1.00 0.00 H new ATOM 376 N LYS A 24 7.642 4.266 -1.289 1.00 0.00 N ATOM 377 CA LYS A 24 8.462 5.395 -0.862 1.00 0.00 C ATOM 378 C LYS A 24 8.686 5.359 0.639 1.00 0.00 C ATOM 379 O LYS A 24 9.721 5.813 1.132 1.00 0.00 O ATOM 380 CB LYS A 24 7.786 6.708 -1.219 1.00 0.00 C ATOM 381 CG LYS A 24 7.810 7.045 -2.694 1.00 0.00 C ATOM 382 CD LYS A 24 6.678 7.984 -3.024 1.00 0.00 C ATOM 383 CE LYS A 24 6.878 8.714 -4.321 1.00 0.00 C ATOM 384 NZ LYS A 24 8.298 9.094 -4.556 1.00 0.00 N ATOM 0 H LYS A 24 6.721 4.526 -1.643 1.00 0.00 H new ATOM 0 HA LYS A 24 9.420 5.321 -1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.749 6.671 -0.884 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.271 7.513 -0.667 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.763 7.504 -2.956 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.722 6.134 -3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.747 7.419 -3.072 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.569 8.710 -2.218 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.534 8.086 -5.143 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.261 9.612 -4.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.341 9.862 -5.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.724 9.416 -3.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.823 8.270 -4.913 1.00 0.00 H new ATOM 398 N LEU A 25 7.696 4.846 1.362 1.00 0.00 N ATOM 399 CA LEU A 25 7.781 4.733 2.806 1.00 0.00 C ATOM 400 C LEU A 25 9.014 3.949 3.228 1.00 0.00 C ATOM 401 O LEU A 25 9.446 3.025 2.537 1.00 0.00 O ATOM 402 CB LEU A 25 6.558 4.015 3.358 1.00 0.00 C ATOM 403 CG LEU A 25 5.203 4.521 2.890 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.127 3.613 3.443 1.00 0.00 C ATOM 405 CD2 LEU A 25 4.968 5.952 3.346 1.00 0.00 C ATOM 0 H LEU A 25 6.822 4.501 0.965 1.00 0.00 H new ATOM 0 HA LEU A 25 7.838 5.747 3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.636 2.959 3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.588 4.078 4.446 1.00 0.00 H new ATOM 0 HG LEU A 25 5.175 4.512 1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.149 3.965 3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.287 2.597 3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.168 3.621 4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.992 6.289 2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.000 5.997 4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.743 6.597 2.933 1.00 0.00 H new ATOM 417 N PRO A 26 9.612 4.335 4.357 1.00 0.00 N ATOM 418 CA PRO A 26 10.634 3.524 5.011 1.00 0.00 C ATOM 419 C PRO A 26 10.086 2.145 5.374 1.00 0.00 C ATOM 420 O PRO A 26 8.869 1.976 5.514 1.00 0.00 O ATOM 421 CB PRO A 26 10.999 4.305 6.276 1.00 0.00 C ATOM 422 CG PRO A 26 10.430 5.680 6.102 1.00 0.00 C ATOM 423 CD PRO A 26 9.354 5.604 5.049 1.00 0.00 C ATOM 0 HA PRO A 26 11.495 3.353 4.365 1.00 0.00 H new ATOM 0 HB2 PRO A 26 10.587 3.823 7.163 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.080 4.346 6.409 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.018 6.045 7.043 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.209 6.381 5.802 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.359 5.619 5.495 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.408 6.449 4.363 1.00 0.00 H new ATOM 431 N GLY A 27 10.981 1.173 5.534 1.00 0.00 N ATOM 432 CA GLY A 27 10.577 -0.213 5.726 1.00 0.00 C ATOM 433 C GLY A 27 9.493 -0.398 6.773 1.00 0.00 C ATOM 434 O GLY A 27 8.491 -1.069 6.522 1.00 0.00 O ATOM 0 H GLY A 27 11.990 1.322 5.534 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.223 -0.613 4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.450 -0.799 6.013 1.00 0.00 H new ATOM 438 N GLU A 28 9.683 0.214 7.936 1.00 0.00 N ATOM 439 CA GLU A 28 8.749 0.054 9.048 1.00 0.00 C ATOM 440 C GLU A 28 7.364 0.631 8.717 1.00 0.00 C ATOM 441 O GLU A 28 6.342 0.158 9.224 1.00 0.00 O ATOM 442 CB GLU A 28 9.337 0.694 10.318 1.00 0.00 C ATOM 443 CG GLU A 28 8.975 2.129 10.556 1.00 0.00 C ATOM 444 CD GLU A 28 9.701 3.088 9.630 1.00 0.00 C ATOM 445 OE1 GLU A 28 9.040 3.772 8.831 1.00 0.00 O ATOM 446 OE2 GLU A 28 10.946 3.157 9.704 1.00 0.00 O ATOM 0 H GLU A 28 10.475 0.826 8.135 1.00 0.00 H new ATOM 0 HA GLU A 28 8.607 -1.012 9.227 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.013 0.110 11.179 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.423 0.616 10.271 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.900 2.252 10.427 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.204 2.388 11.590 1.00 0.00 H new ATOM 453 N LYS A 29 7.323 1.634 7.844 1.00 0.00 N ATOM 454 CA LYS A 29 6.057 2.249 7.457 1.00 0.00 C ATOM 455 C LYS A 29 5.261 1.348 6.517 1.00 0.00 C ATOM 456 O LYS A 29 4.034 1.397 6.496 1.00 0.00 O ATOM 457 CB LYS A 29 6.265 3.612 6.790 1.00 0.00 C ATOM 458 CG LYS A 29 6.383 4.824 7.732 1.00 0.00 C ATOM 459 CD LYS A 29 5.730 4.639 9.101 1.00 0.00 C ATOM 460 CE LYS A 29 6.027 5.834 9.991 1.00 0.00 C ATOM 461 NZ LYS A 29 6.252 7.078 9.205 1.00 0.00 N ATOM 0 H LYS A 29 8.146 2.036 7.394 1.00 0.00 H new ATOM 0 HA LYS A 29 5.493 2.392 8.379 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.169 3.561 6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.433 3.789 6.108 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.439 5.052 7.877 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.934 5.690 7.245 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.653 4.522 8.985 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.101 3.727 9.569 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.197 5.987 10.680 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.909 5.624 10.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.181 7.903 9.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.198 7.050 8.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.534 7.150 8.457 1.00 0.00 H new ATOM 475 N LEU A 30 5.934 0.494 5.758 1.00 0.00 N ATOM 476 CA LEU A 30 5.201 -0.453 4.920 1.00 0.00 C ATOM 477 C LEU A 30 4.599 -1.548 5.792 1.00 0.00 C ATOM 478 O LEU A 30 3.733 -2.301 5.356 1.00 0.00 O ATOM 479 CB LEU A 30 6.065 -1.065 3.817 1.00 0.00 C ATOM 480 CG LEU A 30 6.486 -0.127 2.691 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.927 0.292 2.846 1.00 0.00 C ATOM 482 CD2 LEU A 30 6.280 -0.792 1.343 1.00 0.00 C ATOM 0 H LEU A 30 6.951 0.434 5.702 1.00 0.00 H new ATOM 0 HA LEU A 30 4.408 0.103 4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.965 -1.475 4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.520 -1.902 3.380 1.00 0.00 H new ATOM 0 HG LEU A 30 5.862 0.765 2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.201 0.961 2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.055 0.809 3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.567 -0.590 2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.585 -0.109 0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.880 -1.701 1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.227 -1.044 1.219 1.00 0.00 H new ATOM 494 N GLY A 31 5.037 -1.596 7.041 1.00 0.00 N ATOM 495 CA GLY A 31 4.483 -2.536 7.994 1.00 0.00 C ATOM 496 C GLY A 31 3.056 -2.183 8.352 1.00 0.00 C ATOM 497 O GLY A 31 2.305 -3.009 8.871 1.00 0.00 O ATOM 0 H GLY A 31 5.772 -0.996 7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.517 -3.542 7.576 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.095 -2.545 8.896 1.00 0.00 H new ATOM 501 N ARG A 32 2.691 -0.947 8.068 1.00 0.00 N ATOM 502 CA ARG A 32 1.324 -0.478 8.273 1.00 0.00 C ATOM 503 C ARG A 32 0.415 -0.925 7.131 1.00 0.00 C ATOM 504 O ARG A 32 -0.643 -1.496 7.370 1.00 0.00 O ATOM 505 CB ARG A 32 1.287 1.045 8.403 1.00 0.00 C ATOM 506 CG ARG A 32 -0.110 1.644 8.234 1.00 0.00 C ATOM 507 CD ARG A 32 -0.734 2.017 9.567 1.00 0.00 C ATOM 508 NE ARG A 32 -2.155 2.337 9.438 1.00 0.00 N ATOM 509 CZ ARG A 32 -3.126 1.718 10.114 1.00 0.00 C ATOM 510 NH1 ARG A 32 -2.837 0.737 10.967 1.00 0.00 N ATOM 511 NH2 ARG A 32 -4.388 2.083 9.933 1.00 0.00 N ATOM 0 H ARG A 32 3.324 -0.241 7.692 1.00 0.00 H new ATOM 0 HA ARG A 32 0.958 -0.919 9.200 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.677 1.327 9.381 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.952 1.480 7.657 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.051 2.529 7.601 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.752 0.928 7.721 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.611 1.192 10.268 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.206 2.873 9.987 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.421 3.079 8.791 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.868 0.453 11.108 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.585 0.270 11.479 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.613 2.833 9.280 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.133 1.613 10.447 1.00 0.00 H new ATOM 525 N VAL A 33 0.826 -0.662 5.894 1.00 0.00 N ATOM 526 CA VAL A 33 0.030 -1.044 4.730 1.00 0.00 C ATOM 527 C VAL A 33 -0.156 -2.549 4.655 1.00 0.00 C ATOM 528 O VAL A 33 -1.250 -3.012 4.352 1.00 0.00 O ATOM 529 CB VAL A 33 0.636 -0.534 3.410 1.00 0.00 C ATOM 530 CG1 VAL A 33 0.289 0.927 3.200 1.00 0.00 C ATOM 531 CG2 VAL A 33 2.137 -0.723 3.390 1.00 0.00 C ATOM 0 H VAL A 33 1.701 -0.188 5.671 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.942 -0.569 4.861 1.00 0.00 H new ATOM 0 HB VAL A 33 0.210 -1.119 2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.724 1.273 2.263 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.794 1.042 3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.687 1.518 4.025 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.538 -0.354 2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.584 -0.169 4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.372 -1.782 3.494 1.00 0.00 H new ATOM 541 N VAL A 34 0.893 -3.315 4.943 1.00 0.00 N ATOM 542 CA VAL A 34 0.759 -4.761 4.973 1.00 0.00 C ATOM 543 C VAL A 34 -0.246 -5.156 6.047 1.00 0.00 C ATOM 544 O VAL A 34 -1.072 -6.032 5.837 1.00 0.00 O ATOM 545 CB VAL A 34 2.109 -5.484 5.201 1.00 0.00 C ATOM 546 CG1 VAL A 34 3.141 -5.029 4.187 1.00 0.00 C ATOM 547 CG2 VAL A 34 2.627 -5.279 6.612 1.00 0.00 C ATOM 0 H VAL A 34 1.827 -2.963 5.155 1.00 0.00 H new ATOM 0 HA VAL A 34 0.401 -5.078 3.994 1.00 0.00 H new ATOM 0 HB VAL A 34 1.932 -6.551 5.066 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.082 -5.550 4.366 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.787 -5.255 3.181 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.297 -3.955 4.284 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.576 -5.802 6.731 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.774 -4.215 6.794 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.904 -5.673 7.326 1.00 0.00 H new ATOM 557 N HIS A 35 -0.204 -4.456 7.176 1.00 0.00 N ATOM 558 CA HIS A 35 -1.141 -4.690 8.263 1.00 0.00 C ATOM 559 C HIS A 35 -2.561 -4.334 7.824 1.00 0.00 C ATOM 560 O HIS A 35 -3.507 -5.066 8.115 1.00 0.00 O ATOM 561 CB HIS A 35 -0.722 -3.886 9.500 1.00 0.00 C ATOM 562 CG HIS A 35 -1.689 -3.962 10.643 1.00 0.00 C ATOM 563 ND1 HIS A 35 -1.616 -4.918 11.633 1.00 0.00 N ATOM 564 CD2 HIS A 35 -2.756 -3.187 10.950 1.00 0.00 C ATOM 565 CE1 HIS A 35 -2.595 -4.730 12.496 1.00 0.00 C ATOM 566 NE2 HIS A 35 -3.301 -3.686 12.105 1.00 0.00 N ATOM 0 H HIS A 35 0.475 -3.717 7.360 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.128 -5.748 8.526 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.251 -4.243 9.838 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.597 -2.842 9.214 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.111 -2.335 10.390 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -2.787 -5.329 13.374 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.120 -3.311 12.584 1.00 0.00 H new ATOM 575 N ILE A 36 -2.709 -3.211 7.127 1.00 0.00 N ATOM 576 CA ILE A 36 -4.005 -2.820 6.587 1.00 0.00 C ATOM 577 C ILE A 36 -4.486 -3.848 5.573 1.00 0.00 C ATOM 578 O ILE A 36 -5.517 -4.478 5.771 1.00 0.00 O ATOM 579 CB ILE A 36 -3.984 -1.427 5.917 1.00 0.00 C ATOM 580 CG1 ILE A 36 -3.665 -0.334 6.930 1.00 0.00 C ATOM 581 CG2 ILE A 36 -5.341 -1.161 5.282 1.00 0.00 C ATOM 582 CD1 ILE A 36 -3.353 1.000 6.289 1.00 0.00 C ATOM 0 H ILE A 36 -1.951 -2.559 6.924 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.688 -2.770 7.435 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.205 -1.417 5.155 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.512 -0.216 7.606 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.815 -0.646 7.536 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.334 -0.180 4.807 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.548 -1.925 4.533 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.114 -1.187 6.050 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.135 1.734 7.065 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.488 0.896 5.634 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.211 1.333 5.705 1.00 0.00 H new ATOM 594 N ILE A 37 -3.728 -4.022 4.498 1.00 0.00 N ATOM 595 CA ILE A 37 -4.080 -4.980 3.458 1.00 0.00 C ATOM 596 C ILE A 37 -4.402 -6.363 4.037 1.00 0.00 C ATOM 597 O ILE A 37 -5.467 -6.892 3.785 1.00 0.00 O ATOM 598 CB ILE A 37 -2.970 -5.112 2.407 1.00 0.00 C ATOM 599 CG1 ILE A 37 -3.004 -3.923 1.456 1.00 0.00 C ATOM 600 CG2 ILE A 37 -3.130 -6.407 1.636 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.685 -3.216 1.332 1.00 0.00 C ATOM 0 H ILE A 37 -2.863 -3.511 4.323 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.976 -4.588 2.976 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.006 -5.126 2.915 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.317 -4.266 0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.756 -3.214 1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.336 -6.489 0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.071 -7.250 2.324 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.098 -6.415 1.135 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.784 -2.380 0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.379 -2.843 2.309 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.933 -3.911 0.958 1.00 0.00 H new ATOM 613 N GLN A 38 -3.492 -6.931 4.828 1.00 0.00 N ATOM 614 CA GLN A 38 -3.684 -8.280 5.372 1.00 0.00 C ATOM 615 C GLN A 38 -4.980 -8.383 6.184 1.00 0.00 C ATOM 616 O GLN A 38 -5.706 -9.371 6.078 1.00 0.00 O ATOM 617 CB GLN A 38 -2.488 -8.684 6.242 1.00 0.00 C ATOM 618 CG GLN A 38 -1.238 -9.034 5.448 1.00 0.00 C ATOM 619 CD GLN A 38 0.019 -9.053 6.301 1.00 0.00 C ATOM 620 OE1 GLN A 38 0.121 -8.342 7.299 1.00 0.00 O ATOM 621 NE2 GLN A 38 0.991 -9.857 5.906 1.00 0.00 N ATOM 0 H GLN A 38 -2.619 -6.483 5.107 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.760 -8.965 4.527 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.256 -7.867 6.925 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.769 -9.541 6.854 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.371 -10.011 4.984 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.112 -8.312 4.641 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.870 -10.432 5.072 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.862 -9.902 6.435 1.00 0.00 H new ATOM 630 N SER A 39 -5.273 -7.363 6.989 1.00 0.00 N ATOM 631 CA SER A 39 -6.466 -7.363 7.818 1.00 0.00 C ATOM 632 C SER A 39 -7.735 -7.179 6.982 1.00 0.00 C ATOM 633 O SER A 39 -8.780 -7.771 7.269 1.00 0.00 O ATOM 634 CB SER A 39 -6.366 -6.263 8.876 1.00 0.00 C ATOM 635 OG SER A 39 -6.243 -4.978 8.293 1.00 0.00 O ATOM 0 H SER A 39 -4.696 -6.527 7.081 1.00 0.00 H new ATOM 0 HA SER A 39 -6.533 -8.334 8.310 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.251 -6.290 9.512 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.506 -6.454 9.518 1.00 0.00 H new ATOM 0 HG SER A 39 -5.916 -5.066 7.373 1.00 0.00 H new ATOM 641 N ARG A 40 -7.637 -6.348 5.955 1.00 0.00 N ATOM 642 CA ARG A 40 -8.770 -6.053 5.089 1.00 0.00 C ATOM 643 C ARG A 40 -8.945 -7.136 4.027 1.00 0.00 C ATOM 644 O ARG A 40 -10.041 -7.346 3.511 1.00 0.00 O ATOM 645 CB ARG A 40 -8.582 -4.679 4.436 1.00 0.00 C ATOM 646 CG ARG A 40 -8.342 -3.573 5.446 1.00 0.00 C ATOM 647 CD ARG A 40 -9.227 -2.373 5.200 1.00 0.00 C ATOM 648 NE ARG A 40 -9.135 -1.413 6.299 1.00 0.00 N ATOM 649 CZ ARG A 40 -10.086 -0.533 6.618 1.00 0.00 C ATOM 650 NH1 ARG A 40 -11.203 -0.458 5.908 1.00 0.00 N ATOM 651 NH2 ARG A 40 -9.926 0.272 7.657 1.00 0.00 N ATOM 0 H ARG A 40 -6.777 -5.862 5.699 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.675 -6.035 5.696 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.740 -4.723 3.746 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.466 -4.439 3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.522 -3.955 6.451 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.297 -3.266 5.405 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.938 -1.890 4.267 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.261 -2.698 5.084 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.284 -1.416 6.861 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.342 -1.077 5.109 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.923 0.218 6.161 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.074 0.220 8.216 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.655 0.944 7.899 1.00 0.00 H new ATOM 665 N GLU A 41 -7.860 -7.829 3.719 1.00 0.00 N ATOM 666 CA GLU A 41 -7.867 -8.891 2.726 1.00 0.00 C ATOM 667 C GLU A 41 -7.486 -10.221 3.379 1.00 0.00 C ATOM 668 O GLU A 41 -6.325 -10.637 3.327 1.00 0.00 O ATOM 669 CB GLU A 41 -6.884 -8.562 1.604 1.00 0.00 C ATOM 670 CG GLU A 41 -7.028 -7.150 1.053 1.00 0.00 C ATOM 671 CD GLU A 41 -8.344 -6.925 0.332 1.00 0.00 C ATOM 672 OE1 GLU A 41 -8.944 -5.842 0.498 1.00 0.00 O ATOM 673 OE2 GLU A 41 -8.795 -7.832 -0.395 1.00 0.00 O ATOM 0 H GLU A 41 -6.950 -7.671 4.151 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.870 -8.976 2.307 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.867 -8.695 1.974 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.023 -9.275 0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.942 -6.436 1.872 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.205 -6.948 0.367 1.00 0.00 H new ATOM 680 N PRO A 42 -8.460 -10.903 4.012 1.00 0.00 N ATOM 681 CA PRO A 42 -8.221 -12.155 4.755 1.00 0.00 C ATOM 682 C PRO A 42 -7.602 -13.285 3.922 1.00 0.00 C ATOM 683 O PRO A 42 -7.241 -14.331 4.463 1.00 0.00 O ATOM 684 CB PRO A 42 -9.619 -12.569 5.226 1.00 0.00 C ATOM 685 CG PRO A 42 -10.423 -11.317 5.209 1.00 0.00 C ATOM 686 CD PRO A 42 -9.876 -10.487 4.085 1.00 0.00 C ATOM 0 HA PRO A 42 -7.497 -11.984 5.552 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.050 -13.322 4.567 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.586 -13.002 6.226 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.480 -11.534 5.054 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.342 -10.789 6.159 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.401 -10.681 3.150 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.972 -9.421 4.289 1.00 0.00 H new ATOM 694 N SER A 43 -7.467 -13.083 2.619 1.00 0.00 N ATOM 695 CA SER A 43 -6.981 -14.138 1.739 1.00 0.00 C ATOM 696 C SER A 43 -5.464 -14.060 1.543 1.00 0.00 C ATOM 697 O SER A 43 -4.890 -14.849 0.792 1.00 0.00 O ATOM 698 CB SER A 43 -7.696 -14.062 0.382 1.00 0.00 C ATOM 699 OG SER A 43 -9.104 -14.026 0.560 1.00 0.00 O ATOM 0 H SER A 43 -7.685 -12.204 2.149 1.00 0.00 H new ATOM 0 HA SER A 43 -7.203 -15.095 2.212 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.370 -13.173 -0.158 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.423 -14.923 -0.228 1.00 0.00 H new ATOM 0 HG SER A 43 -9.543 -13.976 -0.315 1.00 0.00 H new ATOM 705 N LEU A 44 -4.808 -13.116 2.212 1.00 0.00 N ATOM 706 CA LEU A 44 -3.361 -12.976 2.077 1.00 0.00 C ATOM 707 C LEU A 44 -2.669 -12.839 3.428 1.00 0.00 C ATOM 708 O LEU A 44 -1.577 -12.293 3.514 1.00 0.00 O ATOM 709 CB LEU A 44 -3.015 -11.798 1.154 1.00 0.00 C ATOM 710 CG LEU A 44 -3.616 -10.447 1.514 1.00 0.00 C ATOM 711 CD1 LEU A 44 -2.664 -9.669 2.394 1.00 0.00 C ATOM 712 CD2 LEU A 44 -3.939 -9.665 0.251 1.00 0.00 C ATOM 0 H LEU A 44 -5.247 -12.446 2.844 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.985 -13.892 1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.930 -11.692 1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.333 -12.053 0.143 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.541 -10.608 2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.106 -8.705 2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.474 -10.230 3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.725 -9.511 1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.368 -8.700 0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.026 -9.508 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.655 -10.225 -0.351 1.00 0.00 H new ATOM 724 N LYS A 45 -3.272 -13.384 4.477 1.00 0.00 N ATOM 725 CA LYS A 45 -2.679 -13.283 5.811 1.00 0.00 C ATOM 726 C LYS A 45 -1.593 -14.339 6.015 1.00 0.00 C ATOM 727 O LYS A 45 -0.952 -14.389 7.061 1.00 0.00 O ATOM 728 CB LYS A 45 -3.746 -13.385 6.907 1.00 0.00 C ATOM 729 CG LYS A 45 -4.557 -14.672 6.878 1.00 0.00 C ATOM 730 CD LYS A 45 -5.865 -14.549 7.655 1.00 0.00 C ATOM 731 CE LYS A 45 -5.650 -14.623 9.161 1.00 0.00 C ATOM 732 NZ LYS A 45 -6.913 -14.404 9.915 1.00 0.00 N ATOM 0 H LYS A 45 -4.155 -13.892 4.436 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.214 -12.300 5.886 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.260 -13.298 7.879 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.427 -12.539 6.814 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.775 -14.939 5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.962 -15.483 7.298 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.347 -13.604 7.405 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.544 -15.344 7.347 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.237 -15.598 9.421 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.915 -13.875 9.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.723 -14.463 10.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.295 -13.464 9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.606 -15.132 9.650 1.00 0.00 H new ATOM 746 N ASN A 46 -1.383 -15.174 5.002 1.00 0.00 N ATOM 747 CA ASN A 46 -0.306 -16.168 5.032 1.00 0.00 C ATOM 748 C ASN A 46 1.040 -15.479 4.828 1.00 0.00 C ATOM 749 O ASN A 46 2.095 -16.045 5.119 1.00 0.00 O ATOM 750 CB ASN A 46 -0.511 -17.237 3.928 1.00 0.00 C ATOM 751 CG ASN A 46 -0.194 -16.711 2.537 1.00 0.00 C ATOM 752 OD1 ASN A 46 0.949 -16.769 2.079 1.00 0.00 O ATOM 753 ND2 ASN A 46 -1.208 -16.209 1.849 1.00 0.00 N ATOM 0 H ASN A 46 -1.942 -15.185 4.149 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.323 -16.662 6.004 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.123 -18.098 4.140 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -1.543 -17.587 3.953 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -1.057 -15.853 0.905 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.140 -16.178 2.263 1.00 0.00 H new ATOM 760 N SER A 47 0.988 -14.253 4.339 1.00 0.00 N ATOM 761 CA SER A 47 2.185 -13.485 4.059 1.00 0.00 C ATOM 762 C SER A 47 2.803 -12.961 5.354 1.00 0.00 C ATOM 763 O SER A 47 2.095 -12.505 6.255 1.00 0.00 O ATOM 764 CB SER A 47 1.830 -12.316 3.136 1.00 0.00 C ATOM 765 OG SER A 47 0.839 -11.503 3.740 1.00 0.00 O ATOM 0 H SER A 47 0.118 -13.765 4.126 1.00 0.00 H new ATOM 0 HA SER A 47 2.915 -14.130 3.569 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.721 -11.723 2.928 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.468 -12.694 2.180 1.00 0.00 H new ATOM 0 HG SER A 47 -0.038 -11.722 3.362 1.00 0.00 H new ATOM 771 N ASN A 48 4.117 -13.052 5.452 1.00 0.00 N ATOM 772 CA ASN A 48 4.845 -12.456 6.566 1.00 0.00 C ATOM 773 C ASN A 48 5.265 -11.050 6.169 1.00 0.00 C ATOM 774 O ASN A 48 5.724 -10.869 5.051 1.00 0.00 O ATOM 775 CB ASN A 48 6.088 -13.284 6.897 1.00 0.00 C ATOM 776 CG ASN A 48 6.188 -13.656 8.366 1.00 0.00 C ATOM 777 OD1 ASN A 48 5.650 -12.971 9.236 1.00 0.00 O ATOM 778 ND2 ASN A 48 6.892 -14.739 8.656 1.00 0.00 N ATOM 0 H ASN A 48 4.707 -13.534 4.773 1.00 0.00 H new ATOM 0 HA ASN A 48 4.203 -12.429 7.447 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.079 -14.195 6.298 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.977 -12.723 6.610 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.003 -15.030 9.627 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.324 -15.282 7.908 1.00 0.00 H new ATOM 785 N PRO A 49 5.110 -10.037 7.039 1.00 0.00 N ATOM 786 CA PRO A 49 5.325 -8.627 6.650 1.00 0.00 C ATOM 787 C PRO A 49 6.654 -8.374 5.937 1.00 0.00 C ATOM 788 O PRO A 49 6.691 -7.677 4.925 1.00 0.00 O ATOM 789 CB PRO A 49 5.269 -7.880 7.985 1.00 0.00 C ATOM 790 CG PRO A 49 4.434 -8.746 8.870 1.00 0.00 C ATOM 791 CD PRO A 49 4.732 -10.165 8.466 1.00 0.00 C ATOM 0 HA PRO A 49 4.580 -8.301 5.924 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.267 -7.735 8.400 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.826 -6.891 7.867 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.677 -8.580 9.920 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.374 -8.520 8.749 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.540 -10.592 9.060 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.864 -10.812 8.597 1.00 0.00 H new ATOM 799 N ASP A 50 7.728 -8.986 6.419 1.00 0.00 N ATOM 800 CA ASP A 50 9.062 -8.711 5.884 1.00 0.00 C ATOM 801 C ASP A 50 9.269 -9.411 4.548 1.00 0.00 C ATOM 802 O ASP A 50 10.174 -9.070 3.786 1.00 0.00 O ATOM 803 CB ASP A 50 10.153 -9.125 6.876 1.00 0.00 C ATOM 804 CG ASP A 50 10.168 -8.254 8.114 1.00 0.00 C ATOM 805 OD1 ASP A 50 10.675 -7.117 8.037 1.00 0.00 O ATOM 806 OD2 ASP A 50 9.679 -8.703 9.174 1.00 0.00 O ATOM 0 H ASP A 50 7.706 -9.672 7.174 1.00 0.00 H new ATOM 0 HA ASP A 50 9.136 -7.635 5.725 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.000 -10.164 7.168 1.00 0.00 H new ATOM 0 HB3 ASP A 50 11.125 -9.072 6.386 1.00 0.00 H new ATOM 811 N GLU A 51 8.410 -10.378 4.275 1.00 0.00 N ATOM 812 CA GLU A 51 8.422 -11.107 3.017 1.00 0.00 C ATOM 813 C GLU A 51 7.072 -10.939 2.336 1.00 0.00 C ATOM 814 O GLU A 51 6.610 -11.818 1.608 1.00 0.00 O ATOM 815 CB GLU A 51 8.725 -12.596 3.232 1.00 0.00 C ATOM 816 CG GLU A 51 10.199 -12.921 3.432 1.00 0.00 C ATOM 817 CD GLU A 51 10.762 -12.410 4.743 1.00 0.00 C ATOM 818 OE1 GLU A 51 11.776 -11.675 4.711 1.00 0.00 O ATOM 819 OE2 GLU A 51 10.205 -12.749 5.809 1.00 0.00 O ATOM 0 H GLU A 51 7.682 -10.681 4.922 1.00 0.00 H new ATOM 0 HA GLU A 51 9.212 -10.701 2.386 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.168 -12.945 4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.356 -13.156 2.373 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.333 -14.002 3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.771 -12.493 2.609 1.00 0.00 H new ATOM 826 N ILE A 52 6.439 -9.804 2.609 1.00 0.00 N ATOM 827 CA ILE A 52 5.081 -9.539 2.160 1.00 0.00 C ATOM 828 C ILE A 52 4.984 -9.545 0.634 1.00 0.00 C ATOM 829 O ILE A 52 5.944 -9.231 -0.074 1.00 0.00 O ATOM 830 CB ILE A 52 4.579 -8.170 2.686 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.086 -7.988 2.413 1.00 0.00 C ATOM 832 CG2 ILE A 52 5.331 -7.069 1.990 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.226 -9.125 2.885 1.00 0.00 C ATOM 0 H ILE A 52 6.854 -9.043 3.147 1.00 0.00 H new ATOM 0 HA ILE A 52 4.456 -10.337 2.561 1.00 0.00 H new ATOM 0 HB ILE A 52 4.747 -8.135 3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.750 -7.070 2.895 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.938 -7.857 1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.983 -6.103 2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.397 -7.171 2.194 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.159 -7.134 0.916 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.183 -8.913 2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.531 -10.044 2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.340 -9.244 3.962 1.00 0.00 H new ATOM 845 N GLU A 53 3.822 -9.926 0.140 1.00 0.00 N ATOM 846 CA GLU A 53 3.530 -9.844 -1.267 1.00 0.00 C ATOM 847 C GLU A 53 2.098 -9.351 -1.444 1.00 0.00 C ATOM 848 O GLU A 53 1.148 -10.124 -1.333 1.00 0.00 O ATOM 849 CB GLU A 53 3.717 -11.215 -1.904 1.00 0.00 C ATOM 850 CG GLU A 53 4.212 -11.155 -3.328 1.00 0.00 C ATOM 851 CD GLU A 53 4.490 -12.527 -3.891 1.00 0.00 C ATOM 852 OE1 GLU A 53 5.354 -13.238 -3.331 1.00 0.00 O ATOM 853 OE2 GLU A 53 3.860 -12.896 -4.901 1.00 0.00 O ATOM 0 H GLU A 53 3.060 -10.299 0.706 1.00 0.00 H new ATOM 0 HA GLU A 53 4.207 -9.144 -1.756 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.423 -11.791 -1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.768 -11.750 -1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.470 -10.653 -3.948 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.121 -10.555 -3.370 1.00 0.00 H new ATOM 860 N ILE A 54 1.952 -8.058 -1.691 1.00 0.00 N ATOM 861 CA ILE A 54 0.639 -7.447 -1.828 1.00 0.00 C ATOM 862 C ILE A 54 0.297 -7.292 -3.298 1.00 0.00 C ATOM 863 O ILE A 54 1.121 -6.842 -4.087 1.00 0.00 O ATOM 864 CB ILE A 54 0.570 -6.049 -1.165 1.00 0.00 C ATOM 865 CG1 ILE A 54 1.027 -6.113 0.293 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.849 -5.496 -1.248 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.215 -4.755 0.932 1.00 0.00 C ATOM 0 H ILE A 54 2.731 -7.409 -1.801 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.072 -8.104 -1.326 1.00 0.00 H new ATOM 0 HB ILE A 54 1.243 -5.382 -1.705 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.294 -6.678 0.870 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.967 -6.663 0.346 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.884 -4.513 -0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.145 -5.410 -2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.533 -6.170 -0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.539 -4.881 1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.970 -4.195 0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.271 -4.210 0.912 1.00 0.00 H new ATOM 879 N ASP A 55 -0.912 -7.663 -3.663 1.00 0.00 N ATOM 880 CA ASP A 55 -1.373 -7.463 -5.026 1.00 0.00 C ATOM 881 C ASP A 55 -2.445 -6.398 -5.044 1.00 0.00 C ATOM 882 O ASP A 55 -3.550 -6.588 -4.516 1.00 0.00 O ATOM 883 CB ASP A 55 -1.901 -8.751 -5.652 1.00 0.00 C ATOM 884 CG ASP A 55 -2.257 -8.555 -7.111 1.00 0.00 C ATOM 885 OD1 ASP A 55 -1.343 -8.556 -7.961 1.00 0.00 O ATOM 886 OD2 ASP A 55 -3.449 -8.389 -7.415 1.00 0.00 O ATOM 0 H ASP A 55 -1.592 -8.102 -3.042 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.519 -7.143 -5.623 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.149 -9.535 -5.562 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.781 -9.089 -5.104 1.00 0.00 H new ATOM 891 N PHE A 56 -2.121 -5.279 -5.661 1.00 0.00 N ATOM 892 CA PHE A 56 -2.999 -4.124 -5.653 1.00 0.00 C ATOM 893 C PHE A 56 -4.285 -4.394 -6.416 1.00 0.00 C ATOM 894 O PHE A 56 -5.243 -3.626 -6.338 1.00 0.00 O ATOM 895 CB PHE A 56 -2.287 -2.905 -6.231 1.00 0.00 C ATOM 896 CG PHE A 56 -2.490 -1.711 -5.366 1.00 0.00 C ATOM 897 CD1 PHE A 56 -1.953 -1.690 -4.107 1.00 0.00 C ATOM 898 CD2 PHE A 56 -3.249 -0.641 -5.779 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.161 -0.634 -3.274 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.456 0.436 -4.941 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.909 0.421 -3.688 1.00 0.00 C ATOM 0 H PHE A 56 -1.252 -5.144 -6.177 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.263 -3.920 -4.615 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.221 -3.113 -6.326 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.663 -2.701 -7.234 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.355 -2.524 -3.770 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.686 -0.644 -6.766 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.731 -0.635 -2.283 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.043 1.280 -5.271 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.073 1.255 -3.022 1.00 0.00 H new ATOM 911 N GLU A 57 -4.309 -5.499 -7.130 1.00 0.00 N ATOM 912 CA GLU A 57 -5.458 -5.862 -7.921 1.00 0.00 C ATOM 913 C GLU A 57 -6.377 -6.805 -7.164 1.00 0.00 C ATOM 914 O GLU A 57 -7.481 -7.109 -7.616 1.00 0.00 O ATOM 915 CB GLU A 57 -4.992 -6.490 -9.224 1.00 0.00 C ATOM 916 CG GLU A 57 -4.254 -5.512 -10.112 1.00 0.00 C ATOM 917 CD GLU A 57 -5.163 -4.438 -10.670 1.00 0.00 C ATOM 918 OE1 GLU A 57 -5.670 -3.609 -9.889 1.00 0.00 O ATOM 919 OE2 GLU A 57 -5.378 -4.414 -11.899 1.00 0.00 O ATOM 0 H GLU A 57 -3.537 -6.164 -7.177 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.032 -4.962 -8.139 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.341 -7.336 -9.003 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.855 -6.884 -9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.450 -5.044 -9.543 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.788 -6.053 -10.935 1.00 0.00 H new ATOM 926 N THR A 58 -5.928 -7.254 -6.006 1.00 0.00 N ATOM 927 CA THR A 58 -6.720 -8.153 -5.191 1.00 0.00 C ATOM 928 C THR A 58 -7.318 -7.415 -4.011 1.00 0.00 C ATOM 929 O THR A 58 -8.247 -7.897 -3.370 1.00 0.00 O ATOM 930 CB THR A 58 -5.875 -9.337 -4.695 1.00 0.00 C ATOM 931 OG1 THR A 58 -4.769 -8.876 -3.907 1.00 0.00 O ATOM 932 CG2 THR A 58 -5.354 -10.124 -5.877 1.00 0.00 C ATOM 0 H THR A 58 -5.020 -7.010 -5.610 1.00 0.00 H new ATOM 0 HA THR A 58 -7.528 -8.541 -5.812 1.00 0.00 H new ATOM 0 HB THR A 58 -6.506 -9.975 -4.076 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.666 -7.908 -4.023 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.755 -10.962 -5.521 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.193 -10.500 -6.462 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.737 -9.477 -6.501 1.00 0.00 H new ATOM 940 N LEU A 59 -6.779 -6.237 -3.737 1.00 0.00 N ATOM 941 CA LEU A 59 -7.271 -5.417 -2.640 1.00 0.00 C ATOM 942 C LEU A 59 -8.609 -4.803 -2.996 1.00 0.00 C ATOM 943 O LEU A 59 -8.818 -4.359 -4.128 1.00 0.00 O ATOM 944 CB LEU A 59 -6.285 -4.300 -2.317 1.00 0.00 C ATOM 945 CG LEU A 59 -4.822 -4.724 -2.280 1.00 0.00 C ATOM 946 CD1 LEU A 59 -3.930 -3.534 -1.986 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.618 -5.802 -1.240 1.00 0.00 C ATOM 0 H LEU A 59 -6.003 -5.828 -4.257 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.385 -6.062 -1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.400 -3.509 -3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.548 -3.872 -1.350 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.552 -5.123 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.889 -3.856 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.060 -2.781 -2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.199 -3.108 -1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.569 -6.097 -1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.904 -5.421 -0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.234 -6.667 -1.487 1.00 0.00 H new ATOM 959 N LYS A 60 -9.511 -4.783 -2.035 1.00 0.00 N ATOM 960 CA LYS A 60 -10.804 -4.161 -2.219 1.00 0.00 C ATOM 961 C LYS A 60 -10.662 -2.635 -2.101 1.00 0.00 C ATOM 962 O LYS A 60 -9.801 -2.158 -1.353 1.00 0.00 O ATOM 963 CB LYS A 60 -11.787 -4.731 -1.187 1.00 0.00 C ATOM 964 CG LYS A 60 -11.631 -4.182 0.219 1.00 0.00 C ATOM 965 CD LYS A 60 -12.657 -4.798 1.163 1.00 0.00 C ATOM 966 CE LYS A 60 -12.174 -6.104 1.789 1.00 0.00 C ATOM 967 NZ LYS A 60 -11.492 -7.004 0.816 1.00 0.00 N ATOM 0 H LYS A 60 -9.369 -5.194 -1.112 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.196 -4.378 -3.213 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.803 -4.533 -1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.668 -5.814 -1.153 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.625 -4.389 0.584 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.749 -3.098 0.205 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.890 -4.085 1.954 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.582 -4.982 0.617 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.489 -5.876 2.606 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.025 -6.628 2.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.188 -7.872 1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.150 -7.248 0.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.661 -6.520 0.419 1.00 0.00 H new ATOM 981 N PRO A 61 -11.459 -1.857 -2.880 1.00 0.00 N ATOM 982 CA PRO A 61 -11.417 -0.386 -2.903 1.00 0.00 C ATOM 983 C PRO A 61 -11.076 0.268 -1.564 1.00 0.00 C ATOM 984 O PRO A 61 -10.204 1.137 -1.499 1.00 0.00 O ATOM 985 CB PRO A 61 -12.840 -0.023 -3.301 1.00 0.00 C ATOM 986 CG PRO A 61 -13.305 -1.141 -4.168 1.00 0.00 C ATOM 987 CD PRO A 61 -12.457 -2.353 -3.849 1.00 0.00 C ATOM 0 HA PRO A 61 -10.631 -0.033 -3.571 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.478 0.085 -2.424 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.869 0.927 -3.835 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.359 -1.353 -3.987 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.210 -0.874 -5.220 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.057 -3.158 -3.425 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -11.979 -2.750 -4.744 1.00 0.00 H new ATOM 995 N SER A 62 -11.758 -0.155 -0.506 1.00 0.00 N ATOM 996 CA SER A 62 -11.588 0.453 0.809 1.00 0.00 C ATOM 997 C SER A 62 -10.150 0.347 1.303 1.00 0.00 C ATOM 998 O SER A 62 -9.594 1.322 1.802 1.00 0.00 O ATOM 999 CB SER A 62 -12.558 -0.173 1.815 1.00 0.00 C ATOM 1000 OG SER A 62 -12.595 -1.582 1.677 1.00 0.00 O ATOM 0 H SER A 62 -12.435 -0.918 -0.533 1.00 0.00 H new ATOM 0 HA SER A 62 -11.817 1.514 0.715 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.255 0.089 2.829 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.557 0.237 1.665 1.00 0.00 H new ATOM 0 HG SER A 62 -13.220 -1.958 2.331 1.00 0.00 H new ATOM 1006 N THR A 63 -9.542 -0.821 1.132 1.00 0.00 N ATOM 1007 CA THR A 63 -8.164 -1.031 1.560 1.00 0.00 C ATOM 1008 C THR A 63 -7.253 -0.073 0.817 1.00 0.00 C ATOM 1009 O THR A 63 -6.500 0.670 1.429 1.00 0.00 O ATOM 1010 CB THR A 63 -7.706 -2.483 1.305 1.00 0.00 C ATOM 1011 OG1 THR A 63 -8.770 -3.385 1.640 1.00 0.00 O ATOM 1012 CG2 THR A 63 -6.479 -2.820 2.133 1.00 0.00 C ATOM 0 H THR A 63 -9.980 -1.635 0.701 1.00 0.00 H new ATOM 0 HA THR A 63 -8.110 -0.845 2.633 1.00 0.00 H new ATOM 0 HB THR A 63 -7.449 -2.583 0.251 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.591 -4.263 1.244 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.177 -3.848 1.934 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.665 -2.145 1.868 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.713 -2.708 3.192 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.393 -0.053 -0.504 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.561 0.777 -1.372 1.00 0.00 C ATOM 1022 C LEU A 64 -6.652 2.246 -0.988 1.00 0.00 C ATOM 1023 O LEU A 64 -5.654 2.968 -1.003 1.00 0.00 O ATOM 1024 CB LEU A 64 -6.999 0.582 -2.826 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.090 -0.871 -3.262 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -8.285 -1.053 -4.145 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.847 -1.286 -4.004 1.00 0.00 C ATOM 0 H LEU A 64 -8.085 -0.611 -1.004 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.522 0.470 -1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.972 1.053 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.296 1.101 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.187 -1.495 -2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.351 -2.095 -4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.187 -0.781 -3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.188 -0.416 -5.024 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.935 -2.330 -4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.726 -0.661 -4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.979 -1.168 -3.355 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.845 2.684 -0.626 1.00 0.00 N ATOM 1040 CA ARG A 65 -8.048 4.070 -0.238 1.00 0.00 C ATOM 1041 C ARG A 65 -7.534 4.325 1.181 1.00 0.00 C ATOM 1042 O ARG A 65 -7.169 5.454 1.518 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.522 4.458 -0.355 1.00 0.00 C ATOM 1044 CG ARG A 65 -10.072 4.384 -1.777 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.261 5.233 -2.750 1.00 0.00 C ATOM 1046 NE ARG A 65 -9.969 5.438 -4.018 1.00 0.00 N ATOM 1047 CZ ARG A 65 -9.653 6.380 -4.914 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -8.742 7.305 -4.628 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -10.269 6.416 -6.090 1.00 0.00 N ATOM 0 H ARG A 65 -8.684 2.105 -0.592 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.475 4.695 -0.922 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.112 3.803 0.286 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.651 5.473 0.021 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.070 3.347 -2.113 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.109 4.719 -1.782 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.044 6.199 -2.295 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.303 4.749 -2.943 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.754 4.822 -4.231 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.278 7.300 -3.720 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.507 8.020 -5.317 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.985 5.724 -6.312 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.026 7.135 -6.771 1.00 0.00 H new ATOM 1063 N GLU A 66 -7.482 3.281 2.008 1.00 0.00 N ATOM 1064 CA GLU A 66 -6.941 3.406 3.353 1.00 0.00 C ATOM 1065 C GLU A 66 -5.426 3.485 3.280 1.00 0.00 C ATOM 1066 O GLU A 66 -4.793 4.291 3.968 1.00 0.00 O ATOM 1067 CB GLU A 66 -7.347 2.201 4.197 1.00 0.00 C ATOM 1068 CG GLU A 66 -8.816 2.167 4.582 1.00 0.00 C ATOM 1069 CD GLU A 66 -9.243 3.378 5.376 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -8.919 3.449 6.579 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -9.906 4.266 4.809 1.00 0.00 O ATOM 0 H GLU A 66 -7.807 2.345 1.768 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.336 4.311 3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.108 1.291 3.647 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.746 2.191 5.106 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.422 2.099 3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.013 1.268 5.166 1.00 0.00 H new ATOM 1078 N LEU A 67 -4.862 2.626 2.435 1.00 0.00 N ATOM 1079 CA LEU A 67 -3.432 2.603 2.171 1.00 0.00 C ATOM 1080 C LEU A 67 -2.954 3.994 1.755 1.00 0.00 C ATOM 1081 O LEU A 67 -1.904 4.475 2.181 1.00 0.00 O ATOM 1082 CB LEU A 67 -3.147 1.621 1.035 1.00 0.00 C ATOM 1083 CG LEU A 67 -3.788 0.260 1.197 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.403 -0.656 0.057 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -3.416 -0.340 2.536 1.00 0.00 C ATOM 0 H LEU A 67 -5.389 1.925 1.914 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.907 2.296 3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.492 2.060 0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.068 1.491 0.948 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.871 0.380 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.876 -1.628 0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.735 -0.222 -0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.320 -0.779 0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.884 -1.319 2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.333 -0.447 2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.762 0.314 3.336 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.767 4.625 0.915 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.454 5.908 0.305 1.00 0.00 C ATOM 1099 C GLU A 68 -3.405 7.046 1.312 1.00 0.00 C ATOM 1100 O GLU A 68 -2.356 7.665 1.504 1.00 0.00 O ATOM 1101 CB GLU A 68 -4.498 6.213 -0.758 1.00 0.00 C ATOM 1102 CG GLU A 68 -4.280 7.520 -1.474 1.00 0.00 C ATOM 1103 CD GLU A 68 -5.161 8.639 -0.956 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -6.395 8.552 -1.131 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -4.627 9.612 -0.388 1.00 0.00 O ATOM 0 H GLU A 68 -4.675 4.253 0.636 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.459 5.831 -0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.502 5.406 -1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.483 6.226 -0.292 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.235 7.813 -1.372 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.470 7.380 -2.538 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.551 7.332 1.927 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.654 8.379 2.946 1.00 0.00 C ATOM 1114 C ARG A 69 -3.581 8.196 3.996 1.00 0.00 C ATOM 1115 O ARG A 69 -3.126 9.151 4.625 1.00 0.00 O ATOM 1116 CB ARG A 69 -6.026 8.319 3.600 1.00 0.00 C ATOM 1117 CG ARG A 69 -6.226 9.383 4.653 1.00 0.00 C ATOM 1118 CD ARG A 69 -7.253 8.957 5.682 1.00 0.00 C ATOM 1119 NE ARG A 69 -6.888 7.704 6.342 1.00 0.00 N ATOM 1120 CZ ARG A 69 -7.610 6.586 6.261 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -8.703 6.549 5.507 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -7.237 5.501 6.928 1.00 0.00 N ATOM 0 H ARG A 69 -5.429 6.850 1.736 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.518 9.350 2.470 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.793 8.426 2.833 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.164 7.337 4.053 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.277 9.590 5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.547 10.310 4.179 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.361 9.742 6.431 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.223 8.842 5.198 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.032 7.684 6.896 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.992 7.378 4.987 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.253 5.692 5.448 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.396 5.521 7.505 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.791 4.647 6.864 1.00 0.00 H new ATOM 1136 N TYR A 70 -3.161 6.963 4.153 1.00 0.00 N ATOM 1137 CA TYR A 70 -2.118 6.643 5.096 1.00 0.00 C ATOM 1138 C TYR A 70 -0.754 7.139 4.604 1.00 0.00 C ATOM 1139 O TYR A 70 -0.102 7.937 5.270 1.00 0.00 O ATOM 1140 CB TYR A 70 -2.063 5.139 5.347 1.00 0.00 C ATOM 1141 CG TYR A 70 -0.734 4.717 5.857 1.00 0.00 C ATOM 1142 CD1 TYR A 70 0.058 3.892 5.101 1.00 0.00 C ATOM 1143 CD2 TYR A 70 -0.246 5.200 7.063 1.00 0.00 C ATOM 1144 CE1 TYR A 70 1.302 3.547 5.520 1.00 0.00 C ATOM 1145 CE2 TYR A 70 1.006 4.852 7.503 1.00 0.00 C ATOM 1146 CZ TYR A 70 1.782 4.027 6.728 1.00 0.00 C ATOM 1147 OH TYR A 70 3.039 3.692 7.159 1.00 0.00 O ATOM 0 H TYR A 70 -3.528 6.163 3.637 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.352 7.151 6.032 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.834 4.861 6.066 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.284 4.607 4.422 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.313 3.512 4.160 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.859 5.857 7.662 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.917 2.899 4.913 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.376 5.223 8.447 1.00 0.00 H new ATOM 0 HH TYR A 70 3.411 2.998 6.576 1.00 0.00 H new ATOM 1157 N VAL A 71 -0.313 6.660 3.449 1.00 0.00 N ATOM 1158 CA VAL A 71 1.015 7.008 2.952 1.00 0.00 C ATOM 1159 C VAL A 71 1.101 8.473 2.626 1.00 0.00 C ATOM 1160 O VAL A 71 2.108 9.116 2.881 1.00 0.00 O ATOM 1161 CB VAL A 71 1.406 6.199 1.715 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.400 4.736 2.050 1.00 0.00 C ATOM 1163 CG2 VAL A 71 0.463 6.460 0.555 1.00 0.00 C ATOM 0 H VAL A 71 -0.846 6.036 2.843 1.00 0.00 H new ATOM 0 HA VAL A 71 1.713 6.766 3.754 1.00 0.00 H new ATOM 0 HB VAL A 71 2.406 6.509 1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.679 4.160 1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.114 4.543 2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.402 4.441 2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.773 5.868 -0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.551 6.182 0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.489 7.518 0.296 1.00 0.00 H new ATOM 1173 N THR A 72 0.026 8.999 2.086 1.00 0.00 N ATOM 1174 CA THR A 72 -0.054 10.398 1.784 1.00 0.00 C ATOM 1175 C THR A 72 0.071 11.216 3.077 1.00 0.00 C ATOM 1176 O THR A 72 0.535 12.350 3.060 1.00 0.00 O ATOM 1177 CB THR A 72 -1.366 10.694 1.026 1.00 0.00 C ATOM 1178 OG1 THR A 72 -1.093 10.893 -0.367 1.00 0.00 O ATOM 1179 CG2 THR A 72 -2.095 11.900 1.589 1.00 0.00 C ATOM 0 H THR A 72 -0.811 8.467 1.847 1.00 0.00 H new ATOM 0 HA THR A 72 0.771 10.689 1.134 1.00 0.00 H new ATOM 0 HB THR A 72 -2.018 9.830 1.154 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.930 11.079 -0.841 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.011 12.068 1.023 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.342 11.720 2.635 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.456 12.780 1.514 1.00 0.00 H new ATOM 1187 N SER A 73 -0.298 10.617 4.206 1.00 0.00 N ATOM 1188 CA SER A 73 -0.147 11.279 5.489 1.00 0.00 C ATOM 1189 C SER A 73 1.324 11.258 5.917 1.00 0.00 C ATOM 1190 O SER A 73 1.806 12.171 6.583 1.00 0.00 O ATOM 1191 CB SER A 73 -1.038 10.616 6.546 1.00 0.00 C ATOM 1192 OG SER A 73 -0.367 9.570 7.233 1.00 0.00 O ATOM 0 H SER A 73 -0.700 9.681 4.254 1.00 0.00 H new ATOM 0 HA SER A 73 -0.463 12.317 5.391 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.368 11.367 7.264 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.933 10.218 6.067 1.00 0.00 H new ATOM 0 HG SER A 73 -0.014 8.926 6.584 1.00 0.00 H new ATOM 1198 N CYS A 74 2.036 10.214 5.499 1.00 0.00 N ATOM 1199 CA CYS A 74 3.444 10.050 5.836 1.00 0.00 C ATOM 1200 C CYS A 74 4.328 10.880 4.911 1.00 0.00 C ATOM 1201 O CYS A 74 5.277 11.529 5.351 1.00 0.00 O ATOM 1202 CB CYS A 74 3.823 8.568 5.751 1.00 0.00 C ATOM 1203 SG CYS A 74 5.538 8.201 6.195 1.00 0.00 S ATOM 0 H CYS A 74 1.655 9.464 4.922 1.00 0.00 H new ATOM 0 HA CYS A 74 3.603 10.404 6.855 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.163 8.000 6.406 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.642 8.218 4.735 1.00 0.00 H new ATOM 0 HG CYS A 74 6.255 9.280 6.086 1.00 0.00 H new ATOM 1209 N LEU A 75 3.999 10.849 3.633 1.00 0.00 N ATOM 1210 CA LEU A 75 4.788 11.523 2.604 1.00 0.00 C ATOM 1211 C LEU A 75 4.539 13.031 2.574 1.00 0.00 C ATOM 1212 O LEU A 75 5.470 13.803 2.372 1.00 0.00 O ATOM 1213 CB LEU A 75 4.470 10.913 1.237 1.00 0.00 C ATOM 1214 CG LEU A 75 4.510 9.392 1.212 1.00 0.00 C ATOM 1215 CD1 LEU A 75 3.946 8.864 -0.103 1.00 0.00 C ATOM 1216 CD2 LEU A 75 5.920 8.878 1.441 1.00 0.00 C ATOM 0 H LEU A 75 3.180 10.358 3.274 1.00 0.00 H new ATOM 0 HA LEU A 75 5.841 11.377 2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.480 11.245 0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.181 11.297 0.505 1.00 0.00 H new ATOM 0 HG LEU A 75 3.886 9.023 2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.982 7.775 -0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.913 9.192 -0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.539 9.247 -0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.918 7.788 1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.577 9.256 0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.279 9.220 2.412 1.00 0.00 H new ATOM 1228 N ARG A 76 3.291 13.457 2.759 1.00 0.00 N ATOM 1229 CA ARG A 76 2.974 14.879 2.699 1.00 0.00 C ATOM 1230 C ARG A 76 3.474 15.629 3.933 1.00 0.00 C ATOM 1231 O ARG A 76 3.622 16.851 3.906 1.00 0.00 O ATOM 1232 CB ARG A 76 1.478 15.126 2.515 1.00 0.00 C ATOM 1233 CG ARG A 76 0.925 14.630 1.190 1.00 0.00 C ATOM 1234 CD ARG A 76 -0.423 15.254 0.901 1.00 0.00 C ATOM 1235 NE ARG A 76 -0.353 16.714 0.862 1.00 0.00 N ATOM 1236 CZ ARG A 76 -1.264 17.493 0.282 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -2.281 16.955 -0.379 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -1.148 18.813 0.351 1.00 0.00 N ATOM 0 H ARG A 76 2.495 12.848 2.949 1.00 0.00 H new ATOM 0 HA ARG A 76 3.496 15.267 1.824 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.938 14.639 3.327 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.284 16.195 2.600 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.622 14.871 0.387 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.830 13.544 1.214 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.797 14.883 -0.053 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.137 14.945 1.665 1.00 0.00 H new ATOM 0 HE ARG A 76 0.446 17.165 1.308 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.367 15.941 -0.444 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.976 17.556 -0.822 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.361 19.231 0.848 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.846 19.410 -0.093 1.00 0.00 H new ATOM 1252 N LYS A 77 3.730 14.904 5.013 1.00 0.00 N ATOM 1253 CA LYS A 77 4.242 15.521 6.227 1.00 0.00 C ATOM 1254 C LYS A 77 5.756 15.372 6.310 1.00 0.00 C ATOM 1255 O LYS A 77 6.279 14.257 6.240 1.00 0.00 O ATOM 1256 CB LYS A 77 3.573 14.932 7.466 1.00 0.00 C ATOM 1257 CG LYS A 77 2.165 15.465 7.685 1.00 0.00 C ATOM 1258 CD LYS A 77 1.409 14.700 8.770 1.00 0.00 C ATOM 1259 CE LYS A 77 2.057 14.845 10.143 1.00 0.00 C ATOM 1260 NZ LYS A 77 2.149 16.266 10.579 1.00 0.00 N ATOM 0 H LYS A 77 3.593 13.895 5.073 1.00 0.00 H new ATOM 0 HA LYS A 77 4.004 16.584 6.190 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.535 13.847 7.372 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.181 15.155 8.343 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.218 16.519 7.959 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.609 15.406 6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.382 15.061 8.816 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.364 13.644 8.502 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.481 14.279 10.875 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.056 14.410 10.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.436 16.305 11.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.853 16.763 9.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.222 16.724 10.468 1.00 0.00 H new ATOM 1274 N LYS A 78 6.434 16.505 6.502 1.00 0.00 N ATOM 1275 CA LYS A 78 7.875 16.606 6.474 1.00 0.00 C ATOM 1276 C LYS A 78 8.460 16.147 5.137 1.00 0.00 C ATOM 1277 O LYS A 78 8.848 16.978 4.315 1.00 0.00 O ATOM 1278 CB LYS A 78 8.456 15.822 7.629 1.00 0.00 C ATOM 1279 CG LYS A 78 9.937 16.064 7.826 1.00 0.00 C ATOM 1280 CD LYS A 78 10.211 17.409 8.487 1.00 0.00 C ATOM 1281 CE LYS A 78 9.835 17.404 9.961 1.00 0.00 C ATOM 1282 NZ LYS A 78 10.705 16.493 10.754 1.00 0.00 N ATOM 0 H LYS A 78 5.973 17.396 6.686 1.00 0.00 H new ATOM 0 HA LYS A 78 8.148 17.656 6.581 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.926 16.087 8.544 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.287 14.759 7.460 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.357 15.266 8.439 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.443 16.024 6.861 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.267 17.656 8.383 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.649 18.188 7.972 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.912 18.416 10.358 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.795 17.097 10.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.607 16.713 11.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.421 15.507 10.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.696 16.622 10.466 1.00 0.00 H new ATOM 1296 N ARG A 79 8.489 14.832 4.928 1.00 0.00 N ATOM 1297 CA ARG A 79 9.049 14.228 3.723 1.00 0.00 C ATOM 1298 C ARG A 79 10.540 14.518 3.605 1.00 0.00 C ATOM 1299 O ARG A 79 10.946 15.610 3.199 1.00 0.00 O ATOM 1300 CB ARG A 79 8.306 14.709 2.476 1.00 0.00 C ATOM 1301 CG ARG A 79 8.768 14.049 1.183 1.00 0.00 C ATOM 1302 CD ARG A 79 8.669 12.530 1.259 1.00 0.00 C ATOM 1303 NE ARG A 79 9.158 11.889 0.040 1.00 0.00 N ATOM 1304 CZ ARG A 79 9.865 10.759 0.018 1.00 0.00 C ATOM 1305 NH1 ARG A 79 10.190 10.146 1.149 1.00 0.00 N ATOM 1306 NH2 ARG A 79 10.256 10.246 -1.142 1.00 0.00 N ATOM 0 H ARG A 79 8.122 14.153 5.595 1.00 0.00 H new ATOM 0 HA ARG A 79 8.921 13.148 3.802 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.240 14.521 2.606 1.00 0.00 H new ATOM 0 HB3 ARG A 79 8.431 15.788 2.385 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.163 14.412 0.353 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.799 14.337 0.976 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.244 12.171 2.113 1.00 0.00 H new ATOM 0 HD3 ARG A 79 7.632 12.242 1.429 1.00 0.00 H new ATOM 0 HE ARG A 79 8.944 12.335 -0.852 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.899 10.539 2.044 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.731 9.282 1.123 1.00 0.00 H new ATOM 0 HH21 ARG A 79 10.015 10.716 -2.015 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.797 9.382 -1.161 1.00 0.00 H new ATOM 1320 N LYS A 80 11.355 13.542 3.972 1.00 0.00 N ATOM 1321 CA LYS A 80 12.798 13.681 3.869 1.00 0.00 C ATOM 1322 C LYS A 80 13.363 12.720 2.821 1.00 0.00 C ATOM 1323 O LYS A 80 13.798 11.611 3.141 1.00 0.00 O ATOM 1324 CB LYS A 80 13.454 13.452 5.236 1.00 0.00 C ATOM 1325 CG LYS A 80 13.006 12.178 5.937 1.00 0.00 C ATOM 1326 CD LYS A 80 13.739 11.989 7.252 1.00 0.00 C ATOM 1327 CE LYS A 80 13.402 10.652 7.891 1.00 0.00 C ATOM 1328 NZ LYS A 80 14.176 10.424 9.139 1.00 0.00 N ATOM 0 H LYS A 80 11.042 12.645 4.344 1.00 0.00 H new ATOM 0 HA LYS A 80 13.026 14.697 3.546 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.536 13.421 5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.234 14.304 5.879 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.932 12.218 6.119 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.188 11.320 5.290 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.814 12.052 7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.476 12.796 7.935 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.336 10.614 8.113 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.609 9.849 7.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.918 9.502 9.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.193 10.435 8.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.960 11.176 9.824 1.00 0.00 H new ATOM 1342 N PRO A 81 13.361 13.135 1.540 1.00 0.00 N ATOM 1343 CA PRO A 81 13.895 12.331 0.438 1.00 0.00 C ATOM 1344 C PRO A 81 15.424 12.352 0.412 1.00 0.00 C ATOM 1345 O PRO A 81 16.045 12.687 -0.599 1.00 0.00 O ATOM 1346 CB PRO A 81 13.328 13.005 -0.825 1.00 0.00 C ATOM 1347 CG PRO A 81 12.412 14.086 -0.346 1.00 0.00 C ATOM 1348 CD PRO A 81 12.836 14.415 1.056 1.00 0.00 C ATOM 0 HA PRO A 81 13.615 11.281 0.527 1.00 0.00 H new ATOM 0 HB2 PRO A 81 14.129 13.417 -1.439 1.00 0.00 H new ATOM 0 HB3 PRO A 81 12.791 12.285 -1.443 1.00 0.00 H new ATOM 0 HG2 PRO A 81 12.480 14.964 -0.988 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.374 13.754 -0.369 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.594 15.198 1.077 1.00 0.00 H new ATOM 0 HD3 PRO A 81 11.999 14.765 1.661 1.00 0.00 H new ATOM 1356 N GLN A 82 16.021 11.995 1.538 1.00 0.00 N ATOM 1357 CA GLN A 82 17.467 12.012 1.683 1.00 0.00 C ATOM 1358 C GLN A 82 18.037 10.608 1.540 1.00 0.00 C ATOM 1359 O GLN A 82 19.196 10.362 1.868 1.00 0.00 O ATOM 1360 CB GLN A 82 17.852 12.608 3.037 1.00 0.00 C ATOM 1361 CG GLN A 82 17.442 14.062 3.190 1.00 0.00 C ATOM 1362 CD GLN A 82 17.791 14.630 4.549 1.00 0.00 C ATOM 1363 OE1 GLN A 82 17.790 13.918 5.554 1.00 0.00 O ATOM 1364 NE2 GLN A 82 18.105 15.913 4.590 1.00 0.00 N ATOM 0 H GLN A 82 15.520 11.687 2.372 1.00 0.00 H new ATOM 0 HA GLN A 82 17.888 12.634 0.893 1.00 0.00 H new ATOM 0 HB2 GLN A 82 17.388 12.021 3.830 1.00 0.00 H new ATOM 0 HB3 GLN A 82 18.931 12.526 3.169 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.930 14.656 2.417 1.00 0.00 H new ATOM 0 HG3 GLN A 82 16.368 14.151 3.029 1.00 0.00 H new ATOM 0 HE21 GLN A 82 18.094 16.468 3.735 1.00 0.00 H new ATOM 0 HE22 GLN A 82 18.359 16.348 5.477 1.00 0.00 H new ATOM 1373 N ALA A 83 17.214 9.697 1.047 1.00 0.00 N ATOM 1374 CA ALA A 83 17.633 8.324 0.838 1.00 0.00 C ATOM 1375 C ALA A 83 17.925 8.085 -0.637 1.00 0.00 C ATOM 1376 O ALA A 83 19.116 8.018 -1.004 1.00 0.00 O ATOM 1377 CB ALA A 83 16.571 7.360 1.344 1.00 0.00 C ATOM 1378 OXT ALA A 83 16.958 7.998 -1.431 1.00 0.00 O ATOM 0 H ALA A 83 16.247 9.887 0.783 1.00 0.00 H new ATOM 0 HA ALA A 83 18.547 8.145 1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.902 6.335 1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 83 16.410 7.522 2.410 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.638 7.531 0.806 1.00 0.00 H new TER 1384 ALA A 83 ATOM 1385 N LYS B 201 0.175 -7.638 -9.963 1.00 0.00 N ATOM 1386 CA LYS B 201 0.476 -6.191 -9.863 1.00 0.00 C ATOM 1387 C LYS B 201 1.175 -5.881 -8.552 1.00 0.00 C ATOM 1388 O LYS B 201 0.612 -6.122 -7.484 1.00 0.00 O ATOM 1389 CB LYS B 201 -0.817 -5.370 -9.957 1.00 0.00 C ATOM 1390 CG LYS B 201 -0.645 -3.886 -9.642 1.00 0.00 C ATOM 1391 CD LYS B 201 0.229 -3.181 -10.668 1.00 0.00 C ATOM 1392 CE LYS B 201 0.442 -1.715 -10.313 1.00 0.00 C ATOM 1393 NZ LYS B 201 1.228 -1.545 -9.059 1.00 0.00 N ATOM 0 HA LYS B 201 1.134 -5.924 -10.690 1.00 0.00 H new ATOM 0 HB2 LYS B 201 -1.225 -5.471 -10.963 1.00 0.00 H new ATOM 0 HB3 LYS B 201 -1.552 -5.792 -9.271 1.00 0.00 H new ATOM 0 HG2 LYS B 201 -1.624 -3.407 -9.610 1.00 0.00 H new ATOM 0 HG3 LYS B 201 -0.203 -3.775 -8.652 1.00 0.00 H new ATOM 0 HD2 LYS B 201 1.194 -3.684 -10.732 1.00 0.00 H new ATOM 0 HD3 LYS B 201 -0.234 -3.254 -11.652 1.00 0.00 H new ATOM 0 HE2 LYS B 201 0.958 -1.216 -11.133 1.00 0.00 H new ATOM 0 HE3 LYS B 201 -0.526 -1.226 -10.202 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 1.521 -0.552 -8.965 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 0.641 -1.812 -8.243 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 2.071 -2.153 -9.093 1.00 0.00 H new ATOM 1409 N TRP B 202 2.400 -5.349 -8.639 1.00 0.00 N ATOM 1410 CA TRP B 202 3.124 -4.886 -7.457 1.00 0.00 C ATOM 1411 C TRP B 202 3.494 -6.077 -6.568 1.00 0.00 C ATOM 1412 O TRP B 202 3.509 -5.994 -5.344 1.00 0.00 O ATOM 1413 CB TRP B 202 2.246 -3.859 -6.729 1.00 0.00 C ATOM 1414 CG TRP B 202 2.850 -3.209 -5.528 1.00 0.00 C ATOM 1415 CD1 TRP B 202 4.111 -2.705 -5.389 1.00 0.00 C ATOM 1416 CD2 TRP B 202 2.175 -2.959 -4.298 1.00 0.00 C ATOM 1417 NE1 TRP B 202 4.260 -2.159 -4.135 1.00 0.00 N ATOM 1418 CE2 TRP B 202 3.082 -2.305 -3.446 1.00 0.00 C ATOM 1419 CE3 TRP B 202 0.886 -3.232 -3.838 1.00 0.00 C ATOM 1420 CZ2 TRP B 202 2.736 -1.912 -2.155 1.00 0.00 C ATOM 1421 CZ3 TRP B 202 0.547 -2.841 -2.557 1.00 0.00 C ATOM 1422 CH2 TRP B 202 1.466 -2.188 -1.729 1.00 0.00 C ATOM 0 H TRP B 202 2.907 -5.230 -9.516 1.00 0.00 H new ATOM 0 HA TRP B 202 4.061 -4.404 -7.736 1.00 0.00 H new ATOM 0 HB2 TRP B 202 1.971 -3.079 -7.439 1.00 0.00 H new ATOM 0 HB3 TRP B 202 1.323 -4.352 -6.424 1.00 0.00 H new ATOM 0 HD1 TRP B 202 4.877 -2.731 -6.150 1.00 0.00 H new ATOM 0 HE1 TRP B 202 5.107 -1.718 -3.776 1.00 0.00 H new ATOM 0 HE3 TRP B 202 0.170 -3.737 -4.469 1.00 0.00 H new ATOM 0 HZ2 TRP B 202 3.444 -1.408 -1.514 1.00 0.00 H new ATOM 0 HZ3 TRP B 202 -0.447 -3.044 -2.188 1.00 0.00 H new ATOM 0 HH2 TRP B 202 1.167 -1.896 -0.733 1.00 0.00 H new ATOM 1433 N THR B 203 3.817 -7.183 -7.220 1.00 0.00 N ATOM 1434 CA THR B 203 4.126 -8.423 -6.532 1.00 0.00 C ATOM 1435 C THR B 203 5.528 -8.405 -5.918 1.00 0.00 C ATOM 1436 O THR B 203 6.160 -7.348 -5.815 1.00 0.00 O ATOM 1437 CB THR B 203 3.984 -9.624 -7.484 1.00 0.00 C ATOM 1438 OG1 THR B 203 4.638 -9.341 -8.729 1.00 0.00 O ATOM 1439 CG2 THR B 203 2.520 -9.945 -7.728 1.00 0.00 C ATOM 0 H THR B 203 3.872 -7.245 -8.237 1.00 0.00 H new ATOM 0 HA THR B 203 3.407 -8.524 -5.719 1.00 0.00 H new ATOM 0 HB THR B 203 4.455 -10.491 -7.020 1.00 0.00 H new ATOM 0 HG1 THR B 203 4.545 -10.110 -9.329 1.00 0.00 H new ATOM 0 HG21 THR B 203 2.442 -10.797 -8.403 1.00 0.00 H new ATOM 0 HG22 THR B 203 2.038 -10.187 -6.781 1.00 0.00 H new ATOM 0 HG23 THR B 203 2.028 -9.081 -8.175 1.00 0.00 H new ATOM 1447 N LEU B 204 5.981 -9.595 -5.509 1.00 0.00 N ATOM 1448 CA LEU B 204 7.239 -9.799 -4.783 1.00 0.00 C ATOM 1449 C LEU B 204 8.369 -8.873 -5.223 1.00 0.00 C ATOM 1450 O LEU B 204 9.047 -8.302 -4.377 1.00 0.00 O ATOM 1451 CB LEU B 204 7.707 -11.261 -4.906 1.00 0.00 C ATOM 1452 CG LEU B 204 8.060 -11.752 -6.321 1.00 0.00 C ATOM 1453 CD1 LEU B 204 8.871 -13.034 -6.250 1.00 0.00 C ATOM 1454 CD2 LEU B 204 6.808 -11.984 -7.152 1.00 0.00 C ATOM 0 H LEU B 204 5.472 -10.463 -5.677 1.00 0.00 H new ATOM 0 HA LEU B 204 7.014 -9.554 -3.745 1.00 0.00 H new ATOM 0 HB2 LEU B 204 8.583 -11.394 -4.271 1.00 0.00 H new ATOM 0 HB3 LEU B 204 6.923 -11.905 -4.507 1.00 0.00 H new ATOM 0 HG LEU B 204 8.655 -10.975 -6.802 1.00 0.00 H new ATOM 0 HD11 LEU B 204 9.113 -13.368 -7.259 1.00 0.00 H new ATOM 0 HD12 LEU B 204 9.793 -12.851 -5.698 1.00 0.00 H new ATOM 0 HD13 LEU B 204 8.290 -13.804 -5.742 1.00 0.00 H new ATOM 0 HD21 LEU B 204 7.090 -12.330 -8.146 1.00 0.00 H new ATOM 0 HD22 LEU B 204 6.185 -12.737 -6.669 1.00 0.00 H new ATOM 0 HD23 LEU B 204 6.250 -11.052 -7.237 1.00 0.00 H new ATOM 1466 N GLU B 205 8.565 -8.717 -6.529 1.00 0.00 N ATOM 1467 CA GLU B 205 9.698 -7.957 -7.039 1.00 0.00 C ATOM 1468 C GLU B 205 9.746 -6.547 -6.442 1.00 0.00 C ATOM 1469 O GLU B 205 10.572 -6.261 -5.566 1.00 0.00 O ATOM 1470 CB GLU B 205 9.655 -7.888 -8.568 1.00 0.00 C ATOM 1471 CG GLU B 205 10.871 -7.207 -9.176 1.00 0.00 C ATOM 1472 CD GLU B 205 12.173 -7.878 -8.783 1.00 0.00 C ATOM 1473 OE1 GLU B 205 12.636 -7.673 -7.640 1.00 0.00 O ATOM 1474 OE2 GLU B 205 12.745 -8.612 -9.617 1.00 0.00 O ATOM 0 H GLU B 205 7.956 -9.105 -7.249 1.00 0.00 H new ATOM 0 HA GLU B 205 10.606 -8.477 -6.736 1.00 0.00 H new ATOM 0 HB2 GLU B 205 9.576 -8.899 -8.968 1.00 0.00 H new ATOM 0 HB3 GLU B 205 8.757 -7.353 -8.875 1.00 0.00 H new ATOM 0 HG2 GLU B 205 10.779 -7.209 -10.262 1.00 0.00 H new ATOM 0 HG3 GLU B 205 10.894 -6.164 -8.860 1.00 0.00 H new ATOM 1481 N ARG B 206 8.833 -5.689 -6.884 1.00 0.00 N ATOM 1482 CA ARG B 206 8.840 -4.288 -6.476 1.00 0.00 C ATOM 1483 C ARG B 206 8.692 -4.149 -4.966 1.00 0.00 C ATOM 1484 O ARG B 206 9.557 -3.578 -4.297 1.00 0.00 O ATOM 1485 CB ARG B 206 7.724 -3.505 -7.179 1.00 0.00 C ATOM 1486 CG ARG B 206 8.046 -3.086 -8.610 1.00 0.00 C ATOM 1487 CD ARG B 206 8.112 -4.272 -9.559 1.00 0.00 C ATOM 1488 NE ARG B 206 8.422 -3.859 -10.926 1.00 0.00 N ATOM 1489 CZ ARG B 206 8.252 -4.629 -12.001 1.00 0.00 C ATOM 1490 NH1 ARG B 206 7.779 -5.866 -11.874 1.00 0.00 N ATOM 1491 NH2 ARG B 206 8.557 -4.160 -13.205 1.00 0.00 N ATOM 0 H ARG B 206 8.079 -5.938 -7.524 1.00 0.00 H new ATOM 0 HA ARG B 206 9.804 -3.872 -6.770 1.00 0.00 H new ATOM 0 HB2 ARG B 206 6.820 -4.115 -7.188 1.00 0.00 H new ATOM 0 HB3 ARG B 206 7.501 -2.612 -6.595 1.00 0.00 H new ATOM 0 HG2 ARG B 206 7.288 -2.385 -8.960 1.00 0.00 H new ATOM 0 HG3 ARG B 206 8.999 -2.558 -8.626 1.00 0.00 H new ATOM 0 HD2 ARG B 206 8.870 -4.974 -9.211 1.00 0.00 H new ATOM 0 HD3 ARG B 206 7.159 -4.800 -9.547 1.00 0.00 H new ATOM 0 HE ARG B 206 8.793 -2.919 -11.067 1.00 0.00 H new ATOM 0 HH11 ARG B 206 7.544 -6.230 -10.951 1.00 0.00 H new ATOM 0 HH12 ARG B 206 7.651 -6.450 -12.700 1.00 0.00 H new ATOM 0 HH21 ARG B 206 8.921 -3.212 -13.306 1.00 0.00 H new ATOM 0 HH22 ARG B 206 8.428 -4.747 -14.029 1.00 0.00 H new ATOM 1505 N LEU B 207 7.611 -4.698 -4.435 1.00 0.00 N ATOM 1506 CA LEU B 207 7.285 -4.530 -3.029 1.00 0.00 C ATOM 1507 C LEU B 207 8.289 -5.223 -2.121 1.00 0.00 C ATOM 1508 O LEU B 207 9.044 -4.564 -1.419 1.00 0.00 O ATOM 1509 CB LEU B 207 5.882 -5.056 -2.737 1.00 0.00 C ATOM 1510 CG LEU B 207 5.481 -5.054 -1.259 1.00 0.00 C ATOM 1511 CD1 LEU B 207 5.544 -3.653 -0.673 1.00 0.00 C ATOM 1512 CD2 LEU B 207 4.094 -5.630 -1.107 1.00 0.00 C ATOM 0 H LEU B 207 6.944 -5.265 -4.958 1.00 0.00 H new ATOM 0 HA LEU B 207 7.325 -3.461 -2.820 1.00 0.00 H new ATOM 0 HB2 LEU B 207 5.163 -4.455 -3.293 1.00 0.00 H new ATOM 0 HB3 LEU B 207 5.807 -6.075 -3.116 1.00 0.00 H new ATOM 0 HG LEU B 207 6.189 -5.674 -0.708 1.00 0.00 H new ATOM 0 HD11 LEU B 207 5.254 -3.684 0.377 1.00 0.00 H new ATOM 0 HD12 LEU B 207 6.561 -3.269 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU B 207 4.863 -3.000 -1.218 1.00 0.00 H new ATOM 0 HD21 LEU B 207 3.812 -5.627 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU B 207 3.385 -5.027 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU B 207 4.082 -6.653 -1.483 1.00 0.00 H new ATOM 1524 N LYS B 208 8.311 -6.549 -2.164 1.00 0.00 N ATOM 1525 CA LYS B 208 9.055 -7.346 -1.192 1.00 0.00 C ATOM 1526 C LYS B 208 10.534 -6.968 -1.153 1.00 0.00 C ATOM 1527 O LYS B 208 11.128 -6.881 -0.075 1.00 0.00 O ATOM 1528 CB LYS B 208 8.894 -8.836 -1.507 1.00 0.00 C ATOM 1529 CG LYS B 208 9.516 -9.766 -0.478 1.00 0.00 C ATOM 1530 CD LYS B 208 9.419 -11.223 -0.916 1.00 0.00 C ATOM 1531 CE LYS B 208 7.981 -11.636 -1.217 1.00 0.00 C ATOM 1532 NZ LYS B 208 7.886 -13.048 -1.683 1.00 0.00 N ATOM 0 H LYS B 208 7.819 -7.100 -2.867 1.00 0.00 H new ATOM 0 HA LYS B 208 8.642 -7.136 -0.205 1.00 0.00 H new ATOM 0 HB2 LYS B 208 7.831 -9.065 -1.590 1.00 0.00 H new ATOM 0 HB3 LYS B 208 9.341 -9.040 -2.480 1.00 0.00 H new ATOM 0 HG2 LYS B 208 10.562 -9.498 -0.328 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.014 -9.638 0.481 1.00 0.00 H new ATOM 0 HD2 LYS B 208 10.033 -11.376 -1.803 1.00 0.00 H new ATOM 0 HD3 LYS B 208 9.824 -11.864 -0.133 1.00 0.00 H new ATOM 0 HE2 LYS B 208 7.373 -11.509 -0.321 1.00 0.00 H new ATOM 0 HE3 LYS B 208 7.567 -10.975 -1.979 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 7.037 -13.162 -2.273 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 8.731 -13.287 -2.241 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 7.824 -13.682 -0.861 1.00 0.00 H new ATOM 1546 N ARG B 209 11.127 -6.715 -2.314 1.00 0.00 N ATOM 1547 CA ARG B 209 12.554 -6.432 -2.355 1.00 0.00 C ATOM 1548 C ARG B 209 12.862 -5.017 -1.875 1.00 0.00 C ATOM 1549 O ARG B 209 13.855 -4.807 -1.183 1.00 0.00 O ATOM 1550 CB ARG B 209 13.140 -6.678 -3.747 1.00 0.00 C ATOM 1551 CG ARG B 209 13.362 -8.154 -4.058 1.00 0.00 C ATOM 1552 CD ARG B 209 12.052 -8.886 -4.298 1.00 0.00 C ATOM 1553 NE ARG B 209 12.225 -10.334 -4.392 1.00 0.00 N ATOM 1554 CZ ARG B 209 12.288 -11.009 -5.539 1.00 0.00 C ATOM 1555 NH1 ARG B 209 12.313 -10.363 -6.701 1.00 0.00 N ATOM 1556 NH2 ARG B 209 12.357 -12.335 -5.522 1.00 0.00 N ATOM 0 H ARG B 209 10.655 -6.700 -3.218 1.00 0.00 H new ATOM 0 HA ARG B 209 13.035 -7.127 -1.666 1.00 0.00 H new ATOM 0 HB2 ARG B 209 12.471 -6.253 -4.495 1.00 0.00 H new ATOM 0 HB3 ARG B 209 14.090 -6.150 -3.832 1.00 0.00 H new ATOM 0 HG2 ARG B 209 13.997 -8.248 -4.939 1.00 0.00 H new ATOM 0 HG3 ARG B 209 13.894 -8.623 -3.230 1.00 0.00 H new ATOM 0 HD2 ARG B 209 11.360 -8.659 -3.487 1.00 0.00 H new ATOM 0 HD3 ARG B 209 11.598 -8.518 -5.218 1.00 0.00 H new ATOM 0 HE ARG B 209 12.303 -10.862 -3.523 1.00 0.00 H new ATOM 0 HH11 ARG B 209 12.284 -9.344 -6.718 1.00 0.00 H new ATOM 0 HH12 ARG B 209 12.361 -10.887 -7.575 1.00 0.00 H new ATOM 0 HH21 ARG B 209 12.362 -12.834 -4.632 1.00 0.00 H new ATOM 0 HH22 ARG B 209 12.405 -12.854 -6.398 1.00 0.00 H new ATOM 1570 N LYS B 210 12.013 -4.048 -2.207 1.00 0.00 N ATOM 1571 CA LYS B 210 12.242 -2.675 -1.754 1.00 0.00 C ATOM 1572 C LYS B 210 11.732 -2.468 -0.336 1.00 0.00 C ATOM 1573 O LYS B 210 12.127 -1.524 0.344 1.00 0.00 O ATOM 1574 CB LYS B 210 11.604 -1.654 -2.698 1.00 0.00 C ATOM 1575 CG LYS B 210 12.362 -1.476 -4.006 1.00 0.00 C ATOM 1576 CD LYS B 210 13.854 -1.268 -3.771 1.00 0.00 C ATOM 1577 CE LYS B 210 14.135 -0.098 -2.837 1.00 0.00 C ATOM 1578 NZ LYS B 210 15.553 -0.079 -2.391 1.00 0.00 N ATOM 0 H LYS B 210 11.177 -4.181 -2.776 1.00 0.00 H new ATOM 0 HA LYS B 210 13.320 -2.515 -1.761 1.00 0.00 H new ATOM 0 HB2 LYS B 210 10.583 -1.965 -2.919 1.00 0.00 H new ATOM 0 HB3 LYS B 210 11.542 -0.692 -2.190 1.00 0.00 H new ATOM 0 HG2 LYS B 210 12.212 -2.353 -4.636 1.00 0.00 H new ATOM 0 HG3 LYS B 210 11.957 -0.622 -4.548 1.00 0.00 H new ATOM 0 HD2 LYS B 210 14.283 -2.177 -3.350 1.00 0.00 H new ATOM 0 HD3 LYS B 210 14.349 -1.094 -4.726 1.00 0.00 H new ATOM 0 HE2 LYS B 210 13.901 0.838 -3.345 1.00 0.00 H new ATOM 0 HE3 LYS B 210 13.481 -0.161 -1.967 1.00 0.00 H new ATOM 0 HZ1 LYS B 210 15.643 0.519 -1.545 1.00 0.00 H new ATOM 0 HZ2 LYS B 210 15.859 -1.047 -2.165 1.00 0.00 H new ATOM 0 HZ3 LYS B 210 16.151 0.305 -3.151 1.00 0.00 H new ATOM 1592 N TYR B 211 10.849 -3.347 0.094 1.00 0.00 N ATOM 1593 CA TYR B 211 10.355 -3.346 1.460 1.00 0.00 C ATOM 1594 C TYR B 211 11.485 -3.727 2.407 1.00 0.00 C ATOM 1595 O TYR B 211 11.670 -3.115 3.461 1.00 0.00 O ATOM 1596 CB TYR B 211 9.188 -4.340 1.567 1.00 0.00 C ATOM 1597 CG TYR B 211 8.541 -4.459 2.930 1.00 0.00 C ATOM 1598 CD1 TYR B 211 7.241 -4.022 3.127 1.00 0.00 C ATOM 1599 CD2 TYR B 211 9.214 -5.021 4.009 1.00 0.00 C ATOM 1600 CE1 TYR B 211 6.628 -4.140 4.363 1.00 0.00 C ATOM 1601 CE2 TYR B 211 8.612 -5.139 5.245 1.00 0.00 C ATOM 1602 CZ TYR B 211 7.320 -4.696 5.419 1.00 0.00 C ATOM 1603 OH TYR B 211 6.717 -4.817 6.652 1.00 0.00 O ATOM 0 H TYR B 211 10.453 -4.082 -0.492 1.00 0.00 H new ATOM 0 HA TYR B 211 9.998 -2.353 1.735 1.00 0.00 H new ATOM 0 HB2 TYR B 211 8.422 -4.050 0.847 1.00 0.00 H new ATOM 0 HB3 TYR B 211 9.547 -5.325 1.270 1.00 0.00 H new ATOM 0 HD1 TYR B 211 6.697 -3.583 2.304 1.00 0.00 H new ATOM 0 HD2 TYR B 211 10.227 -5.372 3.877 1.00 0.00 H new ATOM 0 HE1 TYR B 211 5.613 -3.798 4.500 1.00 0.00 H new ATOM 0 HE2 TYR B 211 9.152 -5.577 6.072 1.00 0.00 H new ATOM 0 HH TYR B 211 7.343 -5.230 7.283 1.00 0.00 H new ATOM 1613 N ARG B 212 12.250 -4.731 2.010 1.00 0.00 N ATOM 1614 CA ARG B 212 13.314 -5.258 2.848 1.00 0.00 C ATOM 1615 C ARG B 212 14.643 -4.551 2.576 1.00 0.00 C ATOM 1616 O ARG B 212 15.398 -4.248 3.505 1.00 0.00 O ATOM 1617 CB ARG B 212 13.433 -6.764 2.612 1.00 0.00 C ATOM 1618 CG ARG B 212 14.366 -7.479 3.572 1.00 0.00 C ATOM 1619 CD ARG B 212 14.212 -8.987 3.449 1.00 0.00 C ATOM 1620 NE ARG B 212 14.469 -9.448 2.087 1.00 0.00 N ATOM 1621 CZ ARG B 212 13.852 -10.482 1.519 1.00 0.00 C ATOM 1622 NH1 ARG B 212 12.926 -11.170 2.181 1.00 0.00 N ATOM 1623 NH2 ARG B 212 14.160 -10.823 0.275 1.00 0.00 N ATOM 0 H ARG B 212 12.153 -5.199 1.109 1.00 0.00 H new ATOM 0 HA ARG B 212 13.067 -5.074 3.894 1.00 0.00 H new ATOM 0 HB2 ARG B 212 12.442 -7.211 2.688 1.00 0.00 H new ATOM 0 HB3 ARG B 212 13.781 -6.933 1.593 1.00 0.00 H new ATOM 0 HG2 ARG B 212 15.398 -7.196 3.363 1.00 0.00 H new ATOM 0 HG3 ARG B 212 14.151 -7.169 4.595 1.00 0.00 H new ATOM 0 HD2 ARG B 212 14.900 -9.480 4.136 1.00 0.00 H new ATOM 0 HD3 ARG B 212 13.204 -9.275 3.746 1.00 0.00 H new ATOM 0 HE ARG B 212 15.165 -8.946 1.536 1.00 0.00 H new ATOM 0 HH11 ARG B 212 12.681 -10.907 3.136 1.00 0.00 H new ATOM 0 HH12 ARG B 212 12.461 -11.960 1.734 1.00 0.00 H new ATOM 0 HH21 ARG B 212 14.865 -10.294 -0.239 1.00 0.00 H new ATOM 0 HH22 ARG B 212 13.692 -11.614 -0.168 1.00 0.00 H new ATOM 1637 N ASN B 213 14.920 -4.269 1.310 1.00 0.00 N ATOM 1638 CA ASN B 213 16.175 -3.634 0.927 1.00 0.00 C ATOM 1639 C ASN B 213 15.908 -2.383 0.094 1.00 0.00 C ATOM 1640 O ASN B 213 15.795 -1.289 0.685 1.00 0.00 O ATOM 1641 CB ASN B 213 17.048 -4.624 0.149 1.00 0.00 C ATOM 1642 CG ASN B 213 18.421 -4.071 -0.180 1.00 0.00 C ATOM 1643 OD1 ASN B 213 19.355 -4.191 0.611 1.00 0.00 O ATOM 1644 ND2 ASN B 213 18.558 -3.473 -1.352 1.00 0.00 N ATOM 1645 OXT ASN B 213 15.796 -2.493 -1.146 1.00 0.00 O ATOM 0 H ASN B 213 14.293 -4.470 0.531 1.00 0.00 H new ATOM 0 HA ASN B 213 16.707 -3.335 1.830 1.00 0.00 H new ATOM 0 HB2 ASN B 213 17.161 -5.537 0.733 1.00 0.00 H new ATOM 0 HB3 ASN B 213 16.541 -4.898 -0.776 1.00 0.00 H new ATOM 0 HD21 ASN B 213 19.463 -3.091 -1.627 1.00 0.00 H new ATOM 0 HD22 ASN B 213 17.759 -3.393 -1.981 1.00 0.00 H new TER 1652 ASN B 213