USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 934 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 98 ASN : amide:sc= -0.65 K(o=-4.4,f=-5!) USER MOD Set 1.2: A 102 SER OG : rot -61:sc= -3.71! USER MOD Set 2.1: A 92 THR OG1 : rot 133:sc= -1.02! USER MOD Set 2.2: A 94 ASN : amide:sc= 0.259 K(o=-0.76,f=-2.5) USER MOD Set 3.1: A 50 HIS : no HD1:sc= -0.0232 K(o=-0.29,f=-2.4) USER MOD Set 3.2: A 51 ASN :FLIP amide:sc= -0.263 F(o=-1.6,f=-0.29) USER MOD Single : A 1 GLY N :NH3+ 166:sc=-0.00109 (180deg=-0.211) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -71:sc= 1.19 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -2.57! C(o=-2.6!,f=-4.6!) USER MOD Single : A 17 LYS NZ :NH3+ -177:sc= 1.12 (180deg=1.12) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.996! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -4.68! C(o=-5.8!,f=-4.7!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -156:sc= -0.141 (180deg=-0.719) USER MOD Single : A 36 HIS : no HD1:sc= -11.4! C(o=-11!,f=-12!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0.0438 K(o=0.044,f=-0.77) USER MOD Single : A 45 CYS SG : rot 180:sc= -0.0477 USER MOD Single : A 52 HIS :FLIP no HD1:sc= -7.59! C(o=-9.5!,f=-7.6!) USER MOD Single : A 54 ASN : amide:sc= -1.03 K(o=-1,f=-1.9!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 54:sc= 0.268 USER MOD Single : A 61 SER OG : rot 150:sc= -2.15! USER MOD Single : A 63 THR OG1 : rot -137:sc= -3.47 USER MOD Single : A 74 HIS : no HD1:sc= -21.9! C(o=-22!,f=-23!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.676 K(o=-0.68,f=-1.2) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS :FLIP no HD1:sc= -17.7! C(o=-19!,f=-18!) USER MOD Single : A 101 ASN : amide:sc= -0.0138 K(o=-0.014,f=-2.6!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 150:sc= 0.488 (180deg=0.121) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -34:sc= 0.35 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -37.005 0.745 17.358 1.00 0.00 N ATOM 2 CA GLY A 1 -37.769 0.217 16.240 1.00 0.00 C ATOM 3 C GLY A 1 -36.843 -0.330 15.152 1.00 0.00 C ATOM 4 O GLY A 1 -37.123 -0.186 13.963 1.00 0.00 O ATOM 0 H1 GLY A 1 -37.627 1.316 17.965 1.00 0.00 H new ATOM 0 H2 GLY A 1 -36.609 -0.042 17.911 1.00 0.00 H new ATOM 0 H3 GLY A 1 -36.231 1.340 16.999 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -38.432 -0.574 16.590 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -38.401 1.002 15.824 1.00 0.00 H new ATOM 8 N ILE A 2 -35.758 -0.946 15.598 1.00 0.00 N ATOM 9 CA ILE A 2 -34.789 -1.515 14.677 1.00 0.00 C ATOM 10 C ILE A 2 -33.719 -2.268 15.470 1.00 0.00 C ATOM 11 O ILE A 2 -33.364 -1.866 16.577 1.00 0.00 O ATOM 12 CB ILE A 2 -34.223 -0.431 13.757 1.00 0.00 C ATOM 13 CG1 ILE A 2 -34.492 0.964 14.324 1.00 0.00 C ATOM 14 CG2 ILE A 2 -34.762 -0.585 12.333 1.00 0.00 C ATOM 15 CD1 ILE A 2 -33.453 1.969 13.823 1.00 0.00 C ATOM 0 H ILE A 2 -35.529 -1.063 16.585 1.00 0.00 H new ATOM 0 HA ILE A 2 -35.269 -2.240 14.020 1.00 0.00 H new ATOM 0 HB ILE A 2 -33.141 -0.555 13.707 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -35.490 1.292 14.034 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -34.472 0.928 15.413 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -34.345 0.197 11.699 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -34.477 -1.561 11.940 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -35.849 -0.501 12.344 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -33.667 2.953 14.241 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -32.459 1.651 14.136 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -33.492 2.021 12.735 1.00 0.00 H new ATOM 27 N PRO A 3 -33.222 -3.376 14.858 1.00 0.00 N ATOM 28 CA PRO A 3 -32.200 -4.188 15.495 1.00 0.00 C ATOM 29 C PRO A 3 -30.835 -3.500 15.433 1.00 0.00 C ATOM 30 O PRO A 3 -30.753 -2.296 15.197 1.00 0.00 O ATOM 31 CB PRO A 3 -32.231 -5.514 14.751 1.00 0.00 C ATOM 32 CG PRO A 3 -32.938 -5.236 13.434 1.00 0.00 C ATOM 33 CD PRO A 3 -33.619 -3.882 13.547 1.00 0.00 C ATOM 0 HA PRO A 3 -32.385 -4.338 16.559 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -31.222 -5.890 14.581 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -32.761 -6.273 15.327 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -32.224 -5.237 12.610 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -33.670 -6.015 13.222 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -33.300 -3.210 12.750 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -34.702 -3.976 13.470 1.00 0.00 H new ATOM 41 N ASP A 4 -29.797 -4.295 15.650 1.00 0.00 N ATOM 42 CA ASP A 4 -28.439 -3.777 15.622 1.00 0.00 C ATOM 43 C ASP A 4 -28.062 -3.426 14.181 1.00 0.00 C ATOM 44 O ASP A 4 -28.351 -4.185 13.257 1.00 0.00 O ATOM 45 CB ASP A 4 -27.442 -4.819 16.132 1.00 0.00 C ATOM 46 CG ASP A 4 -26.002 -4.321 16.270 1.00 0.00 C ATOM 47 OD1 ASP A 4 -25.833 -3.086 16.354 1.00 0.00 O ATOM 48 OD2 ASP A 4 -25.101 -5.188 16.290 1.00 0.00 O ATOM 0 H ASP A 4 -29.869 -5.293 15.846 1.00 0.00 H new ATOM 0 HA ASP A 4 -28.400 -2.897 16.264 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -27.781 -5.179 17.103 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -27.452 -5.672 15.454 1.00 0.00 H new ATOM 53 N LEU A 5 -27.421 -2.276 14.035 1.00 0.00 N ATOM 54 CA LEU A 5 -27.001 -1.815 12.722 1.00 0.00 C ATOM 55 C LEU A 5 -28.118 -2.080 11.711 1.00 0.00 C ATOM 56 O LEU A 5 -28.272 -3.201 11.230 1.00 0.00 O ATOM 57 CB LEU A 5 -25.661 -2.445 12.337 1.00 0.00 C ATOM 58 CG LEU A 5 -24.411 -1.649 12.716 1.00 0.00 C ATOM 59 CD1 LEU A 5 -23.526 -2.443 13.679 1.00 0.00 C ATOM 60 CD2 LEU A 5 -23.645 -1.203 11.469 1.00 0.00 C ATOM 0 H LEU A 5 -27.182 -1.650 14.804 1.00 0.00 H new ATOM 0 HA LEU A 5 -26.830 -0.739 12.733 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -25.597 -3.428 12.804 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -25.653 -2.603 11.259 1.00 0.00 H new ATOM 0 HG LEU A 5 -24.727 -0.746 13.239 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -22.644 -1.854 13.932 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -24.086 -2.667 14.587 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -23.216 -3.374 13.205 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -22.761 -0.639 11.767 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -23.341 -2.079 10.896 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -24.287 -0.573 10.854 1.00 0.00 H new ATOM 72 N VAL A 6 -28.870 -1.028 11.420 1.00 0.00 N ATOM 73 CA VAL A 6 -29.969 -1.133 10.475 1.00 0.00 C ATOM 74 C VAL A 6 -29.407 -1.289 9.061 1.00 0.00 C ATOM 75 O VAL A 6 -29.022 -2.386 8.659 1.00 0.00 O ATOM 76 CB VAL A 6 -30.900 0.073 10.619 1.00 0.00 C ATOM 77 CG1 VAL A 6 -31.815 0.207 9.401 1.00 0.00 C ATOM 78 CG2 VAL A 6 -31.715 -0.015 11.911 1.00 0.00 C ATOM 0 H VAL A 6 -28.740 -0.100 11.822 1.00 0.00 H new ATOM 0 HA VAL A 6 -30.570 -2.018 10.685 1.00 0.00 H new ATOM 0 HB VAL A 6 -30.282 0.969 10.674 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -32.466 1.072 9.529 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -31.210 0.338 8.504 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -32.422 -0.693 9.301 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -32.368 0.854 11.989 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -32.318 -0.923 11.899 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -31.040 -0.039 12.766 1.00 0.00 H new ATOM 88 N LYS A 7 -29.377 -0.175 8.344 1.00 0.00 N ATOM 89 CA LYS A 7 -28.869 -0.174 6.983 1.00 0.00 C ATOM 90 C LYS A 7 -27.350 0.010 7.011 1.00 0.00 C ATOM 91 O LYS A 7 -26.783 0.651 6.127 1.00 0.00 O ATOM 92 CB LYS A 7 -29.600 0.872 6.138 1.00 0.00 C ATOM 93 CG LYS A 7 -29.279 2.288 6.621 1.00 0.00 C ATOM 94 CD LYS A 7 -30.464 2.889 7.381 1.00 0.00 C ATOM 95 CE LYS A 7 -30.739 4.322 6.921 1.00 0.00 C ATOM 96 NZ LYS A 7 -31.552 5.042 7.927 1.00 0.00 N ATOM 0 H LYS A 7 -29.696 0.733 8.680 1.00 0.00 H new ATOM 0 HA LYS A 7 -29.066 -1.132 6.502 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -29.311 0.766 5.092 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -30.675 0.701 6.191 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -28.401 2.266 7.267 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -29.031 2.920 5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -31.351 2.276 7.223 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -30.257 2.880 8.451 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -29.797 4.847 6.763 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -31.261 4.309 5.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -31.730 6.013 7.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -32.459 4.549 8.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -31.040 5.070 8.832 1.00 0.00 H new ATOM 110 N GLY A 8 -26.735 -0.563 8.035 1.00 0.00 N ATOM 111 CA GLY A 8 -25.294 -0.470 8.189 1.00 0.00 C ATOM 112 C GLY A 8 -24.887 0.905 8.723 1.00 0.00 C ATOM 113 O GLY A 8 -23.994 1.549 8.174 1.00 0.00 O ATOM 0 H GLY A 8 -27.209 -1.093 8.766 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -24.947 -1.246 8.871 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -24.810 -0.649 7.229 1.00 0.00 H new ATOM 117 N PRO A 9 -25.579 1.325 9.816 1.00 0.00 N ATOM 118 CA PRO A 9 -25.299 2.612 10.430 1.00 0.00 C ATOM 119 C PRO A 9 -23.996 2.565 11.231 1.00 0.00 C ATOM 120 O PRO A 9 -23.915 1.882 12.251 1.00 0.00 O ATOM 121 CB PRO A 9 -26.516 2.909 11.292 1.00 0.00 C ATOM 122 CG PRO A 9 -27.219 1.577 11.494 1.00 0.00 C ATOM 123 CD PRO A 9 -26.643 0.589 10.493 1.00 0.00 C ATOM 0 HA PRO A 9 -25.144 3.404 9.697 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -26.221 3.344 12.247 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -27.174 3.628 10.804 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -27.071 1.218 12.513 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -28.294 1.686 11.347 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -26.255 -0.299 10.992 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -27.402 0.252 9.787 1.00 0.00 H new ATOM 131 N TRP A 10 -23.010 3.300 10.739 1.00 0.00 N ATOM 132 CA TRP A 10 -21.715 3.351 11.396 1.00 0.00 C ATOM 133 C TRP A 10 -21.515 4.768 11.937 1.00 0.00 C ATOM 134 O TRP A 10 -22.231 5.690 11.551 1.00 0.00 O ATOM 135 CB TRP A 10 -20.600 2.911 10.445 1.00 0.00 C ATOM 136 CG TRP A 10 -20.698 1.449 10.004 1.00 0.00 C ATOM 137 CD1 TRP A 10 -21.804 0.739 9.743 1.00 0.00 C ATOM 138 CD2 TRP A 10 -19.598 0.542 9.782 1.00 0.00 C ATOM 139 NE1 TRP A 10 -21.499 -0.554 9.370 1.00 0.00 N ATOM 140 CE2 TRP A 10 -20.114 -0.678 9.395 1.00 0.00 C ATOM 141 CE3 TRP A 10 -18.212 0.745 9.905 1.00 0.00 C ATOM 142 CZ2 TRP A 10 -19.316 -1.789 9.099 1.00 0.00 C ATOM 143 CZ3 TRP A 10 -17.428 -0.375 9.605 1.00 0.00 C ATOM 144 CH2 TRP A 10 -17.932 -1.610 9.214 1.00 0.00 C ATOM 0 H TRP A 10 -23.082 3.865 9.893 1.00 0.00 H new ATOM 0 HA TRP A 10 -21.678 2.651 12.231 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -20.618 3.548 9.561 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -19.638 3.069 10.932 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -22.808 1.130 9.815 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -22.166 -1.284 9.122 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -17.786 1.690 10.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -19.745 -2.734 8.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -16.356 -0.272 9.683 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -17.259 -2.427 9.000 1.00 0.00 H new ATOM 155 N THR A 11 -20.537 4.896 12.822 1.00 0.00 N ATOM 156 CA THR A 11 -20.234 6.185 13.420 1.00 0.00 C ATOM 157 C THR A 11 -18.763 6.246 13.838 1.00 0.00 C ATOM 158 O THR A 11 -18.063 5.236 13.807 1.00 0.00 O ATOM 159 CB THR A 11 -21.205 6.408 14.580 1.00 0.00 C ATOM 160 OG1 THR A 11 -20.656 5.639 15.646 1.00 0.00 O ATOM 161 CG2 THR A 11 -22.574 5.773 14.329 1.00 0.00 C ATOM 0 H THR A 11 -19.945 4.129 13.139 1.00 0.00 H new ATOM 0 HA THR A 11 -20.370 6.995 12.704 1.00 0.00 H new ATOM 0 HB THR A 11 -21.327 7.478 14.749 1.00 0.00 H new ATOM 0 HG1 THR A 11 -20.766 4.685 15.452 1.00 0.00 H new ATOM 0 HG21 THR A 11 -23.224 5.961 15.183 1.00 0.00 H new ATOM 0 HG22 THR A 11 -23.017 6.207 13.433 1.00 0.00 H new ATOM 0 HG23 THR A 11 -22.457 4.698 14.192 1.00 0.00 H new ATOM 169 N LYS A 12 -18.339 7.442 14.219 1.00 0.00 N ATOM 170 CA LYS A 12 -16.964 7.648 14.643 1.00 0.00 C ATOM 171 C LYS A 12 -16.532 6.487 15.541 1.00 0.00 C ATOM 172 O LYS A 12 -15.367 6.094 15.536 1.00 0.00 O ATOM 173 CB LYS A 12 -16.805 9.023 15.296 1.00 0.00 C ATOM 174 CG LYS A 12 -15.338 9.310 15.618 1.00 0.00 C ATOM 175 CD LYS A 12 -15.192 9.920 17.014 1.00 0.00 C ATOM 176 CE LYS A 12 -14.509 11.287 16.946 1.00 0.00 C ATOM 177 NZ LYS A 12 -14.199 11.780 18.307 1.00 0.00 N ATOM 0 H LYS A 12 -18.923 8.278 14.243 1.00 0.00 H new ATOM 0 HA LYS A 12 -16.296 7.651 13.782 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.192 9.793 14.629 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -17.397 9.066 16.210 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.762 8.387 15.559 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -14.925 9.992 14.874 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -16.175 10.023 17.474 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.611 9.250 17.648 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.592 11.213 16.362 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.157 11.999 16.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.736 12.709 18.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.080 11.869 18.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.563 11.108 18.783 1.00 0.00 H new ATOM 191 N GLU A 13 -17.495 5.970 16.290 1.00 0.00 N ATOM 192 CA GLU A 13 -17.229 4.862 17.191 1.00 0.00 C ATOM 193 C GLU A 13 -16.717 3.652 16.408 1.00 0.00 C ATOM 194 O GLU A 13 -15.751 3.008 16.815 1.00 0.00 O ATOM 195 CB GLU A 13 -18.476 4.502 18.001 1.00 0.00 C ATOM 196 CG GLU A 13 -18.117 4.205 19.458 1.00 0.00 C ATOM 197 CD GLU A 13 -18.547 2.790 19.852 1.00 0.00 C ATOM 198 OE1 GLU A 13 -19.488 2.283 19.204 1.00 0.00 O ATOM 199 OE2 GLU A 13 -17.925 2.248 20.791 1.00 0.00 O ATOM 0 H GLU A 13 -18.461 6.298 16.291 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.455 5.170 17.894 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -19.191 5.324 17.959 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -18.963 3.633 17.558 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -17.042 4.315 19.601 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -18.602 4.931 20.111 1.00 0.00 H new ATOM 206 N GLU A 14 -17.386 3.379 15.297 1.00 0.00 N ATOM 207 CA GLU A 14 -17.010 2.258 14.453 1.00 0.00 C ATOM 208 C GLU A 14 -15.547 2.385 14.023 1.00 0.00 C ATOM 209 O GLU A 14 -14.820 1.393 13.983 1.00 0.00 O ATOM 210 CB GLU A 14 -17.932 2.154 13.237 1.00 0.00 C ATOM 211 CG GLU A 14 -19.289 1.563 13.626 1.00 0.00 C ATOM 212 CD GLU A 14 -19.760 2.113 14.974 1.00 0.00 C ATOM 213 OE1 GLU A 14 -20.092 3.318 15.011 1.00 0.00 O ATOM 214 OE2 GLU A 14 -19.778 1.317 15.937 1.00 0.00 O ATOM 0 H GLU A 14 -18.186 3.915 14.962 1.00 0.00 H new ATOM 0 HA GLU A 14 -17.120 1.340 15.031 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -18.074 3.142 12.798 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -17.465 1.531 12.474 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.025 1.796 12.857 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.215 0.477 13.678 1.00 0.00 H new ATOM 221 N ASP A 15 -15.160 3.613 13.711 1.00 0.00 N ATOM 222 CA ASP A 15 -13.797 3.882 13.285 1.00 0.00 C ATOM 223 C ASP A 15 -12.864 3.805 14.496 1.00 0.00 C ATOM 224 O ASP A 15 -12.041 2.896 14.593 1.00 0.00 O ATOM 225 CB ASP A 15 -13.674 5.283 12.682 1.00 0.00 C ATOM 226 CG ASP A 15 -13.882 5.355 11.168 1.00 0.00 C ATOM 227 OD1 ASP A 15 -13.014 4.813 10.450 1.00 0.00 O ATOM 228 OD2 ASP A 15 -14.903 5.951 10.763 1.00 0.00 O ATOM 0 H ASP A 15 -15.766 4.433 13.745 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.527 3.141 12.533 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.401 5.935 13.165 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.686 5.678 12.917 1.00 0.00 H new ATOM 233 N GLN A 16 -13.024 4.771 15.388 1.00 0.00 N ATOM 234 CA GLN A 16 -12.207 4.824 16.588 1.00 0.00 C ATOM 235 C GLN A 16 -12.075 3.430 17.203 1.00 0.00 C ATOM 236 O GLN A 16 -11.110 3.148 17.911 1.00 0.00 O ATOM 237 CB GLN A 16 -12.783 5.817 17.600 1.00 0.00 C ATOM 238 CG GLN A 16 -14.272 5.558 17.837 1.00 0.00 C ATOM 239 CD GLN A 16 -14.525 5.089 19.271 1.00 0.00 C ATOM 240 OE1 GLN A 16 -14.419 3.918 19.597 1.00 0.00 O ATOM 241 NE2 GLN A 16 -14.864 6.066 20.108 1.00 0.00 N ATOM 0 H GLN A 16 -13.708 5.523 15.304 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.212 5.173 16.311 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -12.242 5.736 18.543 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.641 6.835 17.237 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -14.839 6.469 17.643 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.630 4.804 17.136 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.935 7.026 19.770 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.053 5.855 21.088 1.00 0.00 H new ATOM 250 N LYS A 17 -13.060 2.593 16.910 1.00 0.00 N ATOM 251 CA LYS A 17 -13.066 1.235 17.425 1.00 0.00 C ATOM 252 C LYS A 17 -11.965 0.427 16.735 1.00 0.00 C ATOM 253 O LYS A 17 -10.888 0.232 17.298 1.00 0.00 O ATOM 254 CB LYS A 17 -14.459 0.616 17.288 1.00 0.00 C ATOM 255 CG LYS A 17 -15.304 0.886 18.536 1.00 0.00 C ATOM 256 CD LYS A 17 -16.781 0.589 18.272 1.00 0.00 C ATOM 257 CE LYS A 17 -17.378 -0.261 19.395 1.00 0.00 C ATOM 258 NZ LYS A 17 -18.832 -0.446 19.188 1.00 0.00 N ATOM 0 H LYS A 17 -13.859 2.830 16.322 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.844 1.232 18.492 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.959 1.026 16.410 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.369 -0.459 17.130 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.947 0.270 19.361 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -15.187 1.926 18.841 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -17.334 1.524 18.186 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -16.886 0.067 17.321 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -16.883 -1.232 19.427 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -17.200 0.220 20.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -19.231 -0.982 19.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -19.295 0.483 19.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -18.993 -0.970 18.304 1.00 0.00 H new ATOM 272 N VAL A 18 -12.272 -0.021 15.527 1.00 0.00 N ATOM 273 CA VAL A 18 -11.322 -0.803 14.755 1.00 0.00 C ATOM 274 C VAL A 18 -9.928 -0.189 14.898 1.00 0.00 C ATOM 275 O VAL A 18 -8.922 -0.887 14.772 1.00 0.00 O ATOM 276 CB VAL A 18 -11.785 -0.902 13.300 1.00 0.00 C ATOM 277 CG1 VAL A 18 -10.659 -1.415 12.399 1.00 0.00 C ATOM 278 CG2 VAL A 18 -13.029 -1.784 13.179 1.00 0.00 C ATOM 0 H VAL A 18 -13.166 0.143 15.064 1.00 0.00 H new ATOM 0 HA VAL A 18 -11.269 -1.823 15.135 1.00 0.00 H new ATOM 0 HB VAL A 18 -12.051 0.100 12.965 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.015 -1.476 11.371 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.812 -0.731 12.450 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.347 -2.404 12.734 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.337 -1.837 12.135 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.801 -2.786 13.542 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -13.837 -1.358 13.774 1.00 0.00 H new ATOM 288 N ILE A 19 -9.912 1.110 15.158 1.00 0.00 N ATOM 289 CA ILE A 19 -8.658 1.826 15.319 1.00 0.00 C ATOM 290 C ILE A 19 -8.022 1.437 16.656 1.00 0.00 C ATOM 291 O ILE A 19 -7.143 0.578 16.703 1.00 0.00 O ATOM 292 CB ILE A 19 -8.875 3.331 15.157 1.00 0.00 C ATOM 293 CG1 ILE A 19 -8.945 3.719 13.678 1.00 0.00 C ATOM 294 CG2 ILE A 19 -7.803 4.125 15.907 1.00 0.00 C ATOM 295 CD1 ILE A 19 -9.551 2.589 12.843 1.00 0.00 C ATOM 0 H ILE A 19 -10.748 1.685 15.261 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.955 1.543 14.536 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.836 3.587 15.604 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.544 4.622 13.563 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.945 3.951 13.311 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.981 5.192 15.775 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.844 3.879 16.968 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.819 3.870 15.513 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.589 2.890 11.796 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -8.936 1.694 12.941 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.560 2.376 13.196 1.00 0.00 H new ATOM 307 N GLU A 20 -8.492 2.088 17.710 1.00 0.00 N ATOM 308 CA GLU A 20 -7.980 1.822 19.043 1.00 0.00 C ATOM 309 C GLU A 20 -8.042 0.323 19.346 1.00 0.00 C ATOM 310 O GLU A 20 -7.362 -0.160 20.249 1.00 0.00 O ATOM 311 CB GLU A 20 -8.747 2.626 20.095 1.00 0.00 C ATOM 312 CG GLU A 20 -8.619 4.128 19.838 1.00 0.00 C ATOM 313 CD GLU A 20 -8.429 4.895 21.148 1.00 0.00 C ATOM 314 OE1 GLU A 20 -7.724 4.352 22.026 1.00 0.00 O ATOM 315 OE2 GLU A 20 -8.993 6.006 21.243 1.00 0.00 O ATOM 0 H GLU A 20 -9.222 2.799 17.668 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.937 2.138 19.081 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.799 2.339 20.081 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.365 2.390 21.088 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.773 4.316 19.176 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.511 4.490 19.327 1.00 0.00 H new ATOM 322 N LEU A 21 -8.864 -0.371 18.572 1.00 0.00 N ATOM 323 CA LEU A 21 -9.023 -1.804 18.746 1.00 0.00 C ATOM 324 C LEU A 21 -7.811 -2.524 18.152 1.00 0.00 C ATOM 325 O LEU A 21 -7.041 -3.152 18.877 1.00 0.00 O ATOM 326 CB LEU A 21 -10.360 -2.269 18.164 1.00 0.00 C ATOM 327 CG LEU A 21 -11.610 -1.866 18.949 1.00 0.00 C ATOM 328 CD1 LEU A 21 -12.879 -2.157 18.147 1.00 0.00 C ATOM 329 CD2 LEU A 21 -11.634 -2.539 20.324 1.00 0.00 C ATOM 0 H LEU A 21 -9.427 0.033 17.823 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.057 -2.057 19.806 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.449 -1.876 17.151 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.340 -3.356 18.084 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.576 -0.790 19.117 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.752 -1.861 18.728 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.857 -1.594 17.214 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.934 -3.223 17.927 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.532 -2.236 20.862 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.634 -3.622 20.199 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.753 -2.239 20.891 1.00 0.00 H new ATOM 341 N VAL A 22 -7.679 -2.408 16.839 1.00 0.00 N ATOM 342 CA VAL A 22 -6.573 -3.039 16.139 1.00 0.00 C ATOM 343 C VAL A 22 -5.262 -2.693 16.848 1.00 0.00 C ATOM 344 O VAL A 22 -4.281 -3.427 16.741 1.00 0.00 O ATOM 345 CB VAL A 22 -6.583 -2.628 14.665 1.00 0.00 C ATOM 346 CG1 VAL A 22 -5.163 -2.595 14.096 1.00 0.00 C ATOM 347 CG2 VAL A 22 -7.482 -3.554 13.844 1.00 0.00 C ATOM 0 H VAL A 22 -8.320 -1.886 16.241 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.677 -4.124 16.160 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.993 -1.620 14.600 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.198 -2.300 13.047 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.564 -1.877 14.655 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.714 -3.585 14.180 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.471 -3.240 12.800 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.115 -4.578 13.919 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.501 -3.505 14.227 1.00 0.00 H new ATOM 357 N LYS A 23 -5.288 -1.573 17.556 1.00 0.00 N ATOM 358 CA LYS A 23 -4.114 -1.120 18.283 1.00 0.00 C ATOM 359 C LYS A 23 -3.976 -1.928 19.575 1.00 0.00 C ATOM 360 O LYS A 23 -2.864 -2.214 20.017 1.00 0.00 O ATOM 361 CB LYS A 23 -4.172 0.392 18.506 1.00 0.00 C ATOM 362 CG LYS A 23 -3.436 1.139 17.392 1.00 0.00 C ATOM 363 CD LYS A 23 -2.503 2.205 17.970 1.00 0.00 C ATOM 364 CE LYS A 23 -3.044 3.611 17.704 1.00 0.00 C ATOM 365 NZ LYS A 23 -1.932 4.561 17.478 1.00 0.00 N ATOM 0 H LYS A 23 -6.103 -0.966 17.642 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.212 -1.298 17.698 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.211 0.718 18.542 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.727 0.638 19.470 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.860 0.432 16.794 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.159 1.607 16.724 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.391 2.052 19.043 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.512 2.104 17.528 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.700 3.596 16.833 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.646 3.941 18.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.317 5.510 17.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.322 4.588 18.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.374 4.253 16.656 1.00 0.00 H new ATOM 379 N LYS A 24 -5.121 -2.272 20.145 1.00 0.00 N ATOM 380 CA LYS A 24 -5.143 -3.041 21.378 1.00 0.00 C ATOM 381 C LYS A 24 -5.260 -4.529 21.044 1.00 0.00 C ATOM 382 O LYS A 24 -5.198 -5.376 21.934 1.00 0.00 O ATOM 383 CB LYS A 24 -6.245 -2.531 22.309 1.00 0.00 C ATOM 384 CG LYS A 24 -5.880 -2.774 23.775 1.00 0.00 C ATOM 385 CD LYS A 24 -7.137 -2.948 24.630 1.00 0.00 C ATOM 386 CE LYS A 24 -7.812 -4.291 24.345 1.00 0.00 C ATOM 387 NZ LYS A 24 -9.275 -4.189 24.547 1.00 0.00 N ATOM 0 H LYS A 24 -6.041 -2.032 19.776 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.210 -2.909 21.925 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.403 -1.466 22.142 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.184 -3.033 22.076 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.255 -3.663 23.855 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.293 -1.936 24.151 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.874 -2.886 25.686 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.835 -2.136 24.427 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.601 -4.601 23.321 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.401 -5.058 25.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.718 -5.109 24.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.471 -3.914 25.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.665 -3.472 23.903 1.00 0.00 H new ATOM 401 N TYR A 25 -5.428 -4.803 19.758 1.00 0.00 N ATOM 402 CA TYR A 25 -5.554 -6.175 19.296 1.00 0.00 C ATOM 403 C TYR A 25 -4.333 -6.591 18.473 1.00 0.00 C ATOM 404 O TYR A 25 -3.715 -7.618 18.749 1.00 0.00 O ATOM 405 CB TYR A 25 -6.793 -6.204 18.399 1.00 0.00 C ATOM 406 CG TYR A 25 -8.103 -6.437 19.154 1.00 0.00 C ATOM 407 CD1 TYR A 25 -8.380 -5.712 20.296 1.00 0.00 C ATOM 408 CD2 TYR A 25 -9.008 -7.371 18.694 1.00 0.00 C ATOM 409 CE1 TYR A 25 -9.613 -5.931 21.007 1.00 0.00 C ATOM 410 CE2 TYR A 25 -10.241 -7.590 19.405 1.00 0.00 C ATOM 411 CZ TYR A 25 -10.483 -6.859 20.526 1.00 0.00 C ATOM 412 OH TYR A 25 -11.647 -7.066 21.198 1.00 0.00 O ATOM 0 H TYR A 25 -5.480 -4.098 19.022 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.632 -6.859 20.141 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.860 -5.260 17.859 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.671 -6.990 17.653 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.672 -4.980 20.656 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.792 -7.938 17.801 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.842 -5.371 21.902 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.958 -8.319 19.056 1.00 0.00 H new ATOM 0 HH TYR A 25 -12.171 -7.756 20.740 1.00 0.00 H new ATOM 422 N GLY A 26 -4.022 -5.771 17.479 1.00 0.00 N ATOM 423 CA GLY A 26 -2.886 -6.041 16.614 1.00 0.00 C ATOM 424 C GLY A 26 -3.327 -6.173 15.155 1.00 0.00 C ATOM 425 O GLY A 26 -3.658 -5.178 14.511 1.00 0.00 O ATOM 0 H GLY A 26 -4.537 -4.920 17.254 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.156 -5.237 16.706 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.392 -6.959 16.933 1.00 0.00 H new ATOM 429 N THR A 27 -3.317 -7.408 14.676 1.00 0.00 N ATOM 430 CA THR A 27 -3.712 -7.682 13.305 1.00 0.00 C ATOM 431 C THR A 27 -3.678 -9.187 13.031 1.00 0.00 C ATOM 432 O THR A 27 -3.024 -9.636 12.091 1.00 0.00 O ATOM 433 CB THR A 27 -2.798 -6.876 12.380 1.00 0.00 C ATOM 434 OG1 THR A 27 -1.681 -6.541 13.200 1.00 0.00 O ATOM 435 CG2 THR A 27 -3.399 -5.521 11.998 1.00 0.00 C ATOM 0 H THR A 27 -3.042 -8.230 15.213 1.00 0.00 H new ATOM 0 HA THR A 27 -4.741 -7.373 13.120 1.00 0.00 H new ATOM 0 HB THR A 27 -2.597 -7.452 11.477 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.037 -6.018 12.678 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.710 -4.990 11.341 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.346 -5.676 11.482 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.569 -4.931 12.899 1.00 0.00 H new ATOM 443 N LYS A 28 -4.392 -9.924 13.869 1.00 0.00 N ATOM 444 CA LYS A 28 -4.453 -11.369 13.728 1.00 0.00 C ATOM 445 C LYS A 28 -5.917 -11.815 13.713 1.00 0.00 C ATOM 446 O LYS A 28 -6.291 -12.702 12.948 1.00 0.00 O ATOM 447 CB LYS A 28 -3.615 -12.048 14.813 1.00 0.00 C ATOM 448 CG LYS A 28 -3.571 -13.563 14.604 1.00 0.00 C ATOM 449 CD LYS A 28 -3.413 -14.296 15.938 1.00 0.00 C ATOM 450 CE LYS A 28 -4.672 -14.153 16.795 1.00 0.00 C ATOM 451 NZ LYS A 28 -4.358 -13.464 18.067 1.00 0.00 N ATOM 0 H LYS A 28 -4.933 -9.548 14.648 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.016 -11.678 12.779 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.602 -11.646 14.800 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.034 -11.825 15.794 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.485 -13.892 14.110 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.742 -13.819 13.944 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.211 -15.351 15.755 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.554 -13.896 16.477 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.430 -13.592 16.248 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.092 -15.137 17.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.224 -13.375 18.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.651 -14.015 18.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.978 -12.517 17.864 1.00 0.00 H new ATOM 465 N GLN A 29 -6.704 -11.178 14.568 1.00 0.00 N ATOM 466 CA GLN A 29 -8.119 -11.498 14.663 1.00 0.00 C ATOM 467 C GLN A 29 -8.874 -10.923 13.463 1.00 0.00 C ATOM 468 O GLN A 29 -9.396 -11.670 12.637 1.00 0.00 O ATOM 469 CB GLN A 29 -8.709 -10.988 15.978 1.00 0.00 C ATOM 470 CG GLN A 29 -7.789 -11.315 17.156 1.00 0.00 C ATOM 471 CD GLN A 29 -7.725 -10.148 18.143 1.00 0.00 C ATOM 472 OE1 GLN A 29 -6.599 -9.442 18.073 1.00 0.00 O flip ATOM 473 NE2 GLN A 29 -8.636 -9.904 18.916 1.00 0.00 N flip ATOM 0 H GLN A 29 -6.389 -10.442 15.201 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.229 -12.582 14.651 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.861 -9.910 15.919 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.688 -11.439 16.141 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.150 -12.208 17.666 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.788 -11.540 16.788 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.473 -10.486 18.918 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.561 -9.117 19.561 1.00 0.00 H new ATOM 482 N TRP A 30 -8.909 -9.600 13.405 1.00 0.00 N ATOM 483 CA TRP A 30 -9.592 -8.916 12.320 1.00 0.00 C ATOM 484 C TRP A 30 -11.094 -9.160 12.479 1.00 0.00 C ATOM 485 O TRP A 30 -11.893 -8.676 11.679 1.00 0.00 O ATOM 486 CB TRP A 30 -9.054 -9.368 10.962 1.00 0.00 C ATOM 487 CG TRP A 30 -7.884 -8.528 10.445 1.00 0.00 C ATOM 488 CD1 TRP A 30 -6.590 -8.871 10.375 1.00 0.00 C ATOM 489 CD2 TRP A 30 -7.953 -7.183 9.927 1.00 0.00 C ATOM 490 NE1 TRP A 30 -5.824 -7.849 9.851 1.00 0.00 N ATOM 491 CE2 TRP A 30 -6.680 -6.790 9.570 1.00 0.00 C ATOM 492 CE3 TRP A 30 -9.057 -6.327 9.765 1.00 0.00 C ATOM 493 CZ2 TRP A 30 -6.389 -5.532 9.029 1.00 0.00 C ATOM 494 CZ3 TRP A 30 -8.749 -5.073 9.223 1.00 0.00 C ATOM 495 CH2 TRP A 30 -7.472 -4.662 8.859 1.00 0.00 C ATOM 0 H TRP A 30 -8.475 -8.983 14.092 1.00 0.00 H new ATOM 0 HA TRP A 30 -9.407 -7.843 12.364 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -8.736 -10.408 11.037 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -9.863 -9.333 10.232 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -6.196 -9.826 10.689 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.816 -7.867 9.698 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -10.062 -6.614 10.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.383 -5.248 8.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -9.561 -4.376 9.078 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -7.316 -3.676 8.447 1.00 0.00 H new ATOM 506 N THR A 31 -11.433 -9.910 13.517 1.00 0.00 N ATOM 507 CA THR A 31 -12.825 -10.224 13.791 1.00 0.00 C ATOM 508 C THR A 31 -13.532 -9.018 14.411 1.00 0.00 C ATOM 509 O THR A 31 -14.688 -8.741 14.096 1.00 0.00 O ATOM 510 CB THR A 31 -12.863 -11.472 14.676 1.00 0.00 C ATOM 511 OG1 THR A 31 -13.678 -12.388 13.950 1.00 0.00 O ATOM 512 CG2 THR A 31 -13.631 -11.242 15.980 1.00 0.00 C ATOM 0 H THR A 31 -10.768 -10.310 14.179 1.00 0.00 H new ATOM 0 HA THR A 31 -13.369 -10.443 12.872 1.00 0.00 H new ATOM 0 HB THR A 31 -11.845 -11.786 14.905 1.00 0.00 H new ATOM 0 HG1 THR A 31 -13.755 -13.226 14.452 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.628 -12.158 16.571 1.00 0.00 H new ATOM 0 HG22 THR A 31 -13.154 -10.443 16.547 1.00 0.00 H new ATOM 0 HG23 THR A 31 -14.659 -10.961 15.752 1.00 0.00 H new ATOM 520 N LEU A 32 -12.807 -8.331 15.282 1.00 0.00 N ATOM 521 CA LEU A 32 -13.350 -7.160 15.950 1.00 0.00 C ATOM 522 C LEU A 32 -13.909 -6.195 14.902 1.00 0.00 C ATOM 523 O LEU A 32 -15.021 -5.690 15.049 1.00 0.00 O ATOM 524 CB LEU A 32 -12.300 -6.531 16.868 1.00 0.00 C ATOM 525 CG LEU A 32 -11.304 -5.584 16.197 1.00 0.00 C ATOM 526 CD1 LEU A 32 -11.941 -4.219 15.929 1.00 0.00 C ATOM 527 CD2 LEU A 32 -10.020 -5.465 17.021 1.00 0.00 C ATOM 0 H LEU A 32 -11.848 -8.563 15.541 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.179 -7.442 16.600 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.817 -5.984 17.657 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.741 -7.333 17.350 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.029 -6.007 15.231 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.212 -3.565 15.452 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.803 -4.342 15.273 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.263 -3.776 16.872 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.329 -4.786 16.522 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.258 -5.077 18.011 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.557 -6.447 17.118 1.00 0.00 H new ATOM 539 N ILE A 33 -13.111 -5.967 13.869 1.00 0.00 N ATOM 540 CA ILE A 33 -13.512 -5.071 12.798 1.00 0.00 C ATOM 541 C ILE A 33 -14.865 -5.520 12.243 1.00 0.00 C ATOM 542 O ILE A 33 -15.708 -4.689 11.905 1.00 0.00 O ATOM 543 CB ILE A 33 -12.413 -4.979 11.737 1.00 0.00 C ATOM 544 CG1 ILE A 33 -11.153 -4.325 12.309 1.00 0.00 C ATOM 545 CG2 ILE A 33 -12.917 -4.256 10.486 1.00 0.00 C ATOM 546 CD1 ILE A 33 -10.188 -5.378 12.857 1.00 0.00 C ATOM 0 H ILE A 33 -12.189 -6.387 13.751 1.00 0.00 H new ATOM 0 HA ILE A 33 -13.643 -4.058 13.178 1.00 0.00 H new ATOM 0 HB ILE A 33 -12.143 -5.991 11.436 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -10.658 -3.742 11.533 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -11.428 -3.631 13.103 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -12.116 -4.204 9.748 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -13.762 -4.801 10.066 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -13.232 -3.247 10.751 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.302 -4.886 13.257 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -10.678 -5.943 13.650 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.896 -6.056 12.055 1.00 0.00 H new ATOM 558 N ALA A 34 -15.032 -6.832 12.166 1.00 0.00 N ATOM 559 CA ALA A 34 -16.269 -7.401 11.659 1.00 0.00 C ATOM 560 C ALA A 34 -17.199 -7.717 12.831 1.00 0.00 C ATOM 561 O ALA A 34 -18.220 -8.380 12.657 1.00 0.00 O ATOM 562 CB ALA A 34 -15.954 -8.637 10.814 1.00 0.00 C ATOM 0 H ALA A 34 -14.331 -7.518 12.446 1.00 0.00 H new ATOM 0 HA ALA A 34 -16.783 -6.688 11.014 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -16.882 -9.064 10.434 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -15.316 -8.353 9.977 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -15.440 -9.376 11.428 1.00 0.00 H new ATOM 568 N LYS A 35 -16.812 -7.228 14.000 1.00 0.00 N ATOM 569 CA LYS A 35 -17.599 -7.451 15.202 1.00 0.00 C ATOM 570 C LYS A 35 -18.078 -6.105 15.749 1.00 0.00 C ATOM 571 O LYS A 35 -19.228 -5.974 16.165 1.00 0.00 O ATOM 572 CB LYS A 35 -16.807 -8.280 16.215 1.00 0.00 C ATOM 573 CG LYS A 35 -17.745 -9.022 17.169 1.00 0.00 C ATOM 574 CD LYS A 35 -17.873 -8.279 18.500 1.00 0.00 C ATOM 575 CE LYS A 35 -16.653 -8.531 19.388 1.00 0.00 C ATOM 576 NZ LYS A 35 -16.565 -9.962 19.754 1.00 0.00 N ATOM 0 H LYS A 35 -15.964 -6.678 14.141 1.00 0.00 H new ATOM 0 HA LYS A 35 -18.489 -8.037 14.972 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -16.176 -8.997 15.690 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -16.144 -7.629 16.784 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -18.728 -9.126 16.710 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -17.368 -10.029 17.345 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.978 -7.210 18.315 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -18.776 -8.604 19.016 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.746 -8.227 18.865 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.720 -7.922 20.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.023 -10.062 20.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.522 -10.345 19.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.087 -10.486 18.993 1.00 0.00 H new ATOM 590 N HIS A 36 -17.172 -5.138 15.730 1.00 0.00 N ATOM 591 CA HIS A 36 -17.488 -3.807 16.220 1.00 0.00 C ATOM 592 C HIS A 36 -18.168 -3.001 15.111 1.00 0.00 C ATOM 593 O HIS A 36 -18.492 -1.829 15.300 1.00 0.00 O ATOM 594 CB HIS A 36 -16.237 -3.120 16.770 1.00 0.00 C ATOM 595 CG HIS A 36 -15.529 -3.904 17.849 1.00 0.00 C ATOM 596 ND1 HIS A 36 -15.152 -3.346 19.058 1.00 0.00 N ATOM 597 CD2 HIS A 36 -15.135 -5.210 17.889 1.00 0.00 C ATOM 598 CE1 HIS A 36 -14.558 -4.281 19.784 1.00 0.00 C ATOM 599 NE2 HIS A 36 -14.548 -5.436 19.057 1.00 0.00 N ATOM 0 H HIS A 36 -16.219 -5.250 15.383 1.00 0.00 H new ATOM 0 HA HIS A 36 -18.188 -3.878 17.052 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -15.542 -2.942 15.949 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -16.516 -2.144 17.168 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -15.277 -5.937 17.103 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -14.153 -4.152 20.777 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -14.154 -6.326 19.362 1.00 0.00 H new ATOM 607 N LEU A 37 -18.364 -3.661 13.979 1.00 0.00 N ATOM 608 CA LEU A 37 -19.000 -3.020 12.840 1.00 0.00 C ATOM 609 C LEU A 37 -19.932 -4.020 12.153 1.00 0.00 C ATOM 610 O LEU A 37 -19.618 -5.206 12.063 1.00 0.00 O ATOM 611 CB LEU A 37 -17.947 -2.419 11.907 1.00 0.00 C ATOM 612 CG LEU A 37 -16.574 -2.153 12.528 1.00 0.00 C ATOM 613 CD1 LEU A 37 -15.496 -2.042 11.448 1.00 0.00 C ATOM 614 CD2 LEU A 37 -16.611 -0.918 13.430 1.00 0.00 C ATOM 0 H LEU A 37 -18.094 -4.633 13.826 1.00 0.00 H new ATOM 0 HA LEU A 37 -19.616 -2.183 13.168 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -17.816 -3.091 11.059 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -18.334 -1.479 11.513 1.00 0.00 H new ATOM 0 HG LEU A 37 -16.313 -3.004 13.157 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.530 -1.853 11.916 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -15.449 -2.973 10.883 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -15.739 -1.221 10.774 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -15.623 -0.751 13.859 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -16.904 -0.047 12.843 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -17.333 -1.074 14.232 1.00 0.00 H new ATOM 626 N LYS A 38 -21.060 -3.505 11.685 1.00 0.00 N ATOM 627 CA LYS A 38 -22.039 -4.338 11.009 1.00 0.00 C ATOM 628 C LYS A 38 -22.866 -5.095 12.051 1.00 0.00 C ATOM 629 O LYS A 38 -22.327 -5.573 13.047 1.00 0.00 O ATOM 630 CB LYS A 38 -21.354 -5.249 9.988 1.00 0.00 C ATOM 631 CG LYS A 38 -21.746 -4.864 8.560 1.00 0.00 C ATOM 632 CD LYS A 38 -23.242 -4.556 8.466 1.00 0.00 C ATOM 633 CE LYS A 38 -23.810 -5.002 7.117 1.00 0.00 C ATOM 634 NZ LYS A 38 -23.670 -3.924 6.114 1.00 0.00 N ATOM 0 H LYS A 38 -21.317 -2.521 11.761 1.00 0.00 H new ATOM 0 HA LYS A 38 -22.733 -3.722 10.437 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -20.272 -5.181 10.103 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -21.630 -6.286 10.178 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -21.171 -3.994 8.243 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -21.495 -5.677 7.878 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -23.772 -5.062 9.273 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -23.406 -3.486 8.598 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -23.289 -5.896 6.774 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -24.861 -5.269 7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -24.060 -4.243 5.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -24.187 -3.081 6.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -22.664 -3.689 5.995 1.00 0.00 H new ATOM 648 N GLY A 39 -24.161 -5.179 11.784 1.00 0.00 N ATOM 649 CA GLY A 39 -25.067 -5.869 12.686 1.00 0.00 C ATOM 650 C GLY A 39 -24.437 -7.160 13.215 1.00 0.00 C ATOM 651 O GLY A 39 -24.782 -7.623 14.300 1.00 0.00 O ATOM 0 H GLY A 39 -24.604 -4.781 10.956 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -25.322 -5.216 13.521 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -25.997 -6.100 12.166 1.00 0.00 H new ATOM 655 N ARG A 40 -23.525 -7.703 12.422 1.00 0.00 N ATOM 656 CA ARG A 40 -22.844 -8.931 12.797 1.00 0.00 C ATOM 657 C ARG A 40 -21.681 -9.205 11.841 1.00 0.00 C ATOM 658 O ARG A 40 -20.552 -9.423 12.278 1.00 0.00 O ATOM 659 CB ARG A 40 -23.804 -10.121 12.776 1.00 0.00 C ATOM 660 CG ARG A 40 -23.043 -11.442 12.911 1.00 0.00 C ATOM 661 CD ARG A 40 -23.745 -12.382 13.893 1.00 0.00 C ATOM 662 NE ARG A 40 -24.122 -13.639 13.210 1.00 0.00 N ATOM 663 CZ ARG A 40 -23.252 -14.602 12.874 1.00 0.00 C ATOM 664 NH1 ARG A 40 -21.950 -14.457 13.157 1.00 0.00 N ATOM 665 NH2 ARG A 40 -23.684 -15.709 12.256 1.00 0.00 N ATOM 0 H ARG A 40 -23.242 -7.316 11.522 1.00 0.00 H new ATOM 0 HA ARG A 40 -22.464 -8.804 13.811 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -24.523 -10.027 13.589 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -24.372 -10.118 11.846 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -22.965 -11.922 11.935 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -22.026 -11.247 13.253 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -23.087 -12.599 14.735 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -24.634 -11.899 14.299 1.00 0.00 H new ATOM 0 HE ARG A 40 -25.105 -13.782 12.980 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -21.621 -13.614 13.628 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -21.288 -15.190 12.901 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -24.675 -15.819 12.041 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -23.022 -16.442 12.000 1.00 0.00 H new ATOM 679 N LEU A 41 -21.997 -9.186 10.554 1.00 0.00 N ATOM 680 CA LEU A 41 -20.993 -9.431 9.533 1.00 0.00 C ATOM 681 C LEU A 41 -19.940 -8.322 9.584 1.00 0.00 C ATOM 682 O LEU A 41 -19.919 -7.523 10.519 1.00 0.00 O ATOM 683 CB LEU A 41 -21.652 -9.591 8.161 1.00 0.00 C ATOM 684 CG LEU A 41 -22.007 -11.022 7.751 1.00 0.00 C ATOM 685 CD1 LEU A 41 -20.754 -11.807 7.360 1.00 0.00 C ATOM 686 CD2 LEU A 41 -22.805 -11.725 8.851 1.00 0.00 C ATOM 0 H LEU A 41 -22.934 -9.005 10.195 1.00 0.00 H new ATOM 0 HA LEU A 41 -20.476 -10.371 9.724 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -22.563 -8.993 8.145 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -20.984 -9.173 7.408 1.00 0.00 H new ATOM 0 HG LEU A 41 -22.646 -10.977 6.869 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -21.034 -12.820 7.073 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -20.263 -11.315 6.520 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -20.070 -11.846 8.208 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -23.045 -12.740 8.535 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -22.212 -11.760 9.765 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -23.728 -11.176 9.038 1.00 0.00 H new ATOM 698 N GLY A 42 -19.091 -8.309 8.567 1.00 0.00 N ATOM 699 CA GLY A 42 -18.038 -7.312 8.484 1.00 0.00 C ATOM 700 C GLY A 42 -17.310 -7.393 7.140 1.00 0.00 C ATOM 701 O GLY A 42 -16.120 -7.096 7.056 1.00 0.00 O ATOM 0 H GLY A 42 -19.111 -8.973 7.793 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -18.464 -6.317 8.611 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -17.327 -7.461 9.296 1.00 0.00 H new ATOM 705 N LYS A 43 -18.057 -7.798 6.123 1.00 0.00 N ATOM 706 CA LYS A 43 -17.497 -7.922 4.787 1.00 0.00 C ATOM 707 C LYS A 43 -16.551 -6.749 4.524 1.00 0.00 C ATOM 708 O LYS A 43 -15.588 -6.881 3.771 1.00 0.00 O ATOM 709 CB LYS A 43 -18.613 -8.057 3.750 1.00 0.00 C ATOM 710 CG LYS A 43 -18.050 -8.004 2.328 1.00 0.00 C ATOM 711 CD LYS A 43 -17.540 -9.378 1.889 1.00 0.00 C ATOM 712 CE LYS A 43 -16.716 -9.272 0.604 1.00 0.00 C ATOM 713 NZ LYS A 43 -17.151 -10.291 -0.377 1.00 0.00 N ATOM 0 H LYS A 43 -19.044 -8.044 6.197 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.905 -8.833 4.705 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -19.142 -8.998 3.901 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -19.340 -7.257 3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -18.823 -7.662 1.640 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -17.238 -7.279 2.281 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -16.931 -9.814 2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -18.384 -10.049 1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.826 -8.276 0.175 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.658 -9.406 0.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.581 -10.205 -1.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -17.023 -11.240 0.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -18.155 -10.145 -0.607 1.00 0.00 H new ATOM 727 N GLN A 44 -16.860 -5.628 5.159 1.00 0.00 N ATOM 728 CA GLN A 44 -16.049 -4.432 5.003 1.00 0.00 C ATOM 729 C GLN A 44 -14.839 -4.485 5.938 1.00 0.00 C ATOM 730 O GLN A 44 -14.638 -3.584 6.751 1.00 0.00 O ATOM 731 CB GLN A 44 -16.879 -3.171 5.251 1.00 0.00 C ATOM 732 CG GLN A 44 -16.424 -2.028 4.341 1.00 0.00 C ATOM 733 CD GLN A 44 -17.113 -0.716 4.723 1.00 0.00 C ATOM 734 OE1 GLN A 44 -18.028 -0.677 5.529 1.00 0.00 O ATOM 735 NE2 GLN A 44 -16.623 0.353 4.102 1.00 0.00 N ATOM 0 H GLN A 44 -17.660 -5.522 5.782 1.00 0.00 H new ATOM 0 HA GLN A 44 -15.688 -4.393 3.975 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -17.933 -3.384 5.074 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -16.786 -2.869 6.294 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -15.343 -1.910 4.413 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -16.650 -2.273 3.303 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -15.855 0.250 3.438 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -17.015 1.276 4.290 1.00 0.00 H new ATOM 744 N CYS A 45 -14.064 -5.550 5.791 1.00 0.00 N ATOM 745 CA CYS A 45 -12.880 -5.732 6.612 1.00 0.00 C ATOM 746 C CYS A 45 -11.697 -5.069 5.903 1.00 0.00 C ATOM 747 O CYS A 45 -11.772 -4.768 4.713 1.00 0.00 O ATOM 748 CB CYS A 45 -12.615 -7.211 6.902 1.00 0.00 C ATOM 749 SG CYS A 45 -12.287 -7.450 8.687 1.00 0.00 S ATOM 0 H CYS A 45 -14.233 -6.295 5.115 1.00 0.00 H new ATOM 0 HA CYS A 45 -13.031 -5.260 7.583 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -13.474 -7.809 6.598 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.763 -7.558 6.318 1.00 0.00 H new ATOM 0 HG CYS A 45 -12.065 -8.709 8.923 1.00 0.00 H new ATOM 755 N ARG A 46 -10.633 -4.862 6.665 1.00 0.00 N ATOM 756 CA ARG A 46 -9.436 -4.240 6.124 1.00 0.00 C ATOM 757 C ARG A 46 -9.811 -3.161 5.106 1.00 0.00 C ATOM 758 O ARG A 46 -9.944 -3.445 3.917 1.00 0.00 O ATOM 759 CB ARG A 46 -8.533 -5.275 5.450 1.00 0.00 C ATOM 760 CG ARG A 46 -8.312 -6.485 6.361 1.00 0.00 C ATOM 761 CD ARG A 46 -7.811 -7.689 5.561 1.00 0.00 C ATOM 762 NE ARG A 46 -8.787 -8.797 5.650 1.00 0.00 N ATOM 763 CZ ARG A 46 -9.818 -8.960 4.809 1.00 0.00 C ATOM 764 NH1 ARG A 46 -10.013 -8.086 3.812 1.00 0.00 N ATOM 765 NH2 ARG A 46 -10.654 -9.995 4.965 1.00 0.00 N ATOM 0 H ARG A 46 -10.575 -5.114 7.652 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.894 -3.788 6.955 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.983 -5.599 4.511 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.573 -4.820 5.204 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.589 -6.233 7.137 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.244 -6.741 6.865 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.662 -7.407 4.519 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.844 -8.014 5.944 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.668 -9.480 6.398 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.377 -7.297 3.693 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.797 -8.209 3.172 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.506 -10.660 5.724 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.438 -10.118 4.325 1.00 0.00 H new ATOM 779 N GLU A 47 -9.973 -1.947 5.611 1.00 0.00 N ATOM 780 CA GLU A 47 -10.330 -0.825 4.760 1.00 0.00 C ATOM 781 C GLU A 47 -10.156 0.493 5.518 1.00 0.00 C ATOM 782 O GLU A 47 -11.087 1.292 5.604 1.00 0.00 O ATOM 783 CB GLU A 47 -11.760 -0.969 4.234 1.00 0.00 C ATOM 784 CG GLU A 47 -11.764 -1.272 2.734 1.00 0.00 C ATOM 785 CD GLU A 47 -12.993 -0.663 2.055 1.00 0.00 C ATOM 786 OE1 GLU A 47 -14.107 -0.928 2.556 1.00 0.00 O ATOM 787 OE2 GLU A 47 -12.790 0.053 1.051 1.00 0.00 O ATOM 0 H GLU A 47 -9.864 -1.716 6.598 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.660 -0.819 3.900 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.270 -1.768 4.772 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.316 -0.051 4.425 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.858 -0.875 2.277 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.754 -2.351 2.577 1.00 0.00 H new ATOM 794 N ARG A 48 -8.956 0.679 6.049 1.00 0.00 N ATOM 795 CA ARG A 48 -8.648 1.885 6.797 1.00 0.00 C ATOM 796 C ARG A 48 -7.145 2.167 6.755 1.00 0.00 C ATOM 797 O ARG A 48 -6.728 3.304 6.540 1.00 0.00 O ATOM 798 CB ARG A 48 -9.095 1.759 8.255 1.00 0.00 C ATOM 799 CG ARG A 48 -9.359 3.136 8.869 1.00 0.00 C ATOM 800 CD ARG A 48 -10.798 3.586 8.610 1.00 0.00 C ATOM 801 NE ARG A 48 -10.816 4.670 7.603 1.00 0.00 N ATOM 802 CZ ARG A 48 -10.386 5.918 7.836 1.00 0.00 C ATOM 803 NH1 ARG A 48 -9.903 6.247 9.041 1.00 0.00 N ATOM 804 NH2 ARG A 48 -10.440 6.838 6.862 1.00 0.00 N ATOM 0 H ARG A 48 -8.186 0.014 5.976 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.189 2.709 6.333 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.999 1.153 8.311 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.328 1.241 8.831 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -9.173 3.101 9.942 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -8.665 3.864 8.449 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.394 2.743 8.260 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.252 3.933 9.538 1.00 0.00 H new ATOM 0 HE ARG A 48 -11.178 4.454 6.674 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.862 5.548 9.782 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -9.576 7.197 9.217 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.808 6.588 5.944 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -10.113 7.788 7.039 1.00 0.00 H new ATOM 818 N TRP A 49 -6.371 1.111 6.963 1.00 0.00 N ATOM 819 CA TRP A 49 -4.923 1.230 6.952 1.00 0.00 C ATOM 820 C TRP A 49 -4.380 0.291 5.873 1.00 0.00 C ATOM 821 O TRP A 49 -3.190 0.316 5.564 1.00 0.00 O ATOM 822 CB TRP A 49 -4.339 0.949 8.337 1.00 0.00 C ATOM 823 CG TRP A 49 -5.252 0.119 9.242 1.00 0.00 C ATOM 824 CD1 TRP A 49 -5.976 -0.960 8.916 1.00 0.00 C ATOM 825 CD2 TRP A 49 -5.512 0.347 10.643 1.00 0.00 C ATOM 826 NE1 TRP A 49 -6.681 -1.443 10.000 1.00 0.00 N ATOM 827 CE2 TRP A 49 -6.389 -0.623 11.084 1.00 0.00 C ATOM 828 CE3 TRP A 49 -5.021 1.339 11.510 1.00 0.00 C ATOM 829 CZ2 TRP A 49 -6.852 -0.696 12.403 1.00 0.00 C ATOM 830 CZ3 TRP A 49 -5.494 1.253 12.825 1.00 0.00 C ATOM 831 CH2 TRP A 49 -6.377 0.283 13.284 1.00 0.00 C ATOM 0 H TRP A 49 -6.720 0.169 7.140 1.00 0.00 H new ATOM 0 HA TRP A 49 -4.622 2.249 6.711 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -3.389 0.427 8.220 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -4.123 1.898 8.828 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -6.004 -1.397 7.929 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.302 -2.252 10.005 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.333 2.107 11.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -7.538 -1.466 12.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.148 1.992 13.532 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -6.695 0.284 14.316 1.00 0.00 H new ATOM 842 N HIS A 50 -5.280 -0.515 5.328 1.00 0.00 N ATOM 843 CA HIS A 50 -4.906 -1.461 4.290 1.00 0.00 C ATOM 844 C HIS A 50 -4.832 -0.740 2.942 1.00 0.00 C ATOM 845 O HIS A 50 -3.811 -0.798 2.258 1.00 0.00 O ATOM 846 CB HIS A 50 -5.863 -2.654 4.272 1.00 0.00 C ATOM 847 CG HIS A 50 -5.455 -3.754 3.320 1.00 0.00 C ATOM 848 ND1 HIS A 50 -5.651 -3.672 1.952 1.00 0.00 N ATOM 849 CD2 HIS A 50 -4.861 -4.959 3.553 1.00 0.00 C ATOM 850 CE1 HIS A 50 -5.192 -4.784 1.397 1.00 0.00 C ATOM 851 NE2 HIS A 50 -4.703 -5.581 2.391 1.00 0.00 N ATOM 0 H HIS A 50 -6.267 -0.532 5.586 1.00 0.00 H new ATOM 0 HA HIS A 50 -3.917 -1.866 4.501 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -5.933 -3.066 5.279 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -6.859 -2.304 4.001 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.569 -5.342 4.519 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -5.203 -5.019 0.343 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -4.285 -6.503 2.262 1.00 0.00 H new ATOM 859 N ASN A 51 -5.927 -0.077 2.601 1.00 0.00 N ATOM 860 CA ASN A 51 -5.999 0.654 1.347 1.00 0.00 C ATOM 861 C ASN A 51 -5.957 2.156 1.635 1.00 0.00 C ATOM 862 O ASN A 51 -6.989 2.825 1.618 1.00 0.00 O ATOM 863 CB ASN A 51 -7.303 0.351 0.607 1.00 0.00 C ATOM 864 CG ASN A 51 -7.620 -1.145 0.645 1.00 0.00 C ATOM 865 OD1 ASN A 51 -8.110 -1.565 1.808 1.00 0.00 O flip ATOM 866 ND2 ASN A 51 -7.433 -1.870 -0.318 1.00 0.00 N flip ATOM 0 H ASN A 51 -6.772 -0.031 3.171 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.155 0.348 0.729 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.121 0.911 1.060 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.224 0.683 -0.428 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.054 -1.483 -1.182 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.656 -2.864 -0.259 1.00 0.00 H new ATOM 873 N HIS A 52 -4.752 2.643 1.892 1.00 0.00 N ATOM 874 CA HIS A 52 -4.561 4.054 2.183 1.00 0.00 C ATOM 875 C HIS A 52 -3.172 4.492 1.713 1.00 0.00 C ATOM 876 O HIS A 52 -3.049 5.379 0.870 1.00 0.00 O ATOM 877 CB HIS A 52 -4.803 4.341 3.666 1.00 0.00 C ATOM 878 CG HIS A 52 -6.262 4.439 4.043 1.00 0.00 C ATOM 879 ND1 HIS A 52 -7.242 3.491 4.069 1.00 0.00 N flip ATOM 880 CD2 HIS A 52 -6.852 5.623 4.450 1.00 0.00 C flip ATOM 881 CE1 HIS A 52 -8.369 4.064 4.471 1.00 0.00 C flip ATOM 882 NE2 HIS A 52 -8.130 5.386 4.708 1.00 0.00 N flip ATOM 0 H HIS A 52 -3.898 2.086 1.905 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.295 4.644 1.634 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -4.337 3.553 4.259 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -4.307 5.275 3.930 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -6.355 6.578 4.542 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -9.320 3.566 4.591 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -8.815 6.071 5.028 1.00 0.00 H new ATOM 890 N LEU A 53 -2.162 3.849 2.279 1.00 0.00 N ATOM 891 CA LEU A 53 -0.786 4.161 1.929 1.00 0.00 C ATOM 892 C LEU A 53 -0.310 3.196 0.841 1.00 0.00 C ATOM 893 O LEU A 53 -0.226 3.566 -0.328 1.00 0.00 O ATOM 894 CB LEU A 53 0.097 4.164 3.178 1.00 0.00 C ATOM 895 CG LEU A 53 1.085 5.326 3.298 1.00 0.00 C ATOM 896 CD1 LEU A 53 2.060 5.341 2.120 1.00 0.00 C ATOM 897 CD2 LEU A 53 0.348 6.659 3.449 1.00 0.00 C ATOM 0 H LEU A 53 -2.268 3.113 2.978 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.717 5.167 1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.549 4.171 4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.660 3.231 3.203 1.00 0.00 H new ATOM 0 HG LEU A 53 1.675 5.180 4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.751 6.177 2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.621 4.407 2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.504 5.450 1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.073 7.468 3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.284 6.826 2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.271 6.633 4.346 1.00 0.00 H new ATOM 909 N ASN A 54 -0.011 1.977 1.266 1.00 0.00 N ATOM 910 CA ASN A 54 0.454 0.956 0.343 1.00 0.00 C ATOM 911 C ASN A 54 1.442 1.580 -0.645 1.00 0.00 C ATOM 912 O ASN A 54 1.121 1.761 -1.818 1.00 0.00 O ATOM 913 CB ASN A 54 -0.708 0.368 -0.459 1.00 0.00 C ATOM 914 CG ASN A 54 -0.196 -0.503 -1.608 1.00 0.00 C ATOM 915 OD1 ASN A 54 -0.142 -0.093 -2.756 1.00 0.00 O ATOM 916 ND2 ASN A 54 0.176 -1.725 -1.237 1.00 0.00 N ATOM 0 H ASN A 54 -0.082 1.674 2.237 1.00 0.00 H new ATOM 0 HA ASN A 54 0.927 0.165 0.925 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.344 -0.226 0.197 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.325 1.174 -0.856 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.532 -2.382 -1.931 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.105 -2.005 -0.259 1.00 0.00 H new ATOM 923 N PRO A 55 2.655 1.900 -0.120 1.00 0.00 N ATOM 924 CA PRO A 55 3.692 2.500 -0.942 1.00 0.00 C ATOM 925 C PRO A 55 4.328 1.460 -1.867 1.00 0.00 C ATOM 926 O PRO A 55 3.719 0.433 -2.164 1.00 0.00 O ATOM 927 CB PRO A 55 4.680 3.099 0.045 1.00 0.00 C ATOM 928 CG PRO A 55 4.407 2.416 1.375 1.00 0.00 C ATOM 929 CD PRO A 55 3.070 1.700 1.266 1.00 0.00 C ATOM 0 HA PRO A 55 3.305 3.267 -1.613 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.707 2.928 -0.278 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.546 4.178 0.125 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.201 1.708 1.610 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.383 3.148 2.182 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.168 0.640 1.501 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.341 2.115 1.962 1.00 0.00 H new ATOM 937 N GLU A 56 5.545 1.762 -2.297 1.00 0.00 N ATOM 938 CA GLU A 56 6.270 0.867 -3.182 1.00 0.00 C ATOM 939 C GLU A 56 7.744 0.801 -2.779 1.00 0.00 C ATOM 940 O GLU A 56 8.130 1.326 -1.736 1.00 0.00 O ATOM 941 CB GLU A 56 6.119 1.298 -4.642 1.00 0.00 C ATOM 942 CG GLU A 56 5.565 0.156 -5.496 1.00 0.00 C ATOM 943 CD GLU A 56 5.456 0.573 -6.965 1.00 0.00 C ATOM 944 OE1 GLU A 56 6.359 1.312 -7.413 1.00 0.00 O ATOM 945 OE2 GLU A 56 4.472 0.144 -7.605 1.00 0.00 O ATOM 0 H GLU A 56 6.047 2.615 -2.048 1.00 0.00 H new ATOM 0 HA GLU A 56 5.843 -0.131 -3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.453 2.159 -4.704 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.086 1.614 -5.034 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.213 -0.716 -5.409 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.584 -0.138 -5.124 1.00 0.00 H new ATOM 952 N VAL A 57 8.528 0.153 -3.627 1.00 0.00 N ATOM 953 CA VAL A 57 9.952 0.012 -3.373 1.00 0.00 C ATOM 954 C VAL A 57 10.663 1.314 -3.745 1.00 0.00 C ATOM 955 O VAL A 57 11.864 1.456 -3.519 1.00 0.00 O ATOM 956 CB VAL A 57 10.500 -1.204 -4.123 1.00 0.00 C ATOM 957 CG1 VAL A 57 11.968 -0.999 -4.500 1.00 0.00 C ATOM 958 CG2 VAL A 57 10.318 -2.482 -3.302 1.00 0.00 C ATOM 0 H VAL A 57 8.204 -0.281 -4.492 1.00 0.00 H new ATOM 0 HA VAL A 57 10.135 -0.167 -2.314 1.00 0.00 H new ATOM 0 HB VAL A 57 9.929 -1.314 -5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 57 12.333 -1.878 -5.032 1.00 0.00 H new ATOM 0 HG12 VAL A 57 12.060 -0.122 -5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 57 12.559 -0.851 -3.596 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.716 -3.331 -3.858 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.851 -2.386 -2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 57 9.258 -2.641 -3.107 1.00 0.00 H new ATOM 968 N LYS A 58 9.892 2.232 -4.310 1.00 0.00 N ATOM 969 CA LYS A 58 10.434 3.518 -4.715 1.00 0.00 C ATOM 970 C LYS A 58 9.433 4.220 -5.635 1.00 0.00 C ATOM 971 O LYS A 58 8.500 3.595 -6.137 1.00 0.00 O ATOM 972 CB LYS A 58 11.821 3.343 -5.336 1.00 0.00 C ATOM 973 CG LYS A 58 12.909 3.891 -4.409 1.00 0.00 C ATOM 974 CD LYS A 58 14.302 3.629 -4.984 1.00 0.00 C ATOM 975 CE LYS A 58 15.311 4.657 -4.469 1.00 0.00 C ATOM 976 NZ LYS A 58 16.195 5.111 -5.565 1.00 0.00 N ATOM 0 H LYS A 58 8.897 2.111 -4.497 1.00 0.00 H new ATOM 0 HA LYS A 58 10.578 4.162 -3.847 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.004 2.287 -5.534 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.862 3.859 -6.295 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.766 4.962 -4.268 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.824 3.426 -3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.629 2.626 -4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.263 3.667 -6.073 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.784 5.510 -4.042 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.909 4.219 -3.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.873 5.808 -5.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.712 4.297 -5.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.622 5.548 -6.315 1.00 0.00 H new ATOM 990 N LYS A 59 9.661 5.511 -5.829 1.00 0.00 N ATOM 991 CA LYS A 59 8.791 6.305 -6.679 1.00 0.00 C ATOM 992 C LYS A 59 9.373 6.354 -8.093 1.00 0.00 C ATOM 993 O LYS A 59 8.741 6.873 -9.012 1.00 0.00 O ATOM 994 CB LYS A 59 8.555 7.686 -6.064 1.00 0.00 C ATOM 995 CG LYS A 59 9.866 8.294 -5.561 1.00 0.00 C ATOM 996 CD LYS A 59 10.017 8.098 -4.051 1.00 0.00 C ATOM 997 CE LYS A 59 10.589 9.353 -3.390 1.00 0.00 C ATOM 998 NZ LYS A 59 12.049 9.214 -3.190 1.00 0.00 N ATOM 0 H LYS A 59 10.436 6.027 -5.412 1.00 0.00 H new ATOM 0 HA LYS A 59 7.807 5.842 -6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.105 8.346 -6.806 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.848 7.604 -5.239 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.707 7.832 -6.077 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.892 9.358 -5.798 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.047 7.861 -3.613 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.671 7.249 -3.855 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.382 10.225 -4.011 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.099 9.522 -2.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.421 10.075 -2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.239 8.394 -2.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.514 9.075 -4.110 1.00 0.00 H new ATOM 1012 N SER A 60 10.573 5.806 -8.224 1.00 0.00 N ATOM 1013 CA SER A 60 11.248 5.780 -9.511 1.00 0.00 C ATOM 1014 C SER A 60 12.361 4.731 -9.497 1.00 0.00 C ATOM 1015 O SER A 60 13.541 5.073 -9.451 1.00 0.00 O ATOM 1016 CB SER A 60 11.819 7.156 -9.860 1.00 0.00 C ATOM 1017 OG SER A 60 12.670 7.657 -8.833 1.00 0.00 O ATOM 0 H SER A 60 11.095 5.377 -7.460 1.00 0.00 H new ATOM 0 HA SER A 60 10.518 5.515 -10.276 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.378 7.090 -10.794 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.001 7.856 -10.027 1.00 0.00 H new ATOM 0 HG SER A 60 13.367 6.998 -8.635 1.00 0.00 H new ATOM 1023 N SER A 61 11.945 3.473 -9.538 1.00 0.00 N ATOM 1024 CA SER A 61 12.892 2.371 -9.530 1.00 0.00 C ATOM 1025 C SER A 61 12.143 1.038 -9.561 1.00 0.00 C ATOM 1026 O SER A 61 11.041 0.953 -10.100 1.00 0.00 O ATOM 1027 CB SER A 61 13.806 2.439 -8.305 1.00 0.00 C ATOM 1028 OG SER A 61 13.284 1.695 -7.208 1.00 0.00 O ATOM 0 H SER A 61 10.965 3.193 -9.577 1.00 0.00 H new ATOM 0 HA SER A 61 13.517 2.450 -10.420 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.792 2.055 -8.567 1.00 0.00 H new ATOM 0 HB3 SER A 61 13.937 3.479 -8.008 1.00 0.00 H new ATOM 0 HG SER A 61 14.023 1.355 -6.662 1.00 0.00 H new ATOM 1034 N TRP A 62 12.772 0.029 -8.976 1.00 0.00 N ATOM 1035 CA TRP A 62 12.179 -1.297 -8.930 1.00 0.00 C ATOM 1036 C TRP A 62 10.883 -1.207 -8.122 1.00 0.00 C ATOM 1037 O TRP A 62 10.555 -0.151 -7.583 1.00 0.00 O ATOM 1038 CB TRP A 62 13.166 -2.320 -8.363 1.00 0.00 C ATOM 1039 CG TRP A 62 14.499 -2.379 -9.113 1.00 0.00 C ATOM 1040 CD1 TRP A 62 15.627 -1.706 -8.846 1.00 0.00 C ATOM 1041 CD2 TRP A 62 14.799 -3.188 -10.270 1.00 0.00 C ATOM 1042 NE1 TRP A 62 16.627 -2.020 -9.743 1.00 0.00 N ATOM 1043 CE2 TRP A 62 16.108 -2.949 -10.637 1.00 0.00 C ATOM 1044 CE3 TRP A 62 13.991 -4.090 -10.984 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 16.725 -3.575 -11.727 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 14.622 -4.707 -12.071 1.00 0.00 C ATOM 1047 CH2 TRP A 62 15.939 -4.478 -12.453 1.00 0.00 C ATOM 0 H TRP A 62 13.686 0.103 -8.530 1.00 0.00 H new ATOM 0 HA TRP A 62 11.941 -1.648 -9.934 1.00 0.00 H new ATOM 0 HB2 TRP A 62 13.359 -2.082 -7.317 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.704 -3.307 -8.385 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.739 -1.006 -8.031 1.00 0.00 H new ATOM 0 HE1 TRP A 62 17.574 -1.640 -9.749 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.964 -4.291 -10.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.752 -3.372 -11.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 14.045 -5.410 -12.654 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.354 -4.994 -13.306 1.00 0.00 H new ATOM 1058 N THR A 63 10.180 -2.329 -8.064 1.00 0.00 N ATOM 1059 CA THR A 63 8.927 -2.390 -7.332 1.00 0.00 C ATOM 1060 C THR A 63 8.912 -3.605 -6.402 1.00 0.00 C ATOM 1061 O THR A 63 9.949 -4.221 -6.162 1.00 0.00 O ATOM 1062 CB THR A 63 7.784 -2.389 -8.349 1.00 0.00 C ATOM 1063 OG1 THR A 63 8.349 -3.001 -9.506 1.00 0.00 O ATOM 1064 CG2 THR A 63 7.416 -0.979 -8.815 1.00 0.00 C ATOM 0 H THR A 63 10.455 -3.203 -8.512 1.00 0.00 H new ATOM 0 HA THR A 63 8.805 -1.522 -6.684 1.00 0.00 H new ATOM 0 HB THR A 63 6.908 -2.866 -7.911 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.073 -2.506 -10.306 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.600 -1.035 -9.535 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.103 -0.383 -7.958 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.283 -0.513 -9.284 1.00 0.00 H new ATOM 1072 N GLU A 64 7.723 -3.913 -5.903 1.00 0.00 N ATOM 1073 CA GLU A 64 7.559 -5.043 -5.005 1.00 0.00 C ATOM 1074 C GLU A 64 7.618 -6.356 -5.787 1.00 0.00 C ATOM 1075 O GLU A 64 8.646 -7.031 -5.799 1.00 0.00 O ATOM 1076 CB GLU A 64 6.252 -4.932 -4.217 1.00 0.00 C ATOM 1077 CG GLU A 64 6.438 -4.073 -2.965 1.00 0.00 C ATOM 1078 CD GLU A 64 5.896 -4.787 -1.725 1.00 0.00 C ATOM 1079 OE1 GLU A 64 6.019 -6.030 -1.687 1.00 0.00 O ATOM 1080 OE2 GLU A 64 5.372 -4.074 -0.842 1.00 0.00 O ATOM 0 H GLU A 64 6.865 -3.400 -6.104 1.00 0.00 H new ATOM 0 HA GLU A 64 8.379 -5.034 -4.287 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.478 -4.497 -4.849 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.909 -5.927 -3.932 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.496 -3.849 -2.827 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.925 -3.120 -3.094 1.00 0.00 H new ATOM 1087 N GLU A 65 6.501 -6.680 -6.422 1.00 0.00 N ATOM 1088 CA GLU A 65 6.412 -7.901 -7.206 1.00 0.00 C ATOM 1089 C GLU A 65 7.656 -8.060 -8.082 1.00 0.00 C ATOM 1090 O GLU A 65 8.102 -9.178 -8.335 1.00 0.00 O ATOM 1091 CB GLU A 65 5.138 -7.917 -8.053 1.00 0.00 C ATOM 1092 CG GLU A 65 3.891 -7.910 -7.168 1.00 0.00 C ATOM 1093 CD GLU A 65 2.798 -8.808 -7.752 1.00 0.00 C ATOM 1094 OE1 GLU A 65 2.096 -8.325 -8.666 1.00 0.00 O ATOM 1095 OE2 GLU A 65 2.691 -9.957 -7.272 1.00 0.00 O ATOM 0 H GLU A 65 5.650 -6.118 -6.410 1.00 0.00 H new ATOM 0 HA GLU A 65 6.363 -8.748 -6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.125 -7.049 -8.713 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.131 -8.802 -8.690 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.150 -8.252 -6.166 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.516 -6.891 -7.070 1.00 0.00 H new ATOM 1102 N GLU A 66 8.181 -6.926 -8.521 1.00 0.00 N ATOM 1103 CA GLU A 66 9.364 -6.926 -9.364 1.00 0.00 C ATOM 1104 C GLU A 66 10.575 -7.433 -8.579 1.00 0.00 C ATOM 1105 O GLU A 66 11.388 -8.191 -9.105 1.00 0.00 O ATOM 1106 CB GLU A 66 9.628 -5.533 -9.939 1.00 0.00 C ATOM 1107 CG GLU A 66 8.644 -5.210 -11.066 1.00 0.00 C ATOM 1108 CD GLU A 66 9.267 -4.246 -12.078 1.00 0.00 C ATOM 1109 OE1 GLU A 66 10.290 -4.638 -12.681 1.00 0.00 O ATOM 1110 OE2 GLU A 66 8.707 -3.138 -12.226 1.00 0.00 O ATOM 0 H GLU A 66 7.809 -6.000 -8.309 1.00 0.00 H new ATOM 0 HA GLU A 66 9.189 -7.602 -10.201 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.540 -4.787 -9.149 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.649 -5.479 -10.316 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.348 -6.130 -11.570 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.739 -4.769 -10.648 1.00 0.00 H new ATOM 1117 N ASP A 67 10.658 -6.993 -7.332 1.00 0.00 N ATOM 1118 CA ASP A 67 11.756 -7.392 -6.468 1.00 0.00 C ATOM 1119 C ASP A 67 11.743 -8.913 -6.304 1.00 0.00 C ATOM 1120 O ASP A 67 12.753 -9.576 -6.537 1.00 0.00 O ATOM 1121 CB ASP A 67 11.621 -6.765 -5.079 1.00 0.00 C ATOM 1122 CG ASP A 67 12.945 -6.480 -4.367 1.00 0.00 C ATOM 1123 OD1 ASP A 67 13.980 -6.958 -4.880 1.00 0.00 O ATOM 1124 OD2 ASP A 67 12.892 -5.791 -3.325 1.00 0.00 O ATOM 0 H ASP A 67 9.982 -6.364 -6.899 1.00 0.00 H new ATOM 0 HA ASP A 67 12.685 -7.054 -6.926 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.067 -5.831 -5.171 1.00 0.00 H new ATOM 0 HB3 ASP A 67 11.025 -7.429 -4.453 1.00 0.00 H new ATOM 1129 N ARG A 68 10.587 -9.423 -5.903 1.00 0.00 N ATOM 1130 CA ARG A 68 10.429 -10.853 -5.705 1.00 0.00 C ATOM 1131 C ARG A 68 10.821 -11.612 -6.974 1.00 0.00 C ATOM 1132 O ARG A 68 11.756 -12.411 -6.960 1.00 0.00 O ATOM 1133 CB ARG A 68 8.985 -11.202 -5.336 1.00 0.00 C ATOM 1134 CG ARG A 68 8.618 -10.635 -3.963 1.00 0.00 C ATOM 1135 CD ARG A 68 8.906 -11.650 -2.856 1.00 0.00 C ATOM 1136 NE ARG A 68 8.119 -12.883 -3.081 1.00 0.00 N ATOM 1137 CZ ARG A 68 6.789 -12.961 -2.943 1.00 0.00 C ATOM 1138 NH1 ARG A 68 6.089 -11.878 -2.578 1.00 0.00 N ATOM 1139 NH2 ARG A 68 6.159 -14.122 -3.169 1.00 0.00 N ATOM 0 H ARG A 68 9.751 -8.871 -5.710 1.00 0.00 H new ATOM 0 HA ARG A 68 11.083 -11.148 -4.885 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.307 -10.804 -6.091 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.858 -12.285 -5.332 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.184 -9.721 -3.780 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.562 -10.365 -3.948 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.970 -11.887 -2.836 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.657 -11.222 -1.885 1.00 0.00 H new ATOM 0 HE ARG A 68 8.621 -13.726 -3.359 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.569 -10.995 -2.405 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.076 -11.937 -2.473 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.692 -14.946 -3.446 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.146 -14.182 -3.064 1.00 0.00 H new ATOM 1153 N ILE A 69 10.087 -11.335 -8.042 1.00 0.00 N ATOM 1154 CA ILE A 69 10.347 -11.981 -9.317 1.00 0.00 C ATOM 1155 C ILE A 69 11.857 -12.141 -9.504 1.00 0.00 C ATOM 1156 O ILE A 69 12.323 -13.190 -9.947 1.00 0.00 O ATOM 1157 CB ILE A 69 9.663 -11.218 -10.453 1.00 0.00 C ATOM 1158 CG1 ILE A 69 8.141 -11.255 -10.301 1.00 0.00 C ATOM 1159 CG2 ILE A 69 10.115 -11.744 -11.817 1.00 0.00 C ATOM 1160 CD1 ILE A 69 7.480 -10.152 -11.131 1.00 0.00 C ATOM 0 H ILE A 69 9.312 -10.672 -8.050 1.00 0.00 H new ATOM 0 HA ILE A 69 9.916 -12.982 -9.332 1.00 0.00 H new ATOM 0 HB ILE A 69 9.967 -10.173 -10.393 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.764 -12.228 -10.616 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.874 -11.135 -9.251 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.614 -11.185 -12.607 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.194 -11.622 -11.915 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.860 -12.800 -11.902 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.398 -10.201 -11.005 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.841 -9.179 -10.797 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.729 -10.289 -12.183 1.00 0.00 H new ATOM 1172 N ILE A 70 12.579 -11.085 -9.159 1.00 0.00 N ATOM 1173 CA ILE A 70 14.026 -11.095 -9.284 1.00 0.00 C ATOM 1174 C ILE A 70 14.606 -12.165 -8.356 1.00 0.00 C ATOM 1175 O ILE A 70 15.133 -13.175 -8.821 1.00 0.00 O ATOM 1176 CB ILE A 70 14.595 -9.696 -9.040 1.00 0.00 C ATOM 1177 CG1 ILE A 70 13.854 -8.650 -9.875 1.00 0.00 C ATOM 1178 CG2 ILE A 70 16.104 -9.666 -9.291 1.00 0.00 C ATOM 1179 CD1 ILE A 70 14.749 -8.102 -10.988 1.00 0.00 C ATOM 0 H ILE A 70 12.188 -10.217 -8.793 1.00 0.00 H new ATOM 0 HA ILE A 70 14.319 -11.360 -10.300 1.00 0.00 H new ATOM 0 HB ILE A 70 14.438 -9.441 -7.992 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.958 -9.094 -10.309 1.00 0.00 H new ATOM 0 HG13 ILE A 70 13.525 -7.833 -9.233 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.483 -8.660 -9.110 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.599 -10.366 -8.618 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.307 -9.950 -10.324 1.00 0.00 H new ATOM 0 HD11 ILE A 70 14.198 -7.361 -11.566 1.00 0.00 H new ATOM 0 HD12 ILE A 70 15.632 -7.637 -10.549 1.00 0.00 H new ATOM 0 HD13 ILE A 70 15.056 -8.918 -11.643 1.00 0.00 H new ATOM 1191 N PHE A 71 14.491 -11.906 -7.062 1.00 0.00 N ATOM 1192 CA PHE A 71 14.997 -12.834 -6.065 1.00 0.00 C ATOM 1193 C PHE A 71 14.516 -14.259 -6.348 1.00 0.00 C ATOM 1194 O PHE A 71 15.117 -15.225 -5.880 1.00 0.00 O ATOM 1195 CB PHE A 71 14.445 -12.382 -4.712 1.00 0.00 C ATOM 1196 CG PHE A 71 14.421 -13.483 -3.650 1.00 0.00 C ATOM 1197 CD1 PHE A 71 13.531 -14.507 -3.753 1.00 0.00 C ATOM 1198 CD2 PHE A 71 15.289 -13.439 -2.604 1.00 0.00 C ATOM 1199 CE1 PHE A 71 13.509 -15.529 -2.767 1.00 0.00 C ATOM 1200 CE2 PHE A 71 15.266 -14.461 -1.619 1.00 0.00 C ATOM 1201 CZ PHE A 71 14.377 -15.485 -1.721 1.00 0.00 C ATOM 0 H PHE A 71 14.055 -11.067 -6.681 1.00 0.00 H new ATOM 0 HA PHE A 71 16.087 -12.837 -6.079 1.00 0.00 H new ATOM 0 HB2 PHE A 71 15.047 -11.551 -4.345 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.432 -12.005 -4.852 1.00 0.00 H new ATOM 0 HD1 PHE A 71 12.842 -14.543 -4.584 1.00 0.00 H new ATOM 0 HD2 PHE A 71 15.996 -12.627 -2.523 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.802 -16.342 -2.848 1.00 0.00 H new ATOM 0 HE2 PHE A 71 15.955 -14.425 -0.788 1.00 0.00 H new ATOM 0 HZ PHE A 71 14.360 -16.263 -0.972 1.00 0.00 H new ATOM 1211 N GLU A 72 13.438 -14.344 -7.113 1.00 0.00 N ATOM 1212 CA GLU A 72 12.869 -15.635 -7.464 1.00 0.00 C ATOM 1213 C GLU A 72 13.628 -16.246 -8.644 1.00 0.00 C ATOM 1214 O GLU A 72 14.332 -17.242 -8.485 1.00 0.00 O ATOM 1215 CB GLU A 72 11.377 -15.510 -7.777 1.00 0.00 C ATOM 1216 CG GLU A 72 10.977 -16.443 -8.922 1.00 0.00 C ATOM 1217 CD GLU A 72 9.485 -16.779 -8.860 1.00 0.00 C ATOM 1218 OE1 GLU A 72 9.148 -17.732 -8.125 1.00 0.00 O ATOM 1219 OE2 GLU A 72 8.716 -16.074 -9.548 1.00 0.00 O ATOM 0 H GLU A 72 12.943 -13.540 -7.500 1.00 0.00 H new ATOM 0 HA GLU A 72 12.972 -16.301 -6.607 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.794 -15.749 -6.888 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.143 -14.479 -8.044 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.208 -15.972 -9.877 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.563 -17.361 -8.869 1.00 0.00 H new ATOM 1226 N ALA A 73 13.458 -15.623 -9.801 1.00 0.00 N ATOM 1227 CA ALA A 73 14.118 -16.093 -11.007 1.00 0.00 C ATOM 1228 C ALA A 73 15.599 -16.335 -10.712 1.00 0.00 C ATOM 1229 O ALA A 73 16.189 -17.289 -11.217 1.00 0.00 O ATOM 1230 CB ALA A 73 13.906 -15.079 -12.133 1.00 0.00 C ATOM 0 H ALA A 73 12.873 -14.797 -9.929 1.00 0.00 H new ATOM 0 HA ALA A 73 13.689 -17.040 -11.335 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.401 -15.431 -13.038 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.839 -14.965 -12.324 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.327 -14.117 -11.840 1.00 0.00 H new ATOM 1236 N HIS A 74 16.159 -15.455 -9.894 1.00 0.00 N ATOM 1237 CA HIS A 74 17.560 -15.561 -9.526 1.00 0.00 C ATOM 1238 C HIS A 74 17.811 -16.909 -8.847 1.00 0.00 C ATOM 1239 O HIS A 74 18.910 -17.455 -8.930 1.00 0.00 O ATOM 1240 CB HIS A 74 17.986 -14.373 -8.660 1.00 0.00 C ATOM 1241 CG HIS A 74 19.481 -14.218 -8.524 1.00 0.00 C ATOM 1242 ND1 HIS A 74 20.168 -14.555 -7.371 1.00 0.00 N ATOM 1243 CD2 HIS A 74 20.414 -13.758 -9.407 1.00 0.00 C ATOM 1244 CE1 HIS A 74 21.455 -14.305 -7.563 1.00 0.00 C ATOM 1245 NE2 HIS A 74 21.605 -13.811 -8.825 1.00 0.00 N ATOM 0 H HIS A 74 15.667 -14.665 -9.476 1.00 0.00 H new ATOM 0 HA HIS A 74 18.179 -15.523 -10.422 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.574 -13.459 -9.087 1.00 0.00 H new ATOM 0 HB3 HIS A 74 17.551 -14.486 -7.667 1.00 0.00 H new ATOM 0 HD2 HIS A 74 20.216 -13.410 -10.410 1.00 0.00 H new ATOM 0 HE1 HIS A 74 22.246 -14.465 -6.846 1.00 0.00 H new ATOM 0 HE2 HIS A 74 22.488 -13.529 -9.251 1.00 0.00 H new ATOM 1253 N LYS A 75 16.774 -17.408 -8.191 1.00 0.00 N ATOM 1254 CA LYS A 75 16.868 -18.681 -7.498 1.00 0.00 C ATOM 1255 C LYS A 75 16.386 -19.798 -8.426 1.00 0.00 C ATOM 1256 O LYS A 75 16.186 -20.930 -7.988 1.00 0.00 O ATOM 1257 CB LYS A 75 16.120 -18.623 -6.165 1.00 0.00 C ATOM 1258 CG LYS A 75 14.758 -19.313 -6.270 1.00 0.00 C ATOM 1259 CD LYS A 75 13.859 -18.933 -5.091 1.00 0.00 C ATOM 1260 CE LYS A 75 12.384 -19.149 -5.435 1.00 0.00 C ATOM 1261 NZ LYS A 75 11.552 -19.084 -4.213 1.00 0.00 N ATOM 0 H LYS A 75 15.864 -16.953 -8.125 1.00 0.00 H new ATOM 0 HA LYS A 75 17.905 -18.901 -7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.716 -19.103 -5.388 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.983 -17.584 -5.866 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.275 -19.032 -7.206 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.895 -20.394 -6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.124 -19.531 -4.219 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.025 -17.889 -4.824 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.056 -18.391 -6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.255 -20.117 -5.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.554 -19.233 -4.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.855 -19.823 -3.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.662 -18.151 -3.768 1.00 0.00 H new ATOM 1275 N VAL A 76 16.213 -19.441 -9.690 1.00 0.00 N ATOM 1276 CA VAL A 76 15.758 -20.399 -10.683 1.00 0.00 C ATOM 1277 C VAL A 76 16.835 -20.564 -11.757 1.00 0.00 C ATOM 1278 O VAL A 76 16.853 -21.562 -12.475 1.00 0.00 O ATOM 1279 CB VAL A 76 14.408 -19.960 -11.253 1.00 0.00 C ATOM 1280 CG1 VAL A 76 13.775 -21.078 -12.084 1.00 0.00 C ATOM 1281 CG2 VAL A 76 13.464 -19.505 -10.138 1.00 0.00 C ATOM 0 H VAL A 76 16.380 -18.501 -10.049 1.00 0.00 H new ATOM 0 HA VAL A 76 15.601 -21.377 -10.227 1.00 0.00 H new ATOM 0 HB VAL A 76 14.583 -19.110 -11.912 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.816 -20.740 -12.478 1.00 0.00 H new ATOM 0 HG12 VAL A 76 14.437 -21.336 -12.911 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.621 -21.955 -11.456 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.512 -19.198 -10.570 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.299 -20.328 -9.443 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.908 -18.664 -9.606 1.00 0.00 H new ATOM 1291 N LEU A 77 17.707 -19.569 -11.833 1.00 0.00 N ATOM 1292 CA LEU A 77 18.784 -19.591 -12.808 1.00 0.00 C ATOM 1293 C LEU A 77 20.124 -19.447 -12.083 1.00 0.00 C ATOM 1294 O LEU A 77 20.956 -20.352 -12.124 1.00 0.00 O ATOM 1295 CB LEU A 77 18.552 -18.533 -13.888 1.00 0.00 C ATOM 1296 CG LEU A 77 17.092 -18.191 -14.189 1.00 0.00 C ATOM 1297 CD1 LEU A 77 16.842 -16.687 -14.055 1.00 0.00 C ATOM 1298 CD2 LEU A 77 16.676 -18.721 -15.563 1.00 0.00 C ATOM 0 H LEU A 77 17.689 -18.743 -11.235 1.00 0.00 H new ATOM 0 HA LEU A 77 18.805 -20.547 -13.332 1.00 0.00 H new ATOM 0 HB2 LEU A 77 19.064 -17.619 -13.589 1.00 0.00 H new ATOM 0 HB3 LEU A 77 19.022 -18.875 -14.810 1.00 0.00 H new ATOM 0 HG LEU A 77 16.465 -18.689 -13.449 1.00 0.00 H new ATOM 0 HD11 LEU A 77 15.796 -16.471 -14.274 1.00 0.00 H new ATOM 0 HD12 LEU A 77 17.073 -16.369 -13.038 1.00 0.00 H new ATOM 0 HD13 LEU A 77 17.479 -16.148 -14.757 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.634 -18.464 -15.752 1.00 0.00 H new ATOM 0 HD22 LEU A 77 17.305 -18.272 -16.332 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.792 -19.805 -15.586 1.00 0.00 H new ATOM 1310 N GLY A 78 20.292 -18.303 -11.438 1.00 0.00 N ATOM 1311 CA GLY A 78 21.516 -18.028 -10.705 1.00 0.00 C ATOM 1312 C GLY A 78 21.929 -16.563 -10.857 1.00 0.00 C ATOM 1313 O GLY A 78 22.071 -15.849 -9.866 1.00 0.00 O ATOM 0 H GLY A 78 19.600 -17.554 -11.408 1.00 0.00 H new ATOM 0 HA2 GLY A 78 21.372 -18.261 -9.650 1.00 0.00 H new ATOM 0 HA3 GLY A 78 22.315 -18.674 -11.069 1.00 0.00 H new ATOM 1317 N ASN A 79 22.112 -16.159 -12.105 1.00 0.00 N ATOM 1318 CA ASN A 79 22.506 -14.792 -12.399 1.00 0.00 C ATOM 1319 C ASN A 79 22.115 -14.451 -13.839 1.00 0.00 C ATOM 1320 O ASN A 79 22.704 -13.562 -14.452 1.00 0.00 O ATOM 1321 CB ASN A 79 24.019 -14.614 -12.265 1.00 0.00 C ATOM 1322 CG ASN A 79 24.703 -15.947 -11.954 1.00 0.00 C ATOM 1323 OD1 ASN A 79 24.611 -16.910 -12.697 1.00 0.00 O ATOM 1324 ND2 ASN A 79 25.391 -15.949 -10.815 1.00 0.00 N ATOM 0 H ASN A 79 21.995 -16.755 -12.925 1.00 0.00 H new ATOM 0 HA ASN A 79 22.002 -14.136 -11.690 1.00 0.00 H new ATOM 0 HB2 ASN A 79 24.423 -14.201 -13.189 1.00 0.00 H new ATOM 0 HB3 ASN A 79 24.236 -13.897 -11.473 1.00 0.00 H new ATOM 0 HD21 ASN A 79 25.882 -16.792 -10.517 1.00 0.00 H new ATOM 0 HD22 ASN A 79 25.427 -15.108 -10.239 1.00 0.00 H new ATOM 1331 N ARG A 80 21.125 -15.177 -14.337 1.00 0.00 N ATOM 1332 CA ARG A 80 20.649 -14.963 -15.693 1.00 0.00 C ATOM 1333 C ARG A 80 19.875 -13.646 -15.783 1.00 0.00 C ATOM 1334 O ARG A 80 18.698 -13.637 -16.138 1.00 0.00 O ATOM 1335 CB ARG A 80 19.744 -16.110 -16.147 1.00 0.00 C ATOM 1336 CG ARG A 80 20.492 -17.061 -17.084 1.00 0.00 C ATOM 1337 CD ARG A 80 21.117 -18.220 -16.305 1.00 0.00 C ATOM 1338 NE ARG A 80 20.666 -19.511 -16.869 1.00 0.00 N ATOM 1339 CZ ARG A 80 21.331 -20.666 -16.730 1.00 0.00 C ATOM 1340 NH1 ARG A 80 22.482 -20.697 -16.045 1.00 0.00 N ATOM 1341 NH2 ARG A 80 20.846 -21.789 -17.277 1.00 0.00 N ATOM 0 H ARG A 80 20.639 -15.914 -13.826 1.00 0.00 H new ATOM 0 HA ARG A 80 21.520 -14.922 -16.347 1.00 0.00 H new ATOM 0 HB2 ARG A 80 19.383 -16.659 -15.277 1.00 0.00 H new ATOM 0 HB3 ARG A 80 18.868 -15.707 -16.655 1.00 0.00 H new ATOM 0 HG2 ARG A 80 19.806 -17.452 -17.835 1.00 0.00 H new ATOM 0 HG3 ARG A 80 21.270 -16.515 -17.617 1.00 0.00 H new ATOM 0 HD2 ARG A 80 22.204 -18.154 -16.350 1.00 0.00 H new ATOM 0 HD3 ARG A 80 20.837 -18.155 -15.254 1.00 0.00 H new ATOM 0 HE ARG A 80 19.793 -19.523 -17.397 1.00 0.00 H new ATOM 0 HH11 ARG A 80 22.852 -19.842 -15.630 1.00 0.00 H new ATOM 0 HH12 ARG A 80 22.989 -21.576 -15.939 1.00 0.00 H new ATOM 0 HH21 ARG A 80 19.970 -21.765 -17.799 1.00 0.00 H new ATOM 0 HH22 ARG A 80 21.353 -22.668 -17.171 1.00 0.00 H new ATOM 1355 N TRP A 81 20.569 -12.566 -15.454 1.00 0.00 N ATOM 1356 CA TRP A 81 19.961 -11.247 -15.493 1.00 0.00 C ATOM 1357 C TRP A 81 19.342 -11.052 -16.878 1.00 0.00 C ATOM 1358 O TRP A 81 18.286 -10.434 -17.009 1.00 0.00 O ATOM 1359 CB TRP A 81 20.980 -10.163 -15.136 1.00 0.00 C ATOM 1360 CG TRP A 81 21.966 -10.572 -14.039 1.00 0.00 C ATOM 1361 CD1 TRP A 81 23.287 -10.767 -14.148 1.00 0.00 C ATOM 1362 CD2 TRP A 81 21.652 -10.830 -12.654 1.00 0.00 C ATOM 1363 NE1 TRP A 81 23.846 -11.130 -12.940 1.00 0.00 N ATOM 1364 CE2 TRP A 81 22.820 -11.169 -12.002 1.00 0.00 C ATOM 1365 CE3 TRP A 81 20.422 -10.777 -11.975 1.00 0.00 C ATOM 1366 CZ2 TRP A 81 22.873 -11.483 -10.639 1.00 0.00 C ATOM 1367 CZ3 TRP A 81 20.492 -11.094 -10.613 1.00 0.00 C ATOM 1368 CH2 TRP A 81 21.660 -11.438 -9.942 1.00 0.00 C ATOM 0 H TRP A 81 21.546 -12.578 -15.160 1.00 0.00 H new ATOM 0 HA TRP A 81 19.173 -11.164 -14.745 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.540 -9.896 -16.032 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.446 -9.268 -14.815 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.844 -10.654 -15.066 1.00 0.00 H new ATOM 0 HE1 TRP A 81 24.831 -11.332 -12.767 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.497 -10.513 -12.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 23.800 -11.746 -10.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.574 -11.070 -10.044 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.632 -11.670 -8.887 1.00 0.00 H new ATOM 1379 N ALA A 82 20.025 -11.591 -17.878 1.00 0.00 N ATOM 1380 CA ALA A 82 19.555 -11.484 -19.249 1.00 0.00 C ATOM 1381 C ALA A 82 18.178 -12.141 -19.364 1.00 0.00 C ATOM 1382 O ALA A 82 17.424 -11.853 -20.292 1.00 0.00 O ATOM 1383 CB ALA A 82 20.582 -12.114 -20.191 1.00 0.00 C ATOM 0 H ALA A 82 20.900 -12.103 -17.766 1.00 0.00 H new ATOM 0 HA ALA A 82 19.447 -10.438 -19.537 1.00 0.00 H new ATOM 0 HB1 ALA A 82 20.230 -12.034 -21.219 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.534 -11.593 -20.092 1.00 0.00 H new ATOM 0 HB3 ALA A 82 20.715 -13.165 -19.934 1.00 0.00 H new ATOM 1389 N GLU A 83 17.891 -13.011 -18.407 1.00 0.00 N ATOM 1390 CA GLU A 83 16.618 -13.711 -18.389 1.00 0.00 C ATOM 1391 C GLU A 83 15.707 -13.129 -17.306 1.00 0.00 C ATOM 1392 O GLU A 83 14.485 -13.143 -17.444 1.00 0.00 O ATOM 1393 CB GLU A 83 16.821 -15.213 -18.185 1.00 0.00 C ATOM 1394 CG GLU A 83 16.508 -15.618 -16.743 1.00 0.00 C ATOM 1395 CD GLU A 83 15.000 -15.772 -16.531 1.00 0.00 C ATOM 1396 OE1 GLU A 83 14.402 -16.578 -17.276 1.00 0.00 O ATOM 1397 OE2 GLU A 83 14.481 -15.080 -15.629 1.00 0.00 O ATOM 0 H GLU A 83 18.518 -13.247 -17.638 1.00 0.00 H new ATOM 0 HA GLU A 83 16.135 -13.571 -19.356 1.00 0.00 H new ATOM 0 HB2 GLU A 83 16.178 -15.767 -18.870 1.00 0.00 H new ATOM 0 HB3 GLU A 83 17.850 -15.481 -18.427 1.00 0.00 H new ATOM 0 HG2 GLU A 83 17.009 -16.557 -16.508 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.900 -14.867 -16.057 1.00 0.00 H new ATOM 1404 N ILE A 84 16.337 -12.630 -16.253 1.00 0.00 N ATOM 1405 CA ILE A 84 15.599 -12.044 -15.147 1.00 0.00 C ATOM 1406 C ILE A 84 14.664 -10.957 -15.682 1.00 0.00 C ATOM 1407 O ILE A 84 13.479 -10.935 -15.353 1.00 0.00 O ATOM 1408 CB ILE A 84 16.559 -11.550 -14.063 1.00 0.00 C ATOM 1409 CG1 ILE A 84 17.340 -12.715 -13.450 1.00 0.00 C ATOM 1410 CG2 ILE A 84 15.817 -10.736 -13.002 1.00 0.00 C ATOM 1411 CD1 ILE A 84 16.502 -13.443 -12.397 1.00 0.00 C ATOM 0 H ILE A 84 17.351 -12.619 -16.142 1.00 0.00 H new ATOM 0 HA ILE A 84 14.973 -12.796 -14.667 1.00 0.00 H new ATOM 0 HB ILE A 84 17.286 -10.884 -14.528 1.00 0.00 H new ATOM 0 HG12 ILE A 84 17.633 -13.414 -14.234 1.00 0.00 H new ATOM 0 HG13 ILE A 84 18.258 -12.343 -12.996 1.00 0.00 H new ATOM 0 HG21 ILE A 84 16.523 -10.397 -12.244 1.00 0.00 H new ATOM 0 HG22 ILE A 84 15.345 -9.872 -13.470 1.00 0.00 H new ATOM 0 HG23 ILE A 84 15.053 -11.358 -12.535 1.00 0.00 H new ATOM 0 HD11 ILE A 84 17.080 -14.266 -11.977 1.00 0.00 H new ATOM 0 HD12 ILE A 84 16.232 -12.747 -11.603 1.00 0.00 H new ATOM 0 HD13 ILE A 84 15.596 -13.835 -12.860 1.00 0.00 H new ATOM 1423 N ALA A 85 15.233 -10.082 -16.498 1.00 0.00 N ATOM 1424 CA ALA A 85 14.466 -8.995 -17.082 1.00 0.00 C ATOM 1425 C ALA A 85 13.366 -9.575 -17.974 1.00 0.00 C ATOM 1426 O ALA A 85 12.267 -9.027 -18.046 1.00 0.00 O ATOM 1427 CB ALA A 85 15.405 -8.061 -17.848 1.00 0.00 C ATOM 0 H ALA A 85 16.216 -10.104 -16.769 1.00 0.00 H new ATOM 0 HA ALA A 85 13.983 -8.405 -16.303 1.00 0.00 H new ATOM 0 HB1 ALA A 85 14.829 -7.246 -18.286 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.150 -7.653 -17.165 1.00 0.00 H new ATOM 0 HB3 ALA A 85 15.906 -8.618 -18.640 1.00 0.00 H new ATOM 1433 N LYS A 86 13.700 -10.676 -18.631 1.00 0.00 N ATOM 1434 CA LYS A 86 12.754 -11.336 -19.515 1.00 0.00 C ATOM 1435 C LYS A 86 11.502 -11.717 -18.723 1.00 0.00 C ATOM 1436 O LYS A 86 10.446 -11.964 -19.304 1.00 0.00 O ATOM 1437 CB LYS A 86 13.418 -12.519 -20.222 1.00 0.00 C ATOM 1438 CG LYS A 86 14.046 -12.084 -21.547 1.00 0.00 C ATOM 1439 CD LYS A 86 14.406 -13.297 -22.408 1.00 0.00 C ATOM 1440 CE LYS A 86 15.570 -12.976 -23.348 1.00 0.00 C ATOM 1441 NZ LYS A 86 16.112 -14.218 -23.944 1.00 0.00 N ATOM 0 H LYS A 86 14.612 -11.128 -18.569 1.00 0.00 H new ATOM 0 HA LYS A 86 12.436 -10.658 -20.307 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.184 -12.950 -19.577 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.679 -13.299 -20.405 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.352 -11.442 -22.089 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.941 -11.493 -21.353 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.673 -14.137 -21.766 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.538 -13.605 -22.991 1.00 0.00 H new ATOM 0 HE2 LYS A 86 15.233 -12.304 -24.137 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.355 -12.456 -22.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 16.901 -13.983 -24.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 16.452 -14.846 -23.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.365 -14.699 -24.484 1.00 0.00 H new ATOM 1455 N LEU A 87 11.661 -11.752 -17.408 1.00 0.00 N ATOM 1456 CA LEU A 87 10.556 -12.098 -16.529 1.00 0.00 C ATOM 1457 C LEU A 87 9.850 -10.818 -16.077 1.00 0.00 C ATOM 1458 O LEU A 87 9.093 -10.833 -15.107 1.00 0.00 O ATOM 1459 CB LEU A 87 11.045 -12.972 -15.373 1.00 0.00 C ATOM 1460 CG LEU A 87 10.990 -14.484 -15.605 1.00 0.00 C ATOM 1461 CD1 LEU A 87 9.670 -15.069 -15.100 1.00 0.00 C ATOM 1462 CD2 LEU A 87 11.241 -14.822 -17.076 1.00 0.00 C ATOM 0 H LEU A 87 12.538 -11.547 -16.930 1.00 0.00 H new ATOM 0 HA LEU A 87 9.818 -12.698 -17.062 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.075 -12.697 -15.146 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.450 -12.738 -14.490 1.00 0.00 H new ATOM 0 HG LEU A 87 11.789 -14.947 -15.027 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.657 -16.144 -15.277 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.572 -14.876 -14.032 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.839 -14.604 -15.631 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.197 -15.902 -17.214 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.480 -14.346 -17.694 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.226 -14.459 -17.370 1.00 0.00 H new ATOM 1474 N LEU A 88 10.121 -9.743 -16.801 1.00 0.00 N ATOM 1475 CA LEU A 88 9.521 -8.457 -16.486 1.00 0.00 C ATOM 1476 C LEU A 88 9.094 -7.768 -17.783 1.00 0.00 C ATOM 1477 O LEU A 88 9.289 -8.307 -18.871 1.00 0.00 O ATOM 1478 CB LEU A 88 10.470 -7.619 -15.628 1.00 0.00 C ATOM 1479 CG LEU A 88 11.471 -8.401 -14.774 1.00 0.00 C ATOM 1480 CD1 LEU A 88 12.478 -7.460 -14.110 1.00 0.00 C ATOM 1481 CD2 LEU A 88 10.749 -9.282 -13.753 1.00 0.00 C ATOM 0 H LEU A 88 10.748 -9.735 -17.605 1.00 0.00 H new ATOM 0 HA LEU A 88 8.622 -8.593 -15.885 1.00 0.00 H new ATOM 0 HB2 LEU A 88 11.027 -6.951 -16.285 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.872 -6.991 -14.968 1.00 0.00 H new ATOM 0 HG LEU A 88 12.035 -9.064 -15.430 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.178 -8.041 -13.509 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.026 -6.913 -14.877 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.949 -6.754 -13.470 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.483 -9.827 -13.159 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.143 -8.657 -13.097 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.106 -9.991 -14.274 1.00 0.00 H new ATOM 1493 N PRO A 89 8.502 -6.554 -17.621 1.00 0.00 N ATOM 1494 CA PRO A 89 8.045 -5.785 -18.766 1.00 0.00 C ATOM 1495 C PRO A 89 9.224 -5.150 -19.506 1.00 0.00 C ATOM 1496 O PRO A 89 9.034 -4.448 -20.497 1.00 0.00 O ATOM 1497 CB PRO A 89 7.082 -4.758 -18.191 1.00 0.00 C ATOM 1498 CG PRO A 89 7.389 -4.686 -16.704 1.00 0.00 C ATOM 1499 CD PRO A 89 8.254 -5.884 -16.347 1.00 0.00 C ATOM 0 HA PRO A 89 7.549 -6.401 -19.516 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.218 -3.786 -18.665 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.047 -5.054 -18.362 1.00 0.00 H new ATOM 0 HG2 PRO A 89 7.907 -3.757 -16.466 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.467 -4.695 -16.123 1.00 0.00 H new ATOM 0 HD2 PRO A 89 9.186 -5.573 -15.875 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.746 -6.544 -15.644 1.00 0.00 H new ATOM 1507 N GLY A 90 10.417 -5.419 -18.994 1.00 0.00 N ATOM 1508 CA GLY A 90 11.626 -4.883 -19.594 1.00 0.00 C ATOM 1509 C GLY A 90 12.471 -4.141 -18.556 1.00 0.00 C ATOM 1510 O GLY A 90 12.064 -3.096 -18.051 1.00 0.00 O ATOM 0 H GLY A 90 10.571 -6.001 -18.171 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.209 -5.693 -20.031 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.363 -4.205 -20.406 1.00 0.00 H new ATOM 1514 N ARG A 91 13.632 -4.711 -18.268 1.00 0.00 N ATOM 1515 CA ARG A 91 14.537 -4.117 -17.300 1.00 0.00 C ATOM 1516 C ARG A 91 15.982 -4.517 -17.608 1.00 0.00 C ATOM 1517 O ARG A 91 16.844 -4.467 -16.733 1.00 0.00 O ATOM 1518 CB ARG A 91 14.187 -4.557 -15.877 1.00 0.00 C ATOM 1519 CG ARG A 91 13.717 -3.368 -15.036 1.00 0.00 C ATOM 1520 CD ARG A 91 14.751 -2.241 -15.054 1.00 0.00 C ATOM 1521 NE ARG A 91 14.753 -1.535 -13.753 1.00 0.00 N ATOM 1522 CZ ARG A 91 15.328 -0.342 -13.546 1.00 0.00 C ATOM 1523 NH1 ARG A 91 15.950 0.286 -14.554 1.00 0.00 N ATOM 1524 NH2 ARG A 91 15.280 0.224 -12.333 1.00 0.00 N ATOM 0 H ARG A 91 13.966 -5.578 -18.688 1.00 0.00 H new ATOM 0 HA ARG A 91 14.433 -3.034 -17.370 1.00 0.00 H new ATOM 0 HB2 ARG A 91 13.405 -5.316 -15.909 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.058 -5.016 -15.410 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.766 -3.000 -15.420 1.00 0.00 H new ATOM 0 HG3 ARG A 91 13.543 -3.690 -14.009 1.00 0.00 H new ATOM 0 HD2 ARG A 91 15.741 -2.648 -15.258 1.00 0.00 H new ATOM 0 HD3 ARG A 91 14.523 -1.540 -15.857 1.00 0.00 H new ATOM 0 HE ARG A 91 14.288 -1.985 -12.965 1.00 0.00 H new ATOM 0 HH11 ARG A 91 15.986 -0.144 -15.478 1.00 0.00 H new ATOM 0 HH12 ARG A 91 16.388 1.194 -14.397 1.00 0.00 H new ATOM 0 HH21 ARG A 91 14.806 -0.253 -11.566 1.00 0.00 H new ATOM 0 HH22 ARG A 91 15.718 1.132 -12.176 1.00 0.00 H new ATOM 1538 N THR A 92 16.201 -4.904 -18.856 1.00 0.00 N ATOM 1539 CA THR A 92 17.526 -5.312 -19.291 1.00 0.00 C ATOM 1540 C THR A 92 18.180 -6.211 -18.239 1.00 0.00 C ATOM 1541 O THR A 92 17.521 -6.653 -17.300 1.00 0.00 O ATOM 1542 CB THR A 92 18.333 -4.049 -19.598 1.00 0.00 C ATOM 1543 OG1 THR A 92 18.159 -3.237 -18.440 1.00 0.00 O ATOM 1544 CG2 THR A 92 17.719 -3.222 -20.729 1.00 0.00 C ATOM 0 H THR A 92 15.483 -4.944 -19.580 1.00 0.00 H new ATOM 0 HA THR A 92 17.476 -5.912 -20.200 1.00 0.00 H new ATOM 0 HB THR A 92 19.353 -4.326 -19.864 1.00 0.00 H new ATOM 0 HG1 THR A 92 19.028 -2.885 -18.154 1.00 0.00 H new ATOM 0 HG21 THR A 92 18.331 -2.337 -20.906 1.00 0.00 H new ATOM 0 HG22 THR A 92 17.678 -3.823 -21.638 1.00 0.00 H new ATOM 0 HG23 THR A 92 16.711 -2.916 -20.450 1.00 0.00 H new ATOM 1552 N ASP A 93 19.468 -6.454 -18.433 1.00 0.00 N ATOM 1553 CA ASP A 93 20.218 -7.291 -17.513 1.00 0.00 C ATOM 1554 C ASP A 93 21.059 -6.404 -16.593 1.00 0.00 C ATOM 1555 O ASP A 93 21.077 -6.604 -15.379 1.00 0.00 O ATOM 1556 CB ASP A 93 21.167 -8.225 -18.267 1.00 0.00 C ATOM 1557 CG ASP A 93 21.790 -7.630 -19.531 1.00 0.00 C ATOM 1558 OD1 ASP A 93 21.075 -7.597 -20.555 1.00 0.00 O ATOM 1559 OD2 ASP A 93 22.969 -7.222 -19.444 1.00 0.00 O ATOM 0 H ASP A 93 20.011 -6.086 -19.214 1.00 0.00 H new ATOM 0 HA ASP A 93 19.506 -7.886 -16.941 1.00 0.00 H new ATOM 0 HB2 ASP A 93 21.968 -8.526 -17.592 1.00 0.00 H new ATOM 0 HB3 ASP A 93 20.623 -9.129 -18.539 1.00 0.00 H new ATOM 1564 N ASN A 94 21.735 -5.444 -17.206 1.00 0.00 N ATOM 1565 CA ASN A 94 22.576 -4.526 -16.457 1.00 0.00 C ATOM 1566 C ASN A 94 21.774 -3.938 -15.295 1.00 0.00 C ATOM 1567 O ASN A 94 22.328 -3.652 -14.235 1.00 0.00 O ATOM 1568 CB ASN A 94 23.049 -3.368 -17.338 1.00 0.00 C ATOM 1569 CG ASN A 94 22.002 -3.025 -18.401 1.00 0.00 C ATOM 1570 OD1 ASN A 94 20.924 -2.533 -18.111 1.00 0.00 O ATOM 1571 ND2 ASN A 94 22.379 -3.313 -19.643 1.00 0.00 N ATOM 0 H ASN A 94 21.718 -5.282 -18.213 1.00 0.00 H new ATOM 0 HA ASN A 94 23.441 -5.081 -16.096 1.00 0.00 H new ATOM 0 HB2 ASN A 94 23.245 -2.492 -16.719 1.00 0.00 H new ATOM 0 HB3 ASN A 94 23.989 -3.634 -17.821 1.00 0.00 H new ATOM 0 HD21 ASN A 94 21.751 -3.123 -20.424 1.00 0.00 H new ATOM 0 HD22 ASN A 94 23.296 -3.724 -19.815 1.00 0.00 H new ATOM 1578 N ALA A 95 20.480 -3.776 -15.533 1.00 0.00 N ATOM 1579 CA ALA A 95 19.596 -3.228 -14.519 1.00 0.00 C ATOM 1580 C ALA A 95 19.495 -4.211 -13.351 1.00 0.00 C ATOM 1581 O ALA A 95 19.924 -3.906 -12.239 1.00 0.00 O ATOM 1582 CB ALA A 95 18.233 -2.921 -15.142 1.00 0.00 C ATOM 0 H ALA A 95 20.023 -4.015 -16.413 1.00 0.00 H new ATOM 0 HA ALA A 95 19.994 -2.292 -14.128 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.570 -2.510 -14.381 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.356 -2.196 -15.947 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.801 -3.838 -15.543 1.00 0.00 H new ATOM 1588 N VAL A 96 18.925 -5.371 -13.643 1.00 0.00 N ATOM 1589 CA VAL A 96 18.762 -6.400 -12.631 1.00 0.00 C ATOM 1590 C VAL A 96 20.122 -6.712 -12.003 1.00 0.00 C ATOM 1591 O VAL A 96 20.320 -6.502 -10.807 1.00 0.00 O ATOM 1592 CB VAL A 96 18.089 -7.632 -13.240 1.00 0.00 C ATOM 1593 CG1 VAL A 96 17.921 -8.738 -12.197 1.00 0.00 C ATOM 1594 CG2 VAL A 96 16.744 -7.265 -13.872 1.00 0.00 C ATOM 0 H VAL A 96 18.570 -5.621 -14.566 1.00 0.00 H new ATOM 0 HA VAL A 96 18.107 -6.050 -11.833 1.00 0.00 H new ATOM 0 HB VAL A 96 18.738 -8.012 -14.029 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.440 -9.602 -12.657 1.00 0.00 H new ATOM 0 HG12 VAL A 96 18.899 -9.028 -11.814 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.304 -8.373 -11.376 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.286 -8.158 -14.298 1.00 0.00 H new ATOM 0 HG22 VAL A 96 16.086 -6.848 -13.110 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.901 -6.527 -14.659 1.00 0.00 H new ATOM 1604 N LYS A 97 21.024 -7.207 -12.837 1.00 0.00 N ATOM 1605 CA LYS A 97 22.359 -7.550 -12.379 1.00 0.00 C ATOM 1606 C LYS A 97 22.827 -6.507 -11.361 1.00 0.00 C ATOM 1607 O LYS A 97 23.150 -6.846 -10.224 1.00 0.00 O ATOM 1608 CB LYS A 97 23.307 -7.718 -13.568 1.00 0.00 C ATOM 1609 CG LYS A 97 24.700 -8.146 -13.102 1.00 0.00 C ATOM 1610 CD LYS A 97 25.606 -8.457 -14.295 1.00 0.00 C ATOM 1611 CE LYS A 97 25.994 -7.177 -15.038 1.00 0.00 C ATOM 1612 NZ LYS A 97 27.440 -6.906 -14.882 1.00 0.00 N ATOM 0 H LYS A 97 20.856 -7.379 -13.828 1.00 0.00 H new ATOM 0 HA LYS A 97 22.352 -8.513 -11.869 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.905 -8.462 -14.256 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.376 -6.780 -14.118 1.00 0.00 H new ATOM 0 HG2 LYS A 97 25.145 -7.354 -12.500 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.619 -9.025 -12.463 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.505 -8.968 -13.950 1.00 0.00 H new ATOM 0 HD3 LYS A 97 25.095 -9.137 -14.977 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.748 -7.274 -16.095 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.417 -6.337 -14.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.687 -6.034 -15.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.665 -6.792 -13.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 27.986 -7.701 -15.271 1.00 0.00 H new ATOM 1626 N ASN A 98 22.849 -5.260 -11.808 1.00 0.00 N ATOM 1627 CA ASN A 98 23.273 -4.166 -10.951 1.00 0.00 C ATOM 1628 C ASN A 98 22.381 -4.123 -9.708 1.00 0.00 C ATOM 1629 O ASN A 98 22.877 -4.152 -8.583 1.00 0.00 O ATOM 1630 CB ASN A 98 23.146 -2.822 -11.670 1.00 0.00 C ATOM 1631 CG ASN A 98 23.835 -1.708 -10.878 1.00 0.00 C ATOM 1632 OD1 ASN A 98 23.371 -1.273 -9.837 1.00 0.00 O ATOM 1633 ND2 ASN A 98 24.965 -1.274 -11.428 1.00 0.00 N ATOM 0 H ASN A 98 22.580 -4.983 -12.752 1.00 0.00 H new ATOM 0 HA ASN A 98 24.316 -4.334 -10.681 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.589 -2.894 -12.663 1.00 0.00 H new ATOM 0 HB3 ASN A 98 22.093 -2.577 -11.807 1.00 0.00 H new ATOM 0 HD21 ASN A 98 25.500 -0.533 -10.976 1.00 0.00 H new ATOM 0 HD22 ASN A 98 25.297 -1.683 -12.302 1.00 0.00 H new ATOM 1640 N HIS A 99 21.081 -4.054 -9.954 1.00 0.00 N ATOM 1641 CA HIS A 99 20.116 -4.006 -8.869 1.00 0.00 C ATOM 1642 C HIS A 99 20.483 -5.047 -7.809 1.00 0.00 C ATOM 1643 O HIS A 99 20.145 -4.890 -6.637 1.00 0.00 O ATOM 1644 CB HIS A 99 18.692 -4.180 -9.401 1.00 0.00 C ATOM 1645 CG HIS A 99 17.625 -4.108 -8.334 1.00 0.00 C ATOM 1646 ND1 HIS A 99 16.411 -4.723 -8.245 1.00 0.00 N flip ATOM 1647 CD2 HIS A 99 17.753 -3.330 -7.197 1.00 0.00 C flip ATOM 1648 CE1 HIS A 99 15.830 -4.343 -7.114 1.00 0.00 C flip ATOM 1649 NE2 HIS A 99 16.660 -3.479 -6.463 1.00 0.00 N flip ATOM 0 H HIS A 99 20.674 -4.030 -10.889 1.00 0.00 H new ATOM 0 HA HIS A 99 20.148 -3.026 -8.393 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.497 -3.410 -10.148 1.00 0.00 H new ATOM 0 HB3 HIS A 99 18.620 -5.142 -9.909 1.00 0.00 H new ATOM 0 HD2 HIS A 99 18.600 -2.707 -6.950 1.00 0.00 H new ATOM 0 HE1 HIS A 99 14.860 -4.665 -6.766 1.00 0.00 H new ATOM 0 HE2 HIS A 99 16.472 -3.027 -5.568 1.00 0.00 H new ATOM 1657 N TRP A 100 21.171 -6.086 -8.259 1.00 0.00 N ATOM 1658 CA TRP A 100 21.588 -7.152 -7.364 1.00 0.00 C ATOM 1659 C TRP A 100 22.569 -6.560 -6.350 1.00 0.00 C ATOM 1660 O TRP A 100 22.253 -6.453 -5.166 1.00 0.00 O ATOM 1661 CB TRP A 100 22.176 -8.327 -8.148 1.00 0.00 C ATOM 1662 CG TRP A 100 21.968 -9.687 -7.479 1.00 0.00 C ATOM 1663 CD1 TRP A 100 22.885 -10.630 -7.225 1.00 0.00 C ATOM 1664 CD2 TRP A 100 20.722 -10.221 -6.985 1.00 0.00 C ATOM 1665 NE1 TRP A 100 22.324 -11.729 -6.606 1.00 0.00 N ATOM 1666 CE2 TRP A 100 20.966 -11.472 -6.455 1.00 0.00 C ATOM 1667 CE3 TRP A 100 19.430 -9.665 -6.985 1.00 0.00 C ATOM 1668 CZ2 TRP A 100 19.968 -12.272 -5.887 1.00 0.00 C ATOM 1669 CZ3 TRP A 100 18.443 -10.478 -6.414 1.00 0.00 C ATOM 1670 CH2 TRP A 100 18.673 -11.739 -5.877 1.00 0.00 C ATOM 0 H TRP A 100 21.450 -6.212 -9.232 1.00 0.00 H new ATOM 0 HA TRP A 100 20.733 -7.560 -6.825 1.00 0.00 H new ATOM 0 HB2 TRP A 100 21.727 -8.349 -9.141 1.00 0.00 H new ATOM 0 HB3 TRP A 100 23.244 -8.161 -8.285 1.00 0.00 H new ATOM 0 HD1 TRP A 100 23.932 -10.541 -7.473 1.00 0.00 H new ATOM 0 HE1 TRP A 100 22.815 -12.574 -6.313 1.00 0.00 H new ATOM 0 HE3 TRP A 100 19.216 -8.688 -7.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 20.185 -13.248 -5.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 17.432 -10.098 -6.389 1.00 0.00 H new ATOM 0 HH2 TRP A 100 17.857 -12.305 -5.454 1.00 0.00 H new ATOM 1681 N ASN A 101 23.739 -6.192 -6.851 1.00 0.00 N ATOM 1682 CA ASN A 101 24.768 -5.614 -6.003 1.00 0.00 C ATOM 1683 C ASN A 101 24.324 -4.223 -5.546 1.00 0.00 C ATOM 1684 O ASN A 101 25.016 -3.572 -4.764 1.00 0.00 O ATOM 1685 CB ASN A 101 26.087 -5.463 -6.762 1.00 0.00 C ATOM 1686 CG ASN A 101 26.722 -6.828 -7.034 1.00 0.00 C ATOM 1687 OD1 ASN A 101 27.178 -7.519 -6.139 1.00 0.00 O ATOM 1688 ND2 ASN A 101 26.726 -7.177 -8.318 1.00 0.00 N ATOM 0 H ASN A 101 23.997 -6.283 -7.834 1.00 0.00 H new ATOM 0 HA ASN A 101 24.916 -6.279 -5.152 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.911 -4.945 -7.705 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.775 -4.847 -6.184 1.00 0.00 H new ATOM 0 HD21 ASN A 101 27.128 -8.070 -8.602 1.00 0.00 H new ATOM 0 HD22 ASN A 101 26.327 -6.551 -9.018 1.00 0.00 H new ATOM 1695 N SER A 102 23.172 -3.808 -6.052 1.00 0.00 N ATOM 1696 CA SER A 102 22.628 -2.506 -5.706 1.00 0.00 C ATOM 1697 C SER A 102 22.109 -2.522 -4.267 1.00 0.00 C ATOM 1698 O SER A 102 22.792 -2.066 -3.352 1.00 0.00 O ATOM 1699 CB SER A 102 21.509 -2.103 -6.669 1.00 0.00 C ATOM 1700 OG SER A 102 21.981 -1.964 -8.006 1.00 0.00 O ATOM 0 H SER A 102 22.600 -4.351 -6.699 1.00 0.00 H new ATOM 0 HA SER A 102 23.426 -1.768 -5.790 1.00 0.00 H new ATOM 0 HB2 SER A 102 20.718 -2.852 -6.640 1.00 0.00 H new ATOM 0 HB3 SER A 102 21.069 -1.162 -6.340 1.00 0.00 H new ATOM 0 HG SER A 102 22.660 -1.258 -8.041 1.00 0.00 H new ATOM 1706 N THR A 103 20.904 -3.052 -4.112 1.00 0.00 N ATOM 1707 CA THR A 103 20.286 -3.133 -2.799 1.00 0.00 C ATOM 1708 C THR A 103 19.926 -4.583 -2.468 1.00 0.00 C ATOM 1709 O THR A 103 19.621 -4.904 -1.321 1.00 0.00 O ATOM 1710 CB THR A 103 19.082 -2.190 -2.785 1.00 0.00 C ATOM 1711 OG1 THR A 103 19.636 -0.925 -2.430 1.00 0.00 O ATOM 1712 CG2 THR A 103 18.107 -2.501 -1.647 1.00 0.00 C ATOM 0 H THR A 103 20.340 -3.429 -4.873 1.00 0.00 H new ATOM 0 HA THR A 103 20.975 -2.815 -2.017 1.00 0.00 H new ATOM 0 HB THR A 103 18.559 -2.255 -3.739 1.00 0.00 H new ATOM 0 HG1 THR A 103 18.923 -0.253 -2.399 1.00 0.00 H new ATOM 0 HG21 THR A 103 17.271 -1.803 -1.683 1.00 0.00 H new ATOM 0 HG22 THR A 103 17.734 -3.519 -1.756 1.00 0.00 H new ATOM 0 HG23 THR A 103 18.621 -2.403 -0.691 1.00 0.00 H new ATOM 1720 N ILE A 104 19.972 -5.420 -3.494 1.00 0.00 N ATOM 1721 CA ILE A 104 19.655 -6.828 -3.327 1.00 0.00 C ATOM 1722 C ILE A 104 20.933 -7.597 -2.987 1.00 0.00 C ATOM 1723 O ILE A 104 21.065 -8.771 -3.330 1.00 0.00 O ATOM 1724 CB ILE A 104 18.925 -7.363 -4.561 1.00 0.00 C ATOM 1725 CG1 ILE A 104 17.995 -6.301 -5.151 1.00 0.00 C ATOM 1726 CG2 ILE A 104 18.181 -8.660 -4.238 1.00 0.00 C ATOM 1727 CD1 ILE A 104 17.479 -6.728 -6.527 1.00 0.00 C ATOM 0 H ILE A 104 20.224 -5.150 -4.445 1.00 0.00 H new ATOM 0 HA ILE A 104 18.967 -6.967 -2.493 1.00 0.00 H new ATOM 0 HB ILE A 104 19.669 -7.599 -5.322 1.00 0.00 H new ATOM 0 HG12 ILE A 104 17.153 -6.135 -4.478 1.00 0.00 H new ATOM 0 HG13 ILE A 104 18.527 -5.353 -5.236 1.00 0.00 H new ATOM 0 HG21 ILE A 104 17.671 -9.019 -5.132 1.00 0.00 H new ATOM 0 HG22 ILE A 104 18.893 -9.413 -3.899 1.00 0.00 H new ATOM 0 HG23 ILE A 104 17.449 -8.473 -3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 104 16.820 -5.956 -6.924 1.00 0.00 H new ATOM 0 HD12 ILE A 104 18.322 -6.870 -7.204 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.927 -7.663 -6.434 1.00 0.00 H new ATOM 1739 N LYS A 105 21.841 -6.905 -2.316 1.00 0.00 N ATOM 1740 CA LYS A 105 23.104 -7.508 -1.925 1.00 0.00 C ATOM 1741 C LYS A 105 23.572 -6.893 -0.605 1.00 0.00 C ATOM 1742 O LYS A 105 23.811 -5.689 -0.528 1.00 0.00 O ATOM 1743 CB LYS A 105 24.127 -7.389 -3.056 1.00 0.00 C ATOM 1744 CG LYS A 105 23.820 -8.381 -4.180 1.00 0.00 C ATOM 1745 CD LYS A 105 24.089 -9.819 -3.731 1.00 0.00 C ATOM 1746 CE LYS A 105 25.526 -10.235 -4.055 1.00 0.00 C ATOM 1747 NZ LYS A 105 25.543 -11.230 -5.150 1.00 0.00 N ATOM 0 H LYS A 105 21.728 -5.932 -2.033 1.00 0.00 H new ATOM 0 HA LYS A 105 22.978 -8.577 -1.751 1.00 0.00 H new ATOM 0 HB2 LYS A 105 24.121 -6.373 -3.451 1.00 0.00 H new ATOM 0 HB3 LYS A 105 25.128 -7.574 -2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.778 -8.280 -4.484 1.00 0.00 H new ATOM 0 HG3 LYS A 105 24.431 -8.148 -5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 105 23.914 -9.908 -2.659 1.00 0.00 H new ATOM 0 HD3 LYS A 105 23.391 -10.495 -4.225 1.00 0.00 H new ATOM 0 HE2 LYS A 105 26.108 -9.359 -4.342 1.00 0.00 H new ATOM 0 HE3 LYS A 105 25.998 -10.655 -3.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 26.425 -11.134 -5.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 25.485 -12.188 -4.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 24.730 -11.068 -5.779 1.00 0.00 H new ATOM 1761 N ARG A 106 23.688 -7.747 0.401 1.00 0.00 N ATOM 1762 CA ARG A 106 24.124 -7.302 1.714 1.00 0.00 C ATOM 1763 C ARG A 106 25.645 -7.142 1.743 1.00 0.00 C ATOM 1764 O ARG A 106 26.153 -6.034 1.903 1.00 0.00 O ATOM 1765 CB ARG A 106 23.701 -8.294 2.800 1.00 0.00 C ATOM 1766 CG ARG A 106 22.259 -8.039 3.244 1.00 0.00 C ATOM 1767 CD ARG A 106 21.377 -9.259 2.971 1.00 0.00 C ATOM 1768 NE ARG A 106 21.082 -9.357 1.524 1.00 0.00 N ATOM 1769 CZ ARG A 106 20.035 -10.019 1.014 1.00 0.00 C ATOM 1770 NH1 ARG A 106 19.177 -10.646 1.830 1.00 0.00 N ATOM 1771 NH2 ARG A 106 19.846 -10.054 -0.312 1.00 0.00 N ATOM 0 H ARG A 106 23.488 -8.745 0.334 1.00 0.00 H new ATOM 0 HA ARG A 106 23.651 -6.340 1.912 1.00 0.00 H new ATOM 0 HB2 ARG A 106 23.795 -9.313 2.424 1.00 0.00 H new ATOM 0 HB3 ARG A 106 24.370 -8.208 3.657 1.00 0.00 H new ATOM 0 HG2 ARG A 106 22.239 -7.802 4.308 1.00 0.00 H new ATOM 0 HG3 ARG A 106 21.860 -7.172 2.717 1.00 0.00 H new ATOM 0 HD2 ARG A 106 21.880 -10.165 3.310 1.00 0.00 H new ATOM 0 HD3 ARG A 106 20.448 -9.180 3.535 1.00 0.00 H new ATOM 0 HE ARG A 106 21.716 -8.891 0.874 1.00 0.00 H new ATOM 0 HH11 ARG A 106 19.321 -10.619 2.839 1.00 0.00 H new ATOM 0 HH12 ARG A 106 18.380 -11.150 1.442 1.00 0.00 H new ATOM 0 HH21 ARG A 106 20.499 -9.577 -0.933 1.00 0.00 H new ATOM 0 HH22 ARG A 106 19.049 -10.558 -0.700 1.00 0.00 H new ATOM 1785 N LYS A 107 26.329 -8.266 1.586 1.00 0.00 N ATOM 1786 CA LYS A 107 27.782 -8.264 1.593 1.00 0.00 C ATOM 1787 C LYS A 107 28.292 -7.534 0.349 1.00 0.00 C ATOM 1788 O LYS A 107 28.879 -8.149 -0.540 1.00 0.00 O ATOM 1789 CB LYS A 107 28.319 -9.691 1.731 1.00 0.00 C ATOM 1790 CG LYS A 107 29.460 -9.750 2.749 1.00 0.00 C ATOM 1791 CD LYS A 107 30.751 -10.248 2.097 1.00 0.00 C ATOM 1792 CE LYS A 107 31.926 -10.164 3.073 1.00 0.00 C ATOM 1793 NZ LYS A 107 33.046 -11.014 2.610 1.00 0.00 N ATOM 0 H LYS A 107 25.904 -9.184 1.453 1.00 0.00 H new ATOM 0 HA LYS A 107 28.158 -7.721 2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 107 27.515 -10.358 2.041 1.00 0.00 H new ATOM 0 HB3 LYS A 107 28.672 -10.046 0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 107 29.622 -8.760 3.176 1.00 0.00 H new ATOM 0 HG3 LYS A 107 29.185 -10.411 3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 107 30.621 -11.278 1.766 1.00 0.00 H new ATOM 0 HD3 LYS A 107 30.967 -9.653 1.210 1.00 0.00 H new ATOM 0 HE2 LYS A 107 32.259 -9.130 3.162 1.00 0.00 H new ATOM 0 HE3 LYS A 107 31.606 -10.482 4.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 33.835 -10.946 3.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 32.729 -12.002 2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 33.362 -10.692 1.673 1.00 0.00 H new ATOM 1807 N VAL A 108 28.050 -6.231 0.326 1.00 0.00 N ATOM 1808 CA VAL A 108 28.478 -5.410 -0.794 1.00 0.00 C ATOM 1809 C VAL A 108 28.773 -3.993 -0.298 1.00 0.00 C ATOM 1810 O VAL A 108 29.847 -3.453 -0.556 1.00 0.00 O ATOM 1811 CB VAL A 108 27.424 -5.448 -1.903 1.00 0.00 C ATOM 1812 CG1 VAL A 108 27.135 -4.042 -2.432 1.00 0.00 C ATOM 1813 CG2 VAL A 108 27.854 -6.382 -3.035 1.00 0.00 C ATOM 0 H VAL A 108 27.563 -5.724 1.065 1.00 0.00 H new ATOM 0 HA VAL A 108 29.399 -5.802 -1.225 1.00 0.00 H new ATOM 0 HB VAL A 108 26.502 -5.842 -1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 108 26.383 -4.097 -3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 108 26.765 -3.416 -1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 108 28.051 -3.609 -2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 108 27.088 -6.391 -3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 108 28.795 -6.031 -3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 108 27.986 -7.391 -2.644 1.00 0.00 H new ATOM 1823 N ASP A 109 27.801 -3.432 0.406 1.00 0.00 N ATOM 1824 CA ASP A 109 27.943 -2.088 0.940 1.00 0.00 C ATOM 1825 C ASP A 109 27.049 -1.937 2.172 1.00 0.00 C ATOM 1826 O ASP A 109 26.010 -1.282 2.113 1.00 0.00 O ATOM 1827 CB ASP A 109 27.513 -1.039 -0.087 1.00 0.00 C ATOM 1828 CG ASP A 109 28.056 0.370 0.162 1.00 0.00 C ATOM 1829 OD1 ASP A 109 29.293 0.486 0.296 1.00 0.00 O ATOM 1830 OD2 ASP A 109 27.221 1.299 0.213 1.00 0.00 O ATOM 0 H ASP A 109 26.912 -3.884 0.619 1.00 0.00 H new ATOM 0 HA ASP A 109 28.992 -1.935 1.194 1.00 0.00 H new ATOM 0 HB2 ASP A 109 27.835 -1.367 -1.075 1.00 0.00 H new ATOM 0 HB3 ASP A 109 26.424 -0.995 -0.105 1.00 0.00 H new ATOM 1835 N THR A 110 27.487 -2.554 3.260 1.00 0.00 N ATOM 1836 CA THR A 110 26.739 -2.496 4.505 1.00 0.00 C ATOM 1837 C THR A 110 26.366 -1.049 4.836 1.00 0.00 C ATOM 1838 O THR A 110 25.659 -0.794 5.809 1.00 0.00 O ATOM 1839 CB THR A 110 27.578 -3.171 5.592 1.00 0.00 C ATOM 1840 OG1 THR A 110 26.683 -3.297 6.694 1.00 0.00 O ATOM 1841 CG2 THR A 110 28.693 -2.266 6.119 1.00 0.00 C ATOM 0 H THR A 110 28.350 -3.096 3.305 1.00 0.00 H new ATOM 0 HA THR A 110 25.793 -3.032 4.424 1.00 0.00 H new ATOM 0 HB THR A 110 28.013 -4.089 5.196 1.00 0.00 H new ATOM 0 HG1 THR A 110 26.070 -2.532 6.707 1.00 0.00 H new ATOM 0 HG21 THR A 110 29.257 -2.794 6.888 1.00 0.00 H new ATOM 0 HG22 THR A 110 29.360 -1.996 5.300 1.00 0.00 H new ATOM 0 HG23 THR A 110 28.257 -1.362 6.545 1.00 0.00 H new TER 1849 THR A 110