USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 750 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 23 HIS : no HD1:sc= -6.92! C(o=-14!,f=-23!) USER MOD Set 1.2: A 24 HIS : no HE2:sc= -6.83! C(o=-14!,f=-15!) USER MOD Set 2.1: A 7 ASN : amide:sc= -3.59! K(o=-3.4!,f=-0.47) USER MOD Set 2.2: A 9 LYS NZ :NH3+ -133:sc= 0.214 (180deg=-0.611!) USER MOD Set 3.1: A 6 MET CE :methyl 148:sc= -0.553 (180deg=-2.05!) USER MOD Set 3.2: A 32 LYS NZ :NH3+ 160:sc= -1.13 (180deg=-1.46!) USER MOD Single : A 11 SER OG : rot -91:sc= -1.17! USER MOD Single : A 14 CYS SG : rot -30:sc= -7.7! USER MOD Single : A 18 THR OG1 : rot 180:sc=-0.00546 USER MOD Single : A 25 THR OG1 : rot 107:sc= -4.83! USER MOD Single : A 28 THR OG1 : rot -140:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -4.85! K(o=-4.8!,f=-2.5) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -3.55! C(o=-3.6!,f=-3.1!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -18.4! C(o=-18!,f=-16!) USER MOD Single : A 48 ASN : amide:sc= -5.41! C(o=-5.4!,f=-6.8!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -145:sc= -9.96! (180deg=-19!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc=0.000665 USER MOD Single : A 67 TYR OH : rot -172:sc= -3.35! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -3.08! C(o=-3.1!,f=-3.8!) USER MOD Single : A 77 MET CE :methyl -160:sc= -3.78! (180deg=-4.1) USER MOD Single : A 80 CYS SG : rot 178:sc= -7.64! USER MOD Single : A 83 SER OG : rot 180:sc= -0.659 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc=-0.000162 X(o=-0.00016,f=-0.11) USER MOD Single : A 104 SER OG : rot 180:sc= -0.0153 USER MOD Single : A 106 GLN : amide:sc= -13.6! C(o=-14!,f=-18!) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.0178 USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 -8.541 -14.076 0.199 1.00 0.00 N ATOM 12 CA LEU A 2 -7.613 -12.976 0.002 1.00 0.00 C ATOM 13 C LEU A 2 -6.200 -13.534 -0.184 1.00 0.00 C ATOM 14 O LEU A 2 -5.834 -14.527 0.442 1.00 0.00 O ATOM 15 CB LEU A 2 -7.730 -11.965 1.144 1.00 0.00 C ATOM 16 CG LEU A 2 -6.428 -11.285 1.574 1.00 0.00 C ATOM 17 CD1 LEU A 2 -6.642 -9.788 1.805 1.00 0.00 C ATOM 18 CD2 LEU A 2 -5.829 -11.974 2.802 1.00 0.00 C ATOM 0 HA LEU A 2 -7.861 -12.426 -0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.439 -11.192 0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.155 -12.473 2.010 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.706 -11.386 0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.702 -9.329 2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.991 -9.324 0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.387 -9.643 2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.905 -11.471 3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.538 -11.925 3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.617 -13.017 2.567 1.00 0.00 H new ATOM 29 N GLY A 3 -5.445 -12.869 -1.047 1.00 0.00 N ATOM 30 CA GLY A 3 -4.080 -13.286 -1.322 1.00 0.00 C ATOM 31 C GLY A 3 -3.077 -12.410 -0.569 1.00 0.00 C ATOM 32 O GLY A 3 -3.459 -11.629 0.301 1.00 0.00 O ATOM 0 H GLY A 3 -5.752 -12.045 -1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -3.949 -14.328 -1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.887 -13.228 -2.393 1.00 0.00 H new ATOM 36 N ILE A 4 -1.813 -12.569 -0.934 1.00 0.00 N ATOM 37 CA ILE A 4 -0.751 -11.802 -0.304 1.00 0.00 C ATOM 38 C ILE A 4 0.601 -12.272 -0.843 1.00 0.00 C ATOM 39 O ILE A 4 0.841 -13.471 -0.966 1.00 0.00 O ATOM 40 CB ILE A 4 -0.865 -11.880 1.220 1.00 0.00 C ATOM 41 CG1 ILE A 4 -0.716 -10.495 1.853 1.00 0.00 C ATOM 42 CG2 ILE A 4 0.137 -12.884 1.795 1.00 0.00 C ATOM 43 CD1 ILE A 4 0.312 -9.653 1.093 1.00 0.00 C ATOM 0 H ILE A 4 -1.501 -13.217 -1.657 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.845 -10.745 -0.555 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.862 -12.242 1.469 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.680 -9.986 1.854 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -0.409 -10.598 2.894 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.035 -12.920 2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.059 -13.872 1.379 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.150 -12.576 1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.399 -8.673 1.563 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.280 -10.153 1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.010 -9.532 0.059 1.00 0.00 H new ATOM 54 N ASP A 5 1.449 -11.301 -1.152 1.00 0.00 N ATOM 55 CA ASP A 5 2.770 -11.600 -1.677 1.00 0.00 C ATOM 56 C ASP A 5 3.782 -10.612 -1.092 1.00 0.00 C ATOM 57 O ASP A 5 3.401 -9.639 -0.444 1.00 0.00 O ATOM 58 CB ASP A 5 2.802 -11.464 -3.201 1.00 0.00 C ATOM 59 CG ASP A 5 3.753 -12.425 -3.917 1.00 0.00 C ATOM 60 OD1 ASP A 5 4.958 -12.160 -4.037 1.00 0.00 O ATOM 61 OD2 ASP A 5 3.202 -13.502 -4.367 1.00 0.00 O ATOM 0 H ASP A 5 1.246 -10.307 -1.049 1.00 0.00 H new ATOM 0 HA ASP A 5 3.018 -12.625 -1.402 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.794 -11.620 -3.586 1.00 0.00 H new ATOM 0 HB3 ASP A 5 3.085 -10.442 -3.453 1.00 0.00 H new ATOM 66 N MET A 6 5.051 -10.897 -1.344 1.00 0.00 N ATOM 67 CA MET A 6 6.119 -10.045 -0.850 1.00 0.00 C ATOM 68 C MET A 6 7.380 -10.197 -1.704 1.00 0.00 C ATOM 69 O MET A 6 7.764 -11.310 -2.059 1.00 0.00 O ATOM 70 CB MET A 6 6.439 -10.414 0.600 1.00 0.00 C ATOM 71 CG MET A 6 5.590 -9.595 1.574 1.00 0.00 C ATOM 72 SD MET A 6 6.144 -9.870 3.248 1.00 0.00 S ATOM 73 CE MET A 6 7.855 -9.381 3.092 1.00 0.00 C ATOM 0 H MET A 6 5.363 -11.705 -1.883 1.00 0.00 H new ATOM 0 HA MET A 6 5.786 -9.009 -0.906 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.256 -11.477 0.757 1.00 0.00 H new ATOM 0 HB3 MET A 6 7.497 -10.240 0.798 1.00 0.00 H new ATOM 0 HG2 MET A 6 5.661 -8.535 1.328 1.00 0.00 H new ATOM 0 HG3 MET A 6 4.541 -9.875 1.479 1.00 0.00 H new ATOM 0 HE1 MET A 6 8.197 -8.948 4.032 1.00 0.00 H new ATOM 0 HE2 MET A 6 8.462 -10.254 2.852 1.00 0.00 H new ATOM 0 HE3 MET A 6 7.951 -8.642 2.296 1.00 0.00 H new ATOM 81 N ASN A 7 7.988 -9.060 -2.011 1.00 0.00 N ATOM 82 CA ASN A 7 9.197 -9.052 -2.817 1.00 0.00 C ATOM 83 C ASN A 7 10.183 -8.032 -2.242 1.00 0.00 C ATOM 84 O ASN A 7 9.847 -7.294 -1.318 1.00 0.00 O ATOM 85 CB ASN A 7 8.893 -8.652 -4.263 1.00 0.00 C ATOM 86 CG ASN A 7 9.182 -9.806 -5.224 1.00 0.00 C ATOM 87 OD1 ASN A 7 8.298 -10.538 -5.640 1.00 0.00 O ATOM 88 ND2 ASN A 7 10.464 -9.929 -5.552 1.00 0.00 N ATOM 0 H ASN A 7 7.666 -8.138 -1.716 1.00 0.00 H new ATOM 0 HA ASN A 7 9.618 -10.057 -2.801 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.848 -8.355 -4.350 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.494 -7.786 -4.538 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.759 -10.670 -6.188 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.153 -9.282 -5.168 1.00 0.00 H new ATOM 94 N VAL A 8 11.378 -8.025 -2.813 1.00 0.00 N ATOM 95 CA VAL A 8 12.414 -7.108 -2.369 1.00 0.00 C ATOM 96 C VAL A 8 13.155 -6.554 -3.587 1.00 0.00 C ATOM 97 O VAL A 8 13.550 -7.308 -4.474 1.00 0.00 O ATOM 98 CB VAL A 8 13.340 -7.810 -1.373 1.00 0.00 C ATOM 99 CG1 VAL A 8 14.797 -7.747 -1.842 1.00 0.00 C ATOM 100 CG2 VAL A 8 13.190 -7.216 0.028 1.00 0.00 C ATOM 0 H VAL A 8 11.652 -8.640 -3.579 1.00 0.00 H new ATOM 0 HA VAL A 8 11.975 -6.260 -1.843 1.00 0.00 H new ATOM 0 HB VAL A 8 13.047 -8.859 -1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.435 -8.253 -1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.889 -8.238 -2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 8 15.105 -6.705 -1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.859 -7.733 0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.444 -6.156 0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.160 -7.335 0.365 1.00 0.00 H new ATOM 110 N LYS A 9 13.320 -5.239 -3.590 1.00 0.00 N ATOM 111 CA LYS A 9 14.006 -4.574 -4.685 1.00 0.00 C ATOM 112 C LYS A 9 14.870 -3.441 -4.126 1.00 0.00 C ATOM 113 O LYS A 9 14.354 -2.387 -3.756 1.00 0.00 O ATOM 114 CB LYS A 9 13.005 -4.118 -5.747 1.00 0.00 C ATOM 115 CG LYS A 9 11.630 -4.748 -5.511 1.00 0.00 C ATOM 116 CD LYS A 9 11.294 -5.758 -6.608 1.00 0.00 C ATOM 117 CE LYS A 9 11.299 -7.186 -6.060 1.00 0.00 C ATOM 118 NZ LYS A 9 12.465 -7.937 -6.577 1.00 0.00 N ATOM 0 H LYS A 9 12.991 -4.617 -2.852 1.00 0.00 H new ATOM 0 HA LYS A 9 14.677 -5.268 -5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.919 -3.032 -5.728 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.370 -4.392 -6.737 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.615 -5.242 -4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.869 -3.968 -5.484 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.315 -5.530 -7.029 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.018 -5.673 -7.419 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.328 -7.163 -4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.377 -7.694 -6.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.154 -8.870 -6.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.898 -7.409 -7.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.163 -8.061 -5.816 1.00 0.00 H new ATOM 127 N GLU A 10 16.169 -3.696 -4.084 1.00 0.00 N ATOM 128 CA GLU A 10 17.108 -2.710 -3.577 1.00 0.00 C ATOM 129 C GLU A 10 16.816 -2.404 -2.106 1.00 0.00 C ATOM 130 O GLU A 10 17.712 -2.015 -1.360 1.00 0.00 O ATOM 131 CB GLU A 10 17.073 -1.434 -4.420 1.00 0.00 C ATOM 132 CG GLU A 10 17.708 -0.262 -3.669 1.00 0.00 C ATOM 133 CD GLU A 10 18.508 0.629 -4.621 1.00 0.00 C ATOM 134 OE1 GLU A 10 18.204 0.686 -5.821 1.00 0.00 O ATOM 135 OE2 GLU A 10 19.478 1.280 -4.072 1.00 0.00 O ATOM 0 H GLU A 10 16.593 -4.571 -4.393 1.00 0.00 H new ATOM 0 HA GLU A 10 18.113 -3.125 -3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.603 -1.599 -5.358 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.042 -1.191 -4.675 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.931 0.326 -3.181 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.362 -0.640 -2.883 1.00 0.00 H new ATOM 141 N SER A 11 15.558 -2.592 -1.735 1.00 0.00 N ATOM 142 CA SER A 11 15.135 -2.341 -0.368 1.00 0.00 C ATOM 143 C SER A 11 13.614 -2.186 -0.311 1.00 0.00 C ATOM 144 O SER A 11 13.040 -2.070 0.771 1.00 0.00 O ATOM 145 CB SER A 11 15.818 -1.095 0.200 1.00 0.00 C ATOM 146 OG SER A 11 16.463 -0.331 -0.816 1.00 0.00 O ATOM 0 H SER A 11 14.818 -2.915 -2.358 1.00 0.00 H new ATOM 0 HA SER A 11 15.430 -3.194 0.243 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.078 -0.475 0.706 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.551 -1.393 0.950 1.00 0.00 H new ATOM 0 HG SER A 11 17.392 -0.628 -0.909 1.00 0.00 H new ATOM 151 N VAL A 12 13.006 -2.189 -1.487 1.00 0.00 N ATOM 152 CA VAL A 12 11.563 -2.049 -1.585 1.00 0.00 C ATOM 153 C VAL A 12 10.920 -3.438 -1.594 1.00 0.00 C ATOM 154 O VAL A 12 11.217 -4.257 -2.462 1.00 0.00 O ATOM 155 CB VAL A 12 11.199 -1.214 -2.814 1.00 0.00 C ATOM 156 CG1 VAL A 12 11.480 -1.987 -4.105 1.00 0.00 C ATOM 157 CG2 VAL A 12 9.741 -0.757 -2.755 1.00 0.00 C ATOM 0 H VAL A 12 13.486 -2.286 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 12 11.172 -1.515 -0.719 1.00 0.00 H new ATOM 0 HB VAL A 12 11.829 -0.324 -2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.213 -1.371 -4.964 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.539 -2.239 -4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.888 -2.902 -4.117 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.509 -0.165 -3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.088 -1.629 -2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.586 -0.151 -1.863 1.00 0.00 H new ATOM 167 N LEU A 13 10.052 -3.659 -0.618 1.00 0.00 N ATOM 168 CA LEU A 13 9.365 -4.934 -0.502 1.00 0.00 C ATOM 169 C LEU A 13 7.998 -4.835 -1.182 1.00 0.00 C ATOM 170 O LEU A 13 7.083 -4.206 -0.653 1.00 0.00 O ATOM 171 CB LEU A 13 9.294 -5.374 0.962 1.00 0.00 C ATOM 172 CG LEU A 13 9.237 -4.251 1.997 1.00 0.00 C ATOM 173 CD1 LEU A 13 10.608 -3.596 2.174 1.00 0.00 C ATOM 174 CD2 LEU A 13 8.156 -3.228 1.638 1.00 0.00 C ATOM 0 H LEU A 13 9.809 -2.977 0.100 1.00 0.00 H new ATOM 0 HA LEU A 13 9.923 -5.716 -1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.413 -6.003 1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.164 -5.995 1.177 1.00 0.00 H new ATOM 0 HG LEU A 13 8.963 -4.687 2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.538 -2.801 2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.328 -4.343 2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.937 -3.177 1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.137 -2.440 2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.376 -2.793 0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.185 -3.722 1.605 1.00 0.00 H new ATOM 185 N CYS A 14 7.902 -5.466 -2.343 1.00 0.00 N ATOM 186 CA CYS A 14 6.662 -5.457 -3.099 1.00 0.00 C ATOM 187 C CYS A 14 5.660 -6.372 -2.393 1.00 0.00 C ATOM 188 O CYS A 14 5.969 -7.526 -2.099 1.00 0.00 O ATOM 189 CB CYS A 14 6.885 -5.872 -4.556 1.00 0.00 C ATOM 190 SG CYS A 14 8.611 -5.517 -5.050 1.00 0.00 S ATOM 0 H CYS A 14 8.663 -5.987 -2.778 1.00 0.00 H new ATOM 0 HA CYS A 14 6.263 -4.443 -3.134 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.675 -6.935 -4.676 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.194 -5.335 -5.206 1.00 0.00 H new ATOM 0 HG CYS A 14 9.051 -4.491 -4.384 1.00 0.00 H new ATOM 195 N ILE A 15 4.482 -5.823 -2.139 1.00 0.00 N ATOM 196 CA ILE A 15 3.433 -6.577 -1.471 1.00 0.00 C ATOM 197 C ILE A 15 2.263 -6.776 -2.436 1.00 0.00 C ATOM 198 O ILE A 15 1.428 -5.889 -2.597 1.00 0.00 O ATOM 199 CB ILE A 15 3.039 -5.897 -0.159 1.00 0.00 C ATOM 200 CG1 ILE A 15 3.904 -6.400 0.999 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.546 -6.075 0.123 1.00 0.00 C ATOM 202 CD1 ILE A 15 5.377 -6.052 0.774 1.00 0.00 C ATOM 0 H ILE A 15 4.230 -4.865 -2.383 1.00 0.00 H new ATOM 0 HA ILE A 15 3.792 -7.568 -1.194 1.00 0.00 H new ATOM 0 HB ILE A 15 3.223 -4.827 -0.259 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.560 -5.957 1.934 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.793 -7.480 1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.292 -5.582 1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.967 -5.632 -0.688 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.314 -7.137 0.196 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.970 -6.421 1.611 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.724 -6.517 -0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.488 -4.970 0.699 1.00 0.00 H new ATOM 213 N ARG A 16 2.239 -7.950 -3.052 1.00 0.00 N ATOM 214 CA ARG A 16 1.186 -8.278 -3.997 1.00 0.00 C ATOM 215 C ARG A 16 0.099 -9.110 -3.311 1.00 0.00 C ATOM 216 O ARG A 16 0.314 -10.278 -2.993 1.00 0.00 O ATOM 217 CB ARG A 16 1.739 -9.059 -5.191 1.00 0.00 C ATOM 218 CG ARG A 16 1.641 -8.237 -6.477 1.00 0.00 C ATOM 219 CD ARG A 16 3.014 -8.092 -7.140 1.00 0.00 C ATOM 220 NE ARG A 16 2.884 -7.347 -8.411 1.00 0.00 N ATOM 221 CZ ARG A 16 2.540 -7.912 -9.589 1.00 0.00 C ATOM 222 NH1 ARG A 16 2.288 -9.236 -9.665 1.00 0.00 N ATOM 223 NH2 ARG A 16 2.456 -7.150 -10.664 1.00 0.00 N ATOM 0 H ARG A 16 2.933 -8.685 -2.914 1.00 0.00 H new ATOM 0 HA ARG A 16 0.760 -7.341 -4.357 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.779 -9.327 -5.005 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.186 -9.991 -5.308 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.948 -8.717 -7.168 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.235 -7.251 -6.253 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.697 -7.569 -6.471 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.442 -9.077 -7.328 1.00 0.00 H new ATOM 0 HE ARG A 16 3.065 -6.343 -8.397 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.357 -9.817 -8.829 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.029 -9.655 -10.558 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.650 -6.151 -10.597 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.198 -7.561 -11.561 1.00 0.00 H new ATOM 233 N LEU A 17 -1.045 -8.474 -3.104 1.00 0.00 N ATOM 234 CA LEU A 17 -2.166 -9.140 -2.462 1.00 0.00 C ATOM 235 C LEU A 17 -3.323 -9.254 -3.457 1.00 0.00 C ATOM 236 O LEU A 17 -3.662 -8.286 -4.134 1.00 0.00 O ATOM 237 CB LEU A 17 -2.540 -8.426 -1.162 1.00 0.00 C ATOM 238 CG LEU A 17 -4.037 -8.238 -0.908 1.00 0.00 C ATOM 239 CD1 LEU A 17 -4.587 -7.058 -1.711 1.00 0.00 C ATOM 240 CD2 LEU A 17 -4.807 -9.530 -1.188 1.00 0.00 C ATOM 0 H LEU A 17 -1.220 -7.505 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.892 -10.155 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.118 -8.987 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.065 -7.445 -1.160 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.176 -8.002 0.147 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.653 -6.947 -1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.067 -6.146 -1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.434 -7.239 -2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.868 -9.369 -1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.663 -9.821 -2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.439 -10.322 -0.536 1.00 0.00 H new ATOM 251 N THR A 18 -3.898 -10.447 -3.512 1.00 0.00 N ATOM 252 CA THR A 18 -5.010 -10.700 -4.412 1.00 0.00 C ATOM 253 C THR A 18 -6.218 -11.222 -3.633 1.00 0.00 C ATOM 254 O THR A 18 -6.170 -12.311 -3.063 1.00 0.00 O ATOM 255 CB THR A 18 -4.527 -11.661 -5.501 1.00 0.00 C ATOM 256 OG1 THR A 18 -3.616 -12.523 -4.824 1.00 0.00 O ATOM 257 CG2 THR A 18 -3.668 -10.964 -6.558 1.00 0.00 C ATOM 0 H THR A 18 -3.615 -11.248 -2.948 1.00 0.00 H new ATOM 0 HA THR A 18 -5.346 -9.782 -4.894 1.00 0.00 H new ATOM 0 HB THR A 18 -5.387 -12.126 -5.983 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.256 -13.180 -5.456 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.352 -11.690 -7.307 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.250 -10.177 -7.039 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.790 -10.527 -6.083 1.00 0.00 H new ATOM 265 N GLY A 19 -7.273 -10.421 -3.633 1.00 0.00 N ATOM 266 CA GLY A 19 -8.492 -10.789 -2.933 1.00 0.00 C ATOM 267 C GLY A 19 -9.383 -9.566 -2.704 1.00 0.00 C ATOM 268 O GLY A 19 -9.935 -9.008 -3.651 1.00 0.00 O ATOM 0 H GLY A 19 -7.309 -9.518 -4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.036 -11.537 -3.511 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.242 -11.246 -1.975 1.00 0.00 H new ATOM 272 N GLU A 20 -9.495 -9.184 -1.440 1.00 0.00 N ATOM 273 CA GLU A 20 -10.308 -8.038 -1.073 1.00 0.00 C ATOM 274 C GLU A 20 -9.624 -7.234 0.035 1.00 0.00 C ATOM 275 O GLU A 20 -8.757 -7.751 0.738 1.00 0.00 O ATOM 276 CB GLU A 20 -11.712 -8.475 -0.647 1.00 0.00 C ATOM 277 CG GLU A 20 -12.723 -8.244 -1.772 1.00 0.00 C ATOM 278 CD GLU A 20 -12.923 -9.516 -2.599 1.00 0.00 C ATOM 279 OE1 GLU A 20 -11.939 -10.151 -3.008 1.00 0.00 O ATOM 280 OE2 GLU A 20 -14.153 -9.840 -2.811 1.00 0.00 O ATOM 0 H GLU A 20 -9.035 -9.649 -0.657 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.413 -7.397 -1.948 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.701 -9.530 -0.374 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.016 -7.919 0.240 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.676 -7.927 -1.350 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.376 -7.437 -2.417 1.00 0.00 H new ATOM 286 N LEU A 21 -10.041 -5.982 0.157 1.00 0.00 N ATOM 287 CA LEU A 21 -9.479 -5.103 1.168 1.00 0.00 C ATOM 288 C LEU A 21 -10.609 -4.536 2.029 1.00 0.00 C ATOM 289 O LEU A 21 -11.216 -3.525 1.678 1.00 0.00 O ATOM 290 CB LEU A 21 -8.605 -4.027 0.517 1.00 0.00 C ATOM 291 CG LEU A 21 -8.214 -2.849 1.410 1.00 0.00 C ATOM 292 CD1 LEU A 21 -9.186 -1.681 1.232 1.00 0.00 C ATOM 293 CD2 LEU A 21 -8.103 -3.283 2.873 1.00 0.00 C ATOM 0 H LEU A 21 -10.761 -5.556 -0.427 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.819 -5.660 1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.693 -4.500 0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.132 -3.637 -0.354 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.229 -2.499 1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.886 -0.856 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.173 -1.352 0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.193 -2.002 1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.824 -2.426 3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.063 -3.673 3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.343 -4.059 2.966 1.00 0.00 H new ATOM 304 N ASP A 22 -10.858 -5.212 3.141 1.00 0.00 N ATOM 305 CA ASP A 22 -11.904 -4.789 4.056 1.00 0.00 C ATOM 306 C ASP A 22 -11.432 -4.997 5.496 1.00 0.00 C ATOM 307 O ASP A 22 -10.443 -5.688 5.735 1.00 0.00 O ATOM 308 CB ASP A 22 -13.179 -5.611 3.854 1.00 0.00 C ATOM 309 CG ASP A 22 -13.170 -6.525 2.627 1.00 0.00 C ATOM 310 OD1 ASP A 22 -13.542 -7.706 2.707 1.00 0.00 O ATOM 311 OD2 ASP A 22 -12.755 -5.972 1.538 1.00 0.00 O ATOM 0 H ASP A 22 -10.353 -6.050 3.429 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.117 -3.738 3.860 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.345 -6.221 4.742 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.025 -4.928 3.774 1.00 0.00 H new ATOM 316 N HIS A 23 -12.161 -4.386 6.419 1.00 0.00 N ATOM 317 CA HIS A 23 -11.829 -4.495 7.829 1.00 0.00 C ATOM 318 C HIS A 23 -11.430 -5.936 8.152 1.00 0.00 C ATOM 319 O HIS A 23 -10.710 -6.184 9.118 1.00 0.00 O ATOM 320 CB HIS A 23 -12.980 -3.989 8.700 1.00 0.00 C ATOM 321 CG HIS A 23 -13.960 -5.063 9.109 1.00 0.00 C ATOM 322 ND1 HIS A 23 -13.953 -5.644 10.365 1.00 0.00 N ATOM 323 CD2 HIS A 23 -14.974 -5.656 8.415 1.00 0.00 C ATOM 324 CE1 HIS A 23 -14.924 -6.545 10.414 1.00 0.00 C ATOM 325 NE2 HIS A 23 -15.555 -6.551 9.205 1.00 0.00 N ATOM 0 H HIS A 23 -12.981 -3.814 6.217 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.974 -3.858 8.055 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -12.567 -3.528 9.597 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -13.516 -3.210 8.159 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -15.256 -5.435 7.396 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -15.172 -7.165 11.262 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -16.344 -7.145 8.950 1.00 0.00 H new ATOM 332 N HIS A 24 -11.916 -6.850 7.325 1.00 0.00 N ATOM 333 CA HIS A 24 -11.619 -8.260 7.510 1.00 0.00 C ATOM 334 C HIS A 24 -10.306 -8.605 6.807 1.00 0.00 C ATOM 335 O HIS A 24 -9.383 -9.131 7.429 1.00 0.00 O ATOM 336 CB HIS A 24 -12.788 -9.128 7.040 1.00 0.00 C ATOM 337 CG HIS A 24 -13.927 -9.212 8.029 1.00 0.00 C ATOM 338 ND1 HIS A 24 -13.810 -9.841 9.256 1.00 0.00 N ATOM 339 CD2 HIS A 24 -15.205 -8.740 7.959 1.00 0.00 C ATOM 340 CE1 HIS A 24 -14.970 -9.748 9.887 1.00 0.00 C ATOM 341 NE2 HIS A 24 -15.834 -9.065 9.081 1.00 0.00 N ATOM 0 H HIS A 24 -12.514 -6.641 6.525 1.00 0.00 H new ATOM 0 HA HIS A 24 -11.489 -8.471 8.571 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -13.167 -8.731 6.098 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -12.421 -10.134 6.837 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -12.972 -10.299 9.614 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -15.632 -8.194 7.131 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -15.193 -10.143 10.867 1.00 0.00 H new ATOM 348 N THR A 25 -10.261 -8.296 5.520 1.00 0.00 N ATOM 349 CA THR A 25 -9.075 -8.567 4.725 1.00 0.00 C ATOM 350 C THR A 25 -8.007 -7.501 4.982 1.00 0.00 C ATOM 351 O THR A 25 -6.906 -7.577 4.438 1.00 0.00 O ATOM 352 CB THR A 25 -9.500 -8.660 3.259 1.00 0.00 C ATOM 353 OG1 THR A 25 -9.662 -7.302 2.857 1.00 0.00 O ATOM 354 CG2 THR A 25 -10.893 -9.268 3.089 1.00 0.00 C ATOM 0 H THR A 25 -11.027 -7.860 5.007 1.00 0.00 H new ATOM 0 HA THR A 25 -8.618 -9.516 5.006 1.00 0.00 H new ATOM 0 HB THR A 25 -8.774 -9.259 2.709 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.920 -7.043 2.272 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.145 -9.310 2.029 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.904 -10.275 3.505 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.625 -8.652 3.611 1.00 0.00 H new ATOM 362 N ALA A 26 -8.369 -6.534 5.811 1.00 0.00 N ATOM 363 CA ALA A 26 -7.455 -5.455 6.147 1.00 0.00 C ATOM 364 C ALA A 26 -6.461 -5.944 7.202 1.00 0.00 C ATOM 365 O ALA A 26 -5.294 -5.556 7.188 1.00 0.00 O ATOM 366 CB ALA A 26 -8.253 -4.238 6.618 1.00 0.00 C ATOM 0 H ALA A 26 -9.283 -6.475 6.260 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.883 -5.150 5.271 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.568 -3.429 6.870 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.923 -3.912 5.822 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.838 -4.505 7.498 1.00 0.00 H new ATOM 372 N GLU A 27 -6.960 -6.790 8.093 1.00 0.00 N ATOM 373 CA GLU A 27 -6.129 -7.336 9.152 1.00 0.00 C ATOM 374 C GLU A 27 -4.825 -7.886 8.574 1.00 0.00 C ATOM 375 O GLU A 27 -3.742 -7.579 9.073 1.00 0.00 O ATOM 376 CB GLU A 27 -6.880 -8.415 9.936 1.00 0.00 C ATOM 377 CG GLU A 27 -6.950 -8.063 11.423 1.00 0.00 C ATOM 378 CD GLU A 27 -8.294 -7.420 11.773 1.00 0.00 C ATOM 379 OE1 GLU A 27 -9.350 -7.940 11.382 1.00 0.00 O ATOM 380 OE2 GLU A 27 -8.216 -6.342 12.476 1.00 0.00 O ATOM 0 H GLU A 27 -7.929 -7.110 8.103 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.884 -6.532 9.846 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.888 -8.524 9.537 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.381 -9.376 9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.807 -8.963 12.020 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.139 -7.380 11.677 1.00 0.00 H new ATOM 386 N THR A 28 -4.968 -8.689 7.531 1.00 0.00 N ATOM 387 CA THR A 28 -3.815 -9.285 6.880 1.00 0.00 C ATOM 388 C THR A 28 -2.715 -8.239 6.680 1.00 0.00 C ATOM 389 O THR A 28 -1.545 -8.506 6.948 1.00 0.00 O ATOM 390 CB THR A 28 -4.287 -9.925 5.573 1.00 0.00 C ATOM 391 OG1 THR A 28 -4.362 -11.316 5.875 1.00 0.00 O ATOM 392 CG2 THR A 28 -3.235 -9.841 4.465 1.00 0.00 C ATOM 0 H THR A 28 -5.867 -8.941 7.120 1.00 0.00 H new ATOM 0 HA THR A 28 -3.372 -10.065 7.499 1.00 0.00 H new ATOM 0 HB THR A 28 -5.203 -9.437 5.241 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.032 -11.835 5.112 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.621 -10.310 3.560 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.004 -8.795 4.262 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.330 -10.358 4.783 1.00 0.00 H new ATOM 400 N LEU A 29 -3.131 -7.072 6.213 1.00 0.00 N ATOM 401 CA LEU A 29 -2.197 -5.985 5.976 1.00 0.00 C ATOM 402 C LEU A 29 -1.754 -5.397 7.317 1.00 0.00 C ATOM 403 O LEU A 29 -0.648 -4.871 7.433 1.00 0.00 O ATOM 404 CB LEU A 29 -2.805 -4.954 5.023 1.00 0.00 C ATOM 405 CG LEU A 29 -1.862 -4.382 3.962 1.00 0.00 C ATOM 406 CD1 LEU A 29 -0.414 -4.386 4.456 1.00 0.00 C ATOM 407 CD2 LEU A 29 -2.018 -5.126 2.633 1.00 0.00 C ATOM 0 H LEU A 29 -4.103 -6.855 5.992 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.301 -6.355 5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.654 -5.413 4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.197 -4.127 5.616 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.137 -3.343 3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.235 -3.975 3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.335 -3.778 5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.109 -5.408 4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.337 -4.701 1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.784 -6.181 2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.044 -5.027 2.279 1.00 0.00 H new ATOM 418 N LYS A 30 -2.640 -5.505 8.295 1.00 0.00 N ATOM 419 CA LYS A 30 -2.353 -4.990 9.625 1.00 0.00 C ATOM 420 C LYS A 30 -1.013 -5.547 10.104 1.00 0.00 C ATOM 421 O LYS A 30 -0.197 -4.816 10.664 1.00 0.00 O ATOM 422 CB LYS A 30 -3.517 -5.284 10.575 1.00 0.00 C ATOM 423 CG LYS A 30 -3.552 -4.276 11.725 1.00 0.00 C ATOM 424 CD LYS A 30 -2.751 -4.786 12.925 1.00 0.00 C ATOM 425 CE LYS A 30 -1.480 -3.959 13.126 1.00 0.00 C ATOM 426 NZ LYS A 30 -1.524 -3.247 14.424 1.00 0.00 N ATOM 0 H LYS A 30 -3.557 -5.941 8.195 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.257 -3.905 9.601 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.458 -5.248 10.026 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.420 -6.294 10.974 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.144 -3.322 11.390 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.585 -4.094 12.023 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.366 -4.739 13.824 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.488 -5.833 12.773 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.606 -4.610 13.091 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.375 -3.240 12.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.654 -2.691 14.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.347 -2.611 14.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.602 -3.939 15.197 1.00 0.00 H new ATOM 435 N GLN A 31 -0.824 -6.837 9.867 1.00 0.00 N ATOM 436 CA GLN A 31 0.405 -7.500 10.268 1.00 0.00 C ATOM 437 C GLN A 31 1.609 -6.847 9.585 1.00 0.00 C ATOM 438 O GLN A 31 2.678 -6.731 10.181 1.00 0.00 O ATOM 439 CB GLN A 31 0.346 -8.998 9.959 1.00 0.00 C ATOM 440 CG GLN A 31 0.663 -9.268 8.488 1.00 0.00 C ATOM 441 CD GLN A 31 -0.004 -10.558 8.009 1.00 0.00 C ATOM 442 OE1 GLN A 31 0.626 -11.449 7.465 1.00 0.00 O ATOM 443 NE2 GLN A 31 -1.313 -10.609 8.243 1.00 0.00 N ATOM 0 H GLN A 31 -1.502 -7.441 9.402 1.00 0.00 H new ATOM 0 HA GLN A 31 0.519 -7.388 11.346 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.056 -9.531 10.591 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.645 -9.383 10.197 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.321 -8.431 7.880 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.742 -9.341 8.353 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.780 -9.827 8.703 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.850 -11.430 7.962 1.00 0.00 H new ATOM 450 N LYS A 32 1.393 -6.438 8.343 1.00 0.00 N ATOM 451 CA LYS A 32 2.447 -5.799 7.572 1.00 0.00 C ATOM 452 C LYS A 32 2.766 -4.435 8.186 1.00 0.00 C ATOM 453 O LYS A 32 3.824 -3.865 7.924 1.00 0.00 O ATOM 454 CB LYS A 32 2.063 -5.733 6.092 1.00 0.00 C ATOM 455 CG LYS A 32 3.208 -5.160 5.255 1.00 0.00 C ATOM 456 CD LYS A 32 4.425 -6.086 5.282 1.00 0.00 C ATOM 457 CE LYS A 32 5.035 -6.231 3.887 1.00 0.00 C ATOM 458 NZ LYS A 32 6.486 -6.505 3.981 1.00 0.00 N ATOM 0 H LYS A 32 0.505 -6.536 7.852 1.00 0.00 H new ATOM 0 HA LYS A 32 3.362 -6.390 7.614 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.809 -6.731 5.733 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.174 -5.115 5.970 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.876 -5.020 4.226 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.486 -4.178 5.637 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.172 -5.690 5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.132 -7.066 5.658 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.540 -7.040 3.350 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.868 -5.319 3.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.818 -6.928 3.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.997 -5.616 4.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.665 -7.164 4.765 1.00 0.00 H new ATOM 467 N VAL A 33 1.833 -3.950 8.993 1.00 0.00 N ATOM 468 CA VAL A 33 2.001 -2.664 9.646 1.00 0.00 C ATOM 469 C VAL A 33 3.092 -2.778 10.713 1.00 0.00 C ATOM 470 O VAL A 33 4.073 -2.037 10.685 1.00 0.00 O ATOM 471 CB VAL A 33 0.662 -2.183 10.209 1.00 0.00 C ATOM 472 CG1 VAL A 33 0.758 -0.733 10.687 1.00 0.00 C ATOM 473 CG2 VAL A 33 -0.456 -2.348 9.179 1.00 0.00 C ATOM 0 H VAL A 33 0.957 -4.426 9.209 1.00 0.00 H new ATOM 0 HA VAL A 33 2.325 -1.911 8.928 1.00 0.00 H new ATOM 0 HB VAL A 33 0.418 -2.804 11.071 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.207 -0.416 11.082 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.513 -0.657 11.469 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.036 -0.092 9.851 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.397 -1.999 9.604 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.221 -1.763 8.290 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.549 -3.400 8.908 1.00 0.00 H new ATOM 483 N THR A 34 2.885 -3.714 11.628 1.00 0.00 N ATOM 484 CA THR A 34 3.838 -3.935 12.702 1.00 0.00 C ATOM 485 C THR A 34 5.248 -4.109 12.136 1.00 0.00 C ATOM 486 O THR A 34 6.212 -3.576 12.684 1.00 0.00 O ATOM 487 CB THR A 34 3.359 -5.135 13.520 1.00 0.00 C ATOM 488 OG1 THR A 34 4.520 -5.559 14.228 1.00 0.00 O ATOM 489 CG2 THR A 34 2.999 -6.336 12.642 1.00 0.00 C ATOM 0 H THR A 34 2.071 -4.328 11.647 1.00 0.00 H new ATOM 0 HA THR A 34 3.893 -3.072 13.366 1.00 0.00 H new ATOM 0 HB THR A 34 2.492 -4.846 14.114 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.298 -6.334 14.786 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.665 -7.160 13.272 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.200 -6.058 11.955 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.875 -6.646 12.073 1.00 0.00 H new ATOM 497 N GLN A 35 5.325 -4.858 11.045 1.00 0.00 N ATOM 498 CA GLN A 35 6.602 -5.109 10.399 1.00 0.00 C ATOM 499 C GLN A 35 7.230 -3.794 9.934 1.00 0.00 C ATOM 500 O GLN A 35 8.416 -3.556 10.156 1.00 0.00 O ATOM 501 CB GLN A 35 6.442 -6.084 9.229 1.00 0.00 C ATOM 502 CG GLN A 35 6.271 -7.518 9.732 1.00 0.00 C ATOM 503 CD GLN A 35 5.431 -8.345 8.755 1.00 0.00 C ATOM 504 OE1 GLN A 35 5.925 -9.203 8.043 1.00 0.00 O ATOM 505 NE2 GLN A 35 4.137 -8.038 8.762 1.00 0.00 N ATOM 0 H GLN A 35 4.524 -5.299 10.593 1.00 0.00 H new ATOM 0 HA GLN A 35 7.270 -5.571 11.126 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.578 -5.799 8.629 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.315 -6.024 8.579 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.249 -7.982 9.859 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.793 -7.509 10.711 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.789 -7.308 9.384 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.492 -8.533 8.146 1.00 0.00 H new ATOM 512 N SER A 36 6.406 -2.973 9.298 1.00 0.00 N ATOM 513 CA SER A 36 6.866 -1.688 8.800 1.00 0.00 C ATOM 514 C SER A 36 6.999 -0.697 9.958 1.00 0.00 C ATOM 515 O SER A 36 7.746 0.276 9.864 1.00 0.00 O ATOM 516 CB SER A 36 5.915 -1.138 7.737 1.00 0.00 C ATOM 517 OG SER A 36 6.617 -0.582 6.628 1.00 0.00 O ATOM 0 H SER A 36 5.422 -3.173 9.116 1.00 0.00 H new ATOM 0 HA SER A 36 7.842 -1.829 8.337 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.261 -1.937 7.388 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.277 -0.374 8.182 1.00 0.00 H new ATOM 0 HG SER A 36 5.974 -0.243 5.970 1.00 0.00 H new ATOM 522 N LEU A 37 6.264 -0.977 11.023 1.00 0.00 N ATOM 523 CA LEU A 37 6.290 -0.121 12.198 1.00 0.00 C ATOM 524 C LEU A 37 7.741 0.111 12.621 1.00 0.00 C ATOM 525 O LEU A 37 8.090 1.195 13.087 1.00 0.00 O ATOM 526 CB LEU A 37 5.413 -0.706 13.307 1.00 0.00 C ATOM 527 CG LEU A 37 4.225 0.153 13.745 1.00 0.00 C ATOM 528 CD1 LEU A 37 4.654 1.603 13.978 1.00 0.00 C ATOM 529 CD2 LEU A 37 3.074 0.050 12.743 1.00 0.00 C ATOM 0 H LEU A 37 5.646 -1.785 11.098 1.00 0.00 H new ATOM 0 HA LEU A 37 5.864 0.855 11.968 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.034 -1.672 12.972 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.041 -0.895 14.178 1.00 0.00 H new ATOM 0 HG LEU A 37 3.858 -0.232 14.697 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.791 2.192 14.288 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.416 1.636 14.757 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.061 2.015 13.055 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.243 0.670 13.079 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.411 0.393 11.765 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.747 -0.987 12.670 1.00 0.00 H new ATOM 540 N GLU A 38 8.550 -0.923 12.442 1.00 0.00 N ATOM 541 CA GLU A 38 9.956 -0.845 12.800 1.00 0.00 C ATOM 542 C GLU A 38 10.713 -2.053 12.244 1.00 0.00 C ATOM 543 O GLU A 38 10.998 -3.000 12.974 1.00 0.00 O ATOM 544 CB GLU A 38 10.131 -0.739 14.316 1.00 0.00 C ATOM 545 CG GLU A 38 9.942 0.703 14.791 1.00 0.00 C ATOM 546 CD GLU A 38 10.865 1.018 15.969 1.00 0.00 C ATOM 547 OE1 GLU A 38 11.943 1.598 15.774 1.00 0.00 O ATOM 548 OE2 GLU A 38 10.427 0.639 17.122 1.00 0.00 O ATOM 0 H GLU A 38 8.258 -1.820 12.053 1.00 0.00 H new ATOM 0 HA GLU A 38 10.374 0.058 12.355 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.411 -1.387 14.815 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.124 -1.091 14.596 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.147 1.390 13.970 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.904 0.859 15.086 1.00 0.00 H new ATOM 554 N LYS A 39 11.017 -1.979 10.957 1.00 0.00 N ATOM 555 CA LYS A 39 11.735 -3.055 10.294 1.00 0.00 C ATOM 556 C LYS A 39 13.178 -3.088 10.804 1.00 0.00 C ATOM 557 O LYS A 39 13.672 -4.138 11.208 1.00 0.00 O ATOM 558 CB LYS A 39 11.623 -2.918 8.775 1.00 0.00 C ATOM 559 CG LYS A 39 12.494 -3.956 8.064 1.00 0.00 C ATOM 560 CD LYS A 39 11.871 -5.349 8.156 1.00 0.00 C ATOM 561 CE LYS A 39 12.411 -6.114 9.366 1.00 0.00 C ATOM 562 NZ LYS A 39 12.517 -7.559 9.061 1.00 0.00 N ATOM 0 H LYS A 39 10.779 -1.191 10.355 1.00 0.00 H new ATOM 0 HA LYS A 39 11.287 -4.019 10.537 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.583 -3.041 8.471 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.927 -1.916 8.474 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.617 -3.677 7.017 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.489 -3.968 8.510 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.787 -5.262 8.231 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.084 -5.907 7.244 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.389 -5.722 9.644 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.753 -5.964 10.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.885 -8.063 9.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.577 -7.932 8.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.163 -7.698 8.258 1.00 0.00 H new ATOM 571 N ASP A 40 13.812 -1.925 10.767 1.00 0.00 N ATOM 572 CA ASP A 40 15.188 -1.808 11.219 1.00 0.00 C ATOM 573 C ASP A 40 15.883 -0.689 10.441 1.00 0.00 C ATOM 574 O ASP A 40 15.979 0.440 10.919 1.00 0.00 O ATOM 575 CB ASP A 40 15.961 -3.105 10.974 1.00 0.00 C ATOM 576 CG ASP A 40 16.017 -4.059 12.168 1.00 0.00 C ATOM 577 OD1 ASP A 40 15.760 -5.266 12.035 1.00 0.00 O ATOM 578 OD2 ASP A 40 16.344 -3.512 13.290 1.00 0.00 O ATOM 0 H ASP A 40 13.398 -1.055 10.431 1.00 0.00 H new ATOM 0 HA ASP A 40 15.174 -1.593 12.288 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.507 -3.627 10.132 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.980 -2.853 10.681 1.00 0.00 H new ATOM 583 N ASP A 41 16.351 -1.042 9.252 1.00 0.00 N ATOM 584 CA ASP A 41 17.034 -0.081 8.402 1.00 0.00 C ATOM 585 C ASP A 41 16.010 0.887 7.807 1.00 0.00 C ATOM 586 O ASP A 41 15.182 1.441 8.530 1.00 0.00 O ATOM 587 CB ASP A 41 17.750 -0.782 7.245 1.00 0.00 C ATOM 588 CG ASP A 41 18.794 0.070 6.520 1.00 0.00 C ATOM 589 OD1 ASP A 41 18.954 -0.023 5.294 1.00 0.00 O ATOM 590 OD2 ASP A 41 19.468 0.868 7.278 1.00 0.00 O ATOM 0 H ASP A 41 16.271 -1.979 8.858 1.00 0.00 H new ATOM 0 HA ASP A 41 17.766 0.449 9.012 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.237 -1.678 7.629 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.004 -1.110 6.521 1.00 0.00 H new ATOM 595 N ILE A 42 16.100 1.063 6.497 1.00 0.00 N ATOM 596 CA ILE A 42 15.191 1.955 5.797 1.00 0.00 C ATOM 597 C ILE A 42 14.869 1.371 4.421 1.00 0.00 C ATOM 598 O ILE A 42 15.410 1.818 3.411 1.00 0.00 O ATOM 599 CB ILE A 42 15.766 3.372 5.745 1.00 0.00 C ATOM 600 CG1 ILE A 42 15.596 4.081 7.090 1.00 0.00 C ATOM 601 CG2 ILE A 42 15.152 4.170 4.594 1.00 0.00 C ATOM 602 CD1 ILE A 42 14.116 4.286 7.418 1.00 0.00 C ATOM 0 H ILE A 42 16.789 0.603 5.902 1.00 0.00 H new ATOM 0 HA ILE A 42 14.248 2.038 6.337 1.00 0.00 H new ATOM 0 HB ILE A 42 16.836 3.301 5.552 1.00 0.00 H new ATOM 0 HG12 ILE A 42 16.069 3.494 7.877 1.00 0.00 H new ATOM 0 HG13 ILE A 42 16.103 5.045 7.064 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.578 5.173 4.579 1.00 0.00 H new ATOM 0 HG22 ILE A 42 15.367 3.671 3.649 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.073 4.236 4.732 1.00 0.00 H new ATOM 0 HD11 ILE A 42 14.023 4.792 8.379 1.00 0.00 H new ATOM 0 HD12 ILE A 42 13.652 4.894 6.641 1.00 0.00 H new ATOM 0 HD13 ILE A 42 13.617 3.318 7.468 1.00 0.00 H new ATOM 613 N ARG A 43 13.989 0.380 4.425 1.00 0.00 N ATOM 614 CA ARG A 43 13.588 -0.270 3.188 1.00 0.00 C ATOM 615 C ARG A 43 12.531 0.568 2.467 1.00 0.00 C ATOM 616 O ARG A 43 12.316 1.730 2.806 1.00 0.00 O ATOM 617 CB ARG A 43 13.026 -1.667 3.458 1.00 0.00 C ATOM 618 CG ARG A 43 14.150 -2.699 3.564 1.00 0.00 C ATOM 619 CD ARG A 43 13.913 -3.868 2.605 1.00 0.00 C ATOM 620 NE ARG A 43 13.988 -5.150 3.340 1.00 0.00 N ATOM 621 CZ ARG A 43 13.229 -5.452 4.415 1.00 0.00 C ATOM 622 NH1 ARG A 43 12.329 -4.564 4.889 1.00 0.00 N ATOM 623 NH2 ARG A 43 13.379 -6.627 4.996 1.00 0.00 N ATOM 0 H ARG A 43 13.543 0.011 5.265 1.00 0.00 H new ATOM 0 HA ARG A 43 14.473 -0.363 2.559 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.448 -1.658 4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.343 -1.949 2.657 1.00 0.00 H new ATOM 0 HG2 ARG A 43 15.105 -2.226 3.337 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.213 -3.070 4.587 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.937 -3.768 2.131 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.657 -3.852 1.809 1.00 0.00 H new ATOM 0 HE ARG A 43 14.655 -5.850 3.014 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.219 -3.658 4.434 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.759 -4.800 5.702 1.00 0.00 H new ATOM 0 HH21 ARG A 43 14.061 -7.292 4.632 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.813 -6.870 5.809 1.00 0.00 H new ATOM 633 N HIS A 44 11.896 -0.056 1.485 1.00 0.00 N ATOM 634 CA HIS A 44 10.866 0.617 0.713 1.00 0.00 C ATOM 635 C HIS A 44 9.660 -0.308 0.549 1.00 0.00 C ATOM 636 O HIS A 44 9.779 -1.522 0.708 1.00 0.00 O ATOM 637 CB HIS A 44 11.424 1.109 -0.625 1.00 0.00 C ATOM 638 CG HIS A 44 12.429 2.227 -0.498 1.00 0.00 C ATOM 639 ND1 HIS A 44 12.152 3.413 0.160 1.00 0.00 N ATOM 640 CD2 HIS A 44 13.712 2.330 -0.953 1.00 0.00 C ATOM 641 CE1 HIS A 44 13.226 4.186 0.099 1.00 0.00 C ATOM 642 NE2 HIS A 44 14.191 3.513 -0.591 1.00 0.00 N ATOM 0 H HIS A 44 12.075 -1.021 1.207 1.00 0.00 H new ATOM 0 HA HIS A 44 10.528 1.505 1.247 1.00 0.00 H new ATOM 0 HB2 HIS A 44 11.892 0.271 -1.142 1.00 0.00 H new ATOM 0 HB3 HIS A 44 10.597 1.447 -1.249 1.00 0.00 H new ATOM 0 HD2 HIS A 44 14.246 1.576 -1.513 1.00 0.00 H new ATOM 0 HE1 HIS A 44 13.321 5.175 0.521 1.00 0.00 H new ATOM 0 HE2 HIS A 44 15.127 3.862 -0.795 1.00 0.00 H new ATOM 649 N ILE A 45 8.526 0.300 0.233 1.00 0.00 N ATOM 650 CA ILE A 45 7.298 -0.455 0.045 1.00 0.00 C ATOM 651 C ILE A 45 6.932 -0.463 -1.440 1.00 0.00 C ATOM 652 O ILE A 45 7.377 0.397 -2.197 1.00 0.00 O ATOM 653 CB ILE A 45 6.191 0.090 0.949 1.00 0.00 C ATOM 654 CG1 ILE A 45 5.997 1.592 0.733 1.00 0.00 C ATOM 655 CG2 ILE A 45 6.465 -0.248 2.416 1.00 0.00 C ATOM 656 CD1 ILE A 45 6.431 2.004 -0.675 1.00 0.00 C ATOM 0 H ILE A 45 8.431 1.307 0.102 1.00 0.00 H new ATOM 0 HA ILE A 45 7.439 -1.494 0.344 1.00 0.00 H new ATOM 0 HB ILE A 45 5.255 -0.398 0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.950 1.853 0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.574 2.147 1.472 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.663 0.151 3.037 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.514 -1.330 2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.414 0.194 2.720 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.283 3.076 -0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.485 1.764 -0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.835 1.465 -1.412 1.00 0.00 H new ATOM 667 N VAL A 46 6.124 -1.446 -1.812 1.00 0.00 N ATOM 668 CA VAL A 46 5.692 -1.576 -3.193 1.00 0.00 C ATOM 669 C VAL A 46 4.389 -2.377 -3.241 1.00 0.00 C ATOM 670 O VAL A 46 4.410 -3.594 -3.419 1.00 0.00 O ATOM 671 CB VAL A 46 6.808 -2.201 -4.033 1.00 0.00 C ATOM 672 CG1 VAL A 46 6.232 -3.097 -5.132 1.00 0.00 C ATOM 673 CG2 VAL A 46 7.717 -1.122 -4.625 1.00 0.00 C ATOM 0 H VAL A 46 5.758 -2.159 -1.181 1.00 0.00 H new ATOM 0 HA VAL A 46 5.488 -0.596 -3.624 1.00 0.00 H new ATOM 0 HB VAL A 46 7.413 -2.826 -3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.047 -3.528 -5.714 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.646 -3.897 -4.679 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.593 -2.505 -5.787 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.502 -1.592 -5.217 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.129 -0.460 -5.261 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.168 -0.544 -3.819 1.00 0.00 H new ATOM 683 N LEU A 47 3.286 -1.661 -3.079 1.00 0.00 N ATOM 684 CA LEU A 47 1.976 -2.289 -3.103 1.00 0.00 C ATOM 685 C LEU A 47 1.552 -2.522 -4.554 1.00 0.00 C ATOM 686 O LEU A 47 2.030 -1.843 -5.462 1.00 0.00 O ATOM 687 CB LEU A 47 0.972 -1.464 -2.294 1.00 0.00 C ATOM 688 CG LEU A 47 0.928 -1.748 -0.791 1.00 0.00 C ATOM 689 CD1 LEU A 47 2.319 -2.094 -0.257 1.00 0.00 C ATOM 690 CD2 LEU A 47 0.296 -0.580 -0.031 1.00 0.00 C ATOM 0 H LEU A 47 3.273 -0.652 -2.931 1.00 0.00 H new ATOM 0 HA LEU A 47 2.014 -3.266 -2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.200 -0.408 -2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.023 -1.634 -2.705 1.00 0.00 H new ATOM 0 HG LEU A 47 0.295 -2.620 -0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.259 -2.291 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.695 -2.980 -0.769 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.995 -1.258 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.277 -0.807 1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.883 0.323 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.722 -0.423 -0.387 1.00 0.00 H new ATOM 701 N ASN A 48 0.659 -3.485 -4.729 1.00 0.00 N ATOM 702 CA ASN A 48 0.165 -3.816 -6.055 1.00 0.00 C ATOM 703 C ASN A 48 -0.928 -4.880 -5.937 1.00 0.00 C ATOM 704 O ASN A 48 -0.648 -6.027 -5.592 1.00 0.00 O ATOM 705 CB ASN A 48 1.283 -4.383 -6.934 1.00 0.00 C ATOM 706 CG ASN A 48 2.588 -4.509 -6.146 1.00 0.00 C ATOM 707 OD1 ASN A 48 3.619 -3.967 -6.509 1.00 0.00 O ATOM 708 ND2 ASN A 48 2.488 -5.255 -5.049 1.00 0.00 N ATOM 0 H ASN A 48 0.265 -4.047 -3.974 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.222 -2.903 -6.508 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.989 -5.360 -7.317 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.436 -3.735 -7.797 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.305 -5.401 -4.455 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.595 -5.681 -4.801 1.00 0.00 H new ATOM 714 N LEU A 49 -2.150 -4.462 -6.229 1.00 0.00 N ATOM 715 CA LEU A 49 -3.287 -5.365 -6.160 1.00 0.00 C ATOM 716 C LEU A 49 -3.633 -5.850 -7.569 1.00 0.00 C ATOM 717 O LEU A 49 -3.846 -5.044 -8.473 1.00 0.00 O ATOM 718 CB LEU A 49 -4.457 -4.697 -5.435 1.00 0.00 C ATOM 719 CG LEU A 49 -4.808 -5.272 -4.061 1.00 0.00 C ATOM 720 CD1 LEU A 49 -4.745 -4.188 -2.981 1.00 0.00 C ATOM 721 CD2 LEU A 49 -6.170 -5.971 -4.090 1.00 0.00 C ATOM 0 H LEU A 49 -2.379 -3.510 -6.514 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.038 -6.248 -5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.229 -3.638 -5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.339 -4.764 -6.071 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.063 -6.026 -3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.999 -4.623 -2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.738 -3.774 -2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.454 -3.395 -3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.395 -6.371 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.940 -5.255 -4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.145 -6.786 -4.814 1.00 0.00 H new ATOM 732 N GLU A 50 -3.680 -7.167 -7.711 1.00 0.00 N ATOM 733 CA GLU A 50 -3.998 -7.770 -8.995 1.00 0.00 C ATOM 734 C GLU A 50 -5.455 -8.233 -9.018 1.00 0.00 C ATOM 735 O GLU A 50 -6.053 -8.362 -10.086 1.00 0.00 O ATOM 736 CB GLU A 50 -3.049 -8.929 -9.305 1.00 0.00 C ATOM 737 CG GLU A 50 -2.347 -8.718 -10.649 1.00 0.00 C ATOM 738 CD GLU A 50 -3.078 -9.459 -11.771 1.00 0.00 C ATOM 739 OE1 GLU A 50 -2.482 -10.321 -12.435 1.00 0.00 O ATOM 740 OE2 GLU A 50 -4.308 -9.112 -11.943 1.00 0.00 O ATOM 0 H GLU A 50 -3.503 -7.833 -6.959 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.865 -7.017 -9.771 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.306 -9.017 -8.512 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.607 -9.865 -9.325 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.305 -7.653 -10.878 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.318 -9.071 -10.585 1.00 0.00 H new ATOM 746 N ASP A 51 -5.986 -8.470 -7.828 1.00 0.00 N ATOM 747 CA ASP A 51 -7.363 -8.917 -7.697 1.00 0.00 C ATOM 748 C ASP A 51 -8.156 -7.884 -6.894 1.00 0.00 C ATOM 749 O ASP A 51 -8.648 -8.182 -5.807 1.00 0.00 O ATOM 750 CB ASP A 51 -7.441 -10.254 -6.956 1.00 0.00 C ATOM 751 CG ASP A 51 -8.858 -10.761 -6.685 1.00 0.00 C ATOM 752 OD1 ASP A 51 -9.115 -11.431 -5.674 1.00 0.00 O ATOM 753 OD2 ASP A 51 -9.733 -10.438 -7.578 1.00 0.00 O ATOM 0 H ASP A 51 -5.488 -8.361 -6.945 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.775 -9.036 -8.699 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.907 -11.006 -7.537 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.918 -10.156 -6.005 1.00 0.00 H new ATOM 758 N LEU A 52 -8.255 -6.690 -7.461 1.00 0.00 N ATOM 759 CA LEU A 52 -8.980 -5.612 -6.810 1.00 0.00 C ATOM 760 C LEU A 52 -10.466 -5.718 -7.160 1.00 0.00 C ATOM 761 O LEU A 52 -10.875 -5.356 -8.261 1.00 0.00 O ATOM 762 CB LEU A 52 -8.360 -4.259 -7.167 1.00 0.00 C ATOM 763 CG LEU A 52 -8.905 -3.050 -6.404 1.00 0.00 C ATOM 764 CD1 LEU A 52 -10.320 -3.319 -5.888 1.00 0.00 C ATOM 765 CD2 LEU A 52 -7.954 -2.636 -5.279 1.00 0.00 C ATOM 0 H LEU A 52 -7.846 -6.446 -8.363 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.900 -5.699 -5.726 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.285 -4.318 -6.996 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.504 -4.086 -8.233 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.969 -2.211 -7.096 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.683 -2.444 -5.349 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.981 -3.527 -6.730 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.305 -4.178 -5.217 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.366 -1.775 -4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.834 -3.464 -4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.984 -2.374 -5.701 1.00 0.00 H new ATOM 776 N SER A 53 -11.231 -6.217 -6.200 1.00 0.00 N ATOM 777 CA SER A 53 -12.662 -6.376 -6.393 1.00 0.00 C ATOM 778 C SER A 53 -13.422 -5.357 -5.540 1.00 0.00 C ATOM 779 O SER A 53 -13.992 -4.403 -6.068 1.00 0.00 O ATOM 780 CB SER A 53 -13.111 -7.797 -6.045 1.00 0.00 C ATOM 781 OG SER A 53 -14.526 -7.892 -5.912 1.00 0.00 O ATOM 0 H SER A 53 -10.887 -6.516 -5.287 1.00 0.00 H new ATOM 0 HA SER A 53 -12.886 -6.200 -7.445 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.773 -8.484 -6.821 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.638 -8.109 -5.114 1.00 0.00 H new ATOM 0 HG SER A 53 -14.773 -8.814 -5.691 1.00 0.00 H new ATOM 786 N PHE A 54 -13.403 -5.592 -4.237 1.00 0.00 N ATOM 787 CA PHE A 54 -14.082 -4.707 -3.306 1.00 0.00 C ATOM 788 C PHE A 54 -13.185 -3.531 -2.915 1.00 0.00 C ATOM 789 O PHE A 54 -13.421 -2.400 -3.337 1.00 0.00 O ATOM 790 CB PHE A 54 -14.398 -5.530 -2.056 1.00 0.00 C ATOM 791 CG PHE A 54 -15.021 -4.718 -0.918 1.00 0.00 C ATOM 792 CD1 PHE A 54 -16.354 -4.445 -0.929 1.00 0.00 C ATOM 793 CD2 PHE A 54 -14.243 -4.270 0.103 1.00 0.00 C ATOM 794 CE1 PHE A 54 -16.933 -3.692 0.127 1.00 0.00 C ATOM 795 CE2 PHE A 54 -14.822 -3.517 1.159 1.00 0.00 C ATOM 796 CZ PHE A 54 -16.155 -3.243 1.148 1.00 0.00 C ATOM 0 H PHE A 54 -12.928 -6.383 -3.803 1.00 0.00 H new ATOM 0 HA PHE A 54 -14.984 -4.304 -3.766 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.078 -6.337 -2.327 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.479 -5.994 -1.697 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -16.972 -4.801 -1.740 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.185 -4.487 0.111 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.991 -3.476 0.119 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.204 -3.162 1.971 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.595 -2.669 1.950 1.00 0.00 H new ATOM 805 N MET A 55 -12.176 -3.838 -2.113 1.00 0.00 N ATOM 806 CA MET A 55 -11.243 -2.821 -1.661 1.00 0.00 C ATOM 807 C MET A 55 -11.966 -1.503 -1.375 1.00 0.00 C ATOM 808 O MET A 55 -12.033 -0.628 -2.237 1.00 0.00 O ATOM 809 CB MET A 55 -10.174 -2.595 -2.731 1.00 0.00 C ATOM 810 CG MET A 55 -8.869 -2.096 -2.107 1.00 0.00 C ATOM 811 SD MET A 55 -7.573 -3.299 -2.354 1.00 0.00 S ATOM 812 CE MET A 55 -8.532 -4.803 -2.297 1.00 0.00 C ATOM 0 H MET A 55 -11.984 -4.777 -1.765 1.00 0.00 H new ATOM 0 HA MET A 55 -10.777 -3.167 -0.738 1.00 0.00 H new ATOM 0 HB2 MET A 55 -9.991 -3.525 -3.269 1.00 0.00 H new ATOM 0 HB3 MET A 55 -10.533 -1.869 -3.461 1.00 0.00 H new ATOM 0 HG2 MET A 55 -8.583 -1.144 -2.555 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.011 -1.917 -1.041 1.00 0.00 H new ATOM 0 HE1 MET A 55 -7.945 -5.591 -1.826 1.00 0.00 H new ATOM 0 HE2 MET A 55 -9.441 -4.633 -1.720 1.00 0.00 H new ATOM 0 HE3 MET A 55 -8.796 -5.105 -3.311 1.00 0.00 H new ATOM 820 N ASP A 56 -12.487 -1.401 -0.162 1.00 0.00 N ATOM 821 CA ASP A 56 -13.202 -0.205 0.249 1.00 0.00 C ATOM 822 C ASP A 56 -12.358 0.564 1.268 1.00 0.00 C ATOM 823 O ASP A 56 -11.130 0.523 1.221 1.00 0.00 O ATOM 824 CB ASP A 56 -14.536 -0.558 0.909 1.00 0.00 C ATOM 825 CG ASP A 56 -15.608 0.530 0.825 1.00 0.00 C ATOM 826 OD1 ASP A 56 -15.863 1.253 1.799 1.00 0.00 O ATOM 827 OD2 ASP A 56 -16.202 0.622 -0.317 1.00 0.00 O ATOM 0 H ASP A 56 -12.428 -2.128 0.551 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.389 0.397 -0.640 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.924 -1.465 0.446 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.355 -0.788 1.959 1.00 0.00 H new ATOM 832 N SER A 57 -13.052 1.248 2.166 1.00 0.00 N ATOM 833 CA SER A 57 -12.382 2.025 3.196 1.00 0.00 C ATOM 834 C SER A 57 -12.383 1.252 4.517 1.00 0.00 C ATOM 835 O SER A 57 -11.856 1.731 5.520 1.00 0.00 O ATOM 836 CB SER A 57 -13.050 3.389 3.379 1.00 0.00 C ATOM 837 OG SER A 57 -14.425 3.267 3.734 1.00 0.00 O ATOM 0 H SER A 57 -14.071 1.280 2.202 1.00 0.00 H new ATOM 0 HA SER A 57 -11.352 2.195 2.882 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.524 3.949 4.152 1.00 0.00 H new ATOM 0 HB3 SER A 57 -12.963 3.962 2.456 1.00 0.00 H new ATOM 0 HG SER A 57 -14.815 4.159 3.843 1.00 0.00 H new ATOM 842 N SER A 58 -12.979 0.070 4.474 1.00 0.00 N ATOM 843 CA SER A 58 -13.055 -0.773 5.656 1.00 0.00 C ATOM 844 C SER A 58 -11.648 -1.177 6.101 1.00 0.00 C ATOM 845 O SER A 58 -11.468 -1.704 7.197 1.00 0.00 O ATOM 846 CB SER A 58 -13.906 -2.016 5.391 1.00 0.00 C ATOM 847 OG SER A 58 -15.080 -1.711 4.642 1.00 0.00 O ATOM 0 H SER A 58 -13.414 -0.324 3.640 1.00 0.00 H new ATOM 0 HA SER A 58 -13.532 -0.203 6.454 1.00 0.00 H new ATOM 0 HB2 SER A 58 -13.312 -2.753 4.850 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.190 -2.470 6.340 1.00 0.00 H new ATOM 0 HG SER A 58 -15.595 -2.531 4.493 1.00 0.00 H new ATOM 852 N GLY A 59 -10.687 -0.916 5.226 1.00 0.00 N ATOM 853 CA GLY A 59 -9.302 -1.247 5.516 1.00 0.00 C ATOM 854 C GLY A 59 -8.369 -0.106 5.105 1.00 0.00 C ATOM 855 O GLY A 59 -7.150 -0.267 5.101 1.00 0.00 O ATOM 0 H GLY A 59 -10.840 -0.480 4.317 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.188 -1.449 6.581 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.023 -2.158 4.987 1.00 0.00 H new ATOM 859 N LEU A 60 -8.977 1.022 4.770 1.00 0.00 N ATOM 860 CA LEU A 60 -8.216 2.190 4.358 1.00 0.00 C ATOM 861 C LEU A 60 -7.151 2.496 5.413 1.00 0.00 C ATOM 862 O LEU A 60 -5.968 2.593 5.095 1.00 0.00 O ATOM 863 CB LEU A 60 -9.152 3.365 4.069 1.00 0.00 C ATOM 864 CG LEU A 60 -8.755 4.267 2.899 1.00 0.00 C ATOM 865 CD1 LEU A 60 -9.026 5.738 3.224 1.00 0.00 C ATOM 866 CD2 LEU A 60 -7.300 4.029 2.493 1.00 0.00 C ATOM 0 H LEU A 60 -9.989 1.153 4.775 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.692 1.994 3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.149 2.970 3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.221 3.978 4.967 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.375 4.007 2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.735 6.358 2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.088 5.876 3.427 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.448 6.029 4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.043 4.683 1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.646 4.245 3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.172 2.989 2.192 1.00 0.00 H new ATOM 877 N GLY A 61 -7.611 2.639 6.647 1.00 0.00 N ATOM 878 CA GLY A 61 -6.712 2.933 7.751 1.00 0.00 C ATOM 879 C GLY A 61 -5.611 1.876 7.857 1.00 0.00 C ATOM 880 O GLY A 61 -4.463 2.199 8.159 1.00 0.00 O ATOM 0 H GLY A 61 -8.594 2.557 6.907 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.264 3.917 7.608 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.275 2.971 8.683 1.00 0.00 H new ATOM 884 N VAL A 62 -5.999 0.635 7.602 1.00 0.00 N ATOM 885 CA VAL A 62 -5.058 -0.471 7.666 1.00 0.00 C ATOM 886 C VAL A 62 -3.951 -0.252 6.633 1.00 0.00 C ATOM 887 O VAL A 62 -2.870 -0.828 6.747 1.00 0.00 O ATOM 888 CB VAL A 62 -5.798 -1.798 7.478 1.00 0.00 C ATOM 889 CG1 VAL A 62 -5.375 -2.482 6.176 1.00 0.00 C ATOM 890 CG2 VAL A 62 -5.581 -2.721 8.678 1.00 0.00 C ATOM 0 H VAL A 62 -6.952 0.371 7.351 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.584 -0.514 8.647 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.864 -1.581 7.411 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.915 -3.422 6.067 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.604 -1.831 5.332 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.303 -2.680 6.201 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.117 -3.657 8.519 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.517 -2.927 8.790 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.954 -2.238 9.581 1.00 0.00 H new ATOM 900 N ILE A 63 -4.258 0.580 5.650 1.00 0.00 N ATOM 901 CA ILE A 63 -3.302 0.882 4.598 1.00 0.00 C ATOM 902 C ILE A 63 -2.718 2.276 4.831 1.00 0.00 C ATOM 903 O ILE A 63 -1.556 2.528 4.511 1.00 0.00 O ATOM 904 CB ILE A 63 -3.947 0.708 3.221 1.00 0.00 C ATOM 905 CG1 ILE A 63 -4.076 -0.773 2.860 1.00 0.00 C ATOM 906 CG2 ILE A 63 -3.182 1.494 2.155 1.00 0.00 C ATOM 907 CD1 ILE A 63 -5.444 -1.071 2.243 1.00 0.00 C ATOM 0 H ILE A 63 -5.156 1.055 5.559 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.470 0.178 4.626 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.956 1.118 3.261 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.289 -1.050 2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.936 -1.382 3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.661 1.354 1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.186 2.553 2.411 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.154 1.136 2.107 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.509 -2.131 1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.228 -0.816 2.956 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.571 -0.479 1.337 1.00 0.00 H new ATOM 918 N LEU A 64 -3.548 3.147 5.386 1.00 0.00 N ATOM 919 CA LEU A 64 -3.128 4.509 5.665 1.00 0.00 C ATOM 920 C LEU A 64 -2.219 4.516 6.896 1.00 0.00 C ATOM 921 O LEU A 64 -1.407 5.424 7.068 1.00 0.00 O ATOM 922 CB LEU A 64 -4.343 5.429 5.794 1.00 0.00 C ATOM 923 CG LEU A 64 -4.042 6.918 5.973 1.00 0.00 C ATOM 924 CD1 LEU A 64 -2.814 7.331 5.159 1.00 0.00 C ATOM 925 CD2 LEU A 64 -5.267 7.770 5.634 1.00 0.00 C ATOM 0 H LEU A 64 -4.510 2.935 5.650 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.544 4.905 4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.961 5.308 4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.938 5.094 6.644 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.807 7.095 7.023 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.622 8.394 5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.948 6.757 5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.996 7.136 4.102 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.026 8.824 5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.557 7.594 4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.092 7.499 6.293 1.00 0.00 H new ATOM 936 N GLY A 65 -2.386 3.492 7.720 1.00 0.00 N ATOM 937 CA GLY A 65 -1.591 3.368 8.931 1.00 0.00 C ATOM 938 C GLY A 65 -0.169 2.902 8.607 1.00 0.00 C ATOM 939 O GLY A 65 0.727 3.011 9.442 1.00 0.00 O ATOM 0 H GLY A 65 -3.060 2.740 7.573 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.555 4.328 9.447 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.064 2.659 9.610 1.00 0.00 H new ATOM 943 N ARG A 66 -0.009 2.395 7.394 1.00 0.00 N ATOM 944 CA ARG A 66 1.288 1.912 6.951 1.00 0.00 C ATOM 945 C ARG A 66 2.056 3.030 6.243 1.00 0.00 C ATOM 946 O ARG A 66 3.274 3.137 6.385 1.00 0.00 O ATOM 947 CB ARG A 66 1.137 0.724 5.998 1.00 0.00 C ATOM 948 CG ARG A 66 1.852 -0.512 6.546 1.00 0.00 C ATOM 949 CD ARG A 66 1.919 -1.619 5.491 1.00 0.00 C ATOM 950 NE ARG A 66 3.325 -1.860 5.098 1.00 0.00 N ATOM 951 CZ ARG A 66 3.696 -2.482 3.959 1.00 0.00 C ATOM 952 NH1 ARG A 66 2.768 -2.934 3.091 1.00 0.00 N ATOM 953 NH2 ARG A 66 4.983 -2.644 3.709 1.00 0.00 N ATOM 0 H ARG A 66 -0.755 2.308 6.704 1.00 0.00 H new ATOM 0 HA ARG A 66 1.841 1.588 7.833 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.080 0.502 5.852 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.546 0.982 5.021 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.860 -0.243 6.861 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.329 -0.878 7.429 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.481 -2.536 5.886 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.332 -1.336 4.617 1.00 0.00 H new ATOM 0 HE ARG A 66 4.060 -1.536 5.727 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.776 -2.807 3.293 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.058 -3.403 2.233 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.678 -2.301 4.372 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.281 -3.112 2.853 1.00 0.00 H new ATOM 963 N TYR A 67 1.314 3.834 5.495 1.00 0.00 N ATOM 964 CA TYR A 67 1.911 4.939 4.765 1.00 0.00 C ATOM 965 C TYR A 67 2.669 5.875 5.710 1.00 0.00 C ATOM 966 O TYR A 67 3.791 6.283 5.415 1.00 0.00 O ATOM 967 CB TYR A 67 0.746 5.706 4.135 1.00 0.00 C ATOM 968 CG TYR A 67 1.045 6.251 2.736 1.00 0.00 C ATOM 969 CD1 TYR A 67 1.616 7.498 2.589 1.00 0.00 C ATOM 970 CD2 TYR A 67 0.742 5.495 1.622 1.00 0.00 C ATOM 971 CE1 TYR A 67 1.897 8.011 1.274 1.00 0.00 C ATOM 972 CE2 TYR A 67 1.023 6.007 0.306 1.00 0.00 C ATOM 973 CZ TYR A 67 1.586 7.241 0.197 1.00 0.00 C ATOM 974 OH TYR A 67 1.852 7.725 -1.046 1.00 0.00 O ATOM 0 H TYR A 67 0.305 3.742 5.379 1.00 0.00 H new ATOM 0 HA TYR A 67 2.620 4.571 4.024 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.121 5.048 4.080 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.476 6.536 4.787 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.852 8.090 3.461 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.294 4.519 1.737 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.345 8.985 1.145 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.792 5.425 -0.574 1.00 0.00 H new ATOM 0 HH TYR A 67 1.460 7.131 -1.719 1.00 0.00 H new ATOM 983 N LYS A 68 2.025 6.186 6.825 1.00 0.00 N ATOM 984 CA LYS A 68 2.624 7.065 7.814 1.00 0.00 C ATOM 985 C LYS A 68 3.597 6.263 8.681 1.00 0.00 C ATOM 986 O LYS A 68 4.110 6.771 9.677 1.00 0.00 O ATOM 987 CB LYS A 68 1.540 7.789 8.615 1.00 0.00 C ATOM 988 CG LYS A 68 0.271 7.971 7.780 1.00 0.00 C ATOM 989 CD LYS A 68 -0.325 9.365 7.982 1.00 0.00 C ATOM 990 CE LYS A 68 -0.523 9.666 9.470 1.00 0.00 C ATOM 991 NZ LYS A 68 -1.039 11.040 9.657 1.00 0.00 N ATOM 0 H LYS A 68 1.094 5.845 7.065 1.00 0.00 H new ATOM 0 HA LYS A 68 3.203 7.848 7.325 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.308 7.221 9.516 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.910 8.762 8.938 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.501 7.820 6.725 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.463 7.214 8.058 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.333 10.113 7.540 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.281 9.435 7.463 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -1.219 8.948 9.903 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.423 9.551 9.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.167 11.227 10.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.361 11.722 9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.952 11.137 9.169 1.00 0.00 H new ATOM 1000 N GLN A 69 3.822 5.024 8.269 1.00 0.00 N ATOM 1001 CA GLN A 69 4.724 4.147 8.996 1.00 0.00 C ATOM 1002 C GLN A 69 6.072 4.058 8.278 1.00 0.00 C ATOM 1003 O GLN A 69 7.123 4.186 8.904 1.00 0.00 O ATOM 1004 CB GLN A 69 4.108 2.758 9.180 1.00 0.00 C ATOM 1005 CG GLN A 69 4.000 2.398 10.663 1.00 0.00 C ATOM 1006 CD GLN A 69 3.125 3.407 11.410 1.00 0.00 C ATOM 1007 OE1 GLN A 69 3.549 4.493 11.764 1.00 0.00 O ATOM 1008 NE2 GLN A 69 1.882 2.986 11.628 1.00 0.00 N ATOM 0 H GLN A 69 3.396 4.607 7.442 1.00 0.00 H new ATOM 0 HA GLN A 69 4.890 4.569 9.987 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.119 2.731 8.723 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.717 2.015 8.665 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.579 1.398 10.768 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.995 2.374 11.108 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.592 2.063 11.304 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.219 3.586 12.119 1.00 0.00 H new ATOM 1090 N GLY A 75 11.283 6.396 4.870 1.00 0.00 N ATOM 1091 CA GLY A 75 11.080 5.909 3.516 1.00 0.00 C ATOM 1092 C GLY A 75 9.853 6.563 2.877 1.00 0.00 C ATOM 1093 O GLY A 75 9.631 7.763 3.035 1.00 0.00 O ATOM 0 HA2 GLY A 75 11.964 6.119 2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.954 4.826 3.530 1.00 0.00 H new ATOM 1097 N GLU A 76 9.088 5.747 2.166 1.00 0.00 N ATOM 1098 CA GLU A 76 7.890 6.231 1.503 1.00 0.00 C ATOM 1099 C GLU A 76 6.973 5.061 1.144 1.00 0.00 C ATOM 1100 O GLU A 76 7.446 3.965 0.846 1.00 0.00 O ATOM 1101 CB GLU A 76 8.245 7.051 0.261 1.00 0.00 C ATOM 1102 CG GLU A 76 8.991 6.196 -0.766 1.00 0.00 C ATOM 1103 CD GLU A 76 8.017 5.534 -1.741 1.00 0.00 C ATOM 1104 OE1 GLU A 76 7.793 4.317 -1.664 1.00 0.00 O ATOM 1105 OE2 GLU A 76 7.482 6.332 -2.602 1.00 0.00 O ATOM 0 H GLU A 76 9.275 4.753 2.035 1.00 0.00 H new ATOM 0 HA GLU A 76 7.357 6.887 2.191 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.336 7.452 -0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.862 7.903 0.547 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.697 6.817 -1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.573 5.431 -0.253 1.00 0.00 H new ATOM 1111 N MET A 77 5.676 5.333 1.184 1.00 0.00 N ATOM 1112 CA MET A 77 4.689 4.316 0.867 1.00 0.00 C ATOM 1113 C MET A 77 4.030 4.594 -0.486 1.00 0.00 C ATOM 1114 O MET A 77 3.581 5.709 -0.745 1.00 0.00 O ATOM 1115 CB MET A 77 3.616 4.287 1.958 1.00 0.00 C ATOM 1116 CG MET A 77 2.766 3.020 1.858 1.00 0.00 C ATOM 1117 SD MET A 77 3.423 1.757 2.935 1.00 0.00 S ATOM 1118 CE MET A 77 2.281 0.429 2.589 1.00 0.00 C ATOM 0 H MET A 77 5.287 6.243 1.431 1.00 0.00 H new ATOM 0 HA MET A 77 5.194 3.352 0.814 1.00 0.00 H new ATOM 0 HB2 MET A 77 4.089 4.335 2.939 1.00 0.00 H new ATOM 0 HB3 MET A 77 2.977 5.166 1.868 1.00 0.00 H new ATOM 0 HG2 MET A 77 1.734 3.242 2.131 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.753 2.661 0.829 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.309 -0.296 3.402 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.272 0.831 2.496 1.00 0.00 H new ATOM 0 HE3 MET A 77 2.564 -0.060 1.657 1.00 0.00 H new ATOM 1126 N VAL A 78 3.996 3.560 -1.314 1.00 0.00 N ATOM 1127 CA VAL A 78 3.402 3.678 -2.635 1.00 0.00 C ATOM 1128 C VAL A 78 2.393 2.545 -2.839 1.00 0.00 C ATOM 1129 O VAL A 78 2.558 1.456 -2.292 1.00 0.00 O ATOM 1130 CB VAL A 78 4.497 3.703 -3.702 1.00 0.00 C ATOM 1131 CG1 VAL A 78 3.914 4.017 -5.081 1.00 0.00 C ATOM 1132 CG2 VAL A 78 5.600 4.698 -3.334 1.00 0.00 C ATOM 0 H VAL A 78 4.370 2.637 -1.096 1.00 0.00 H new ATOM 0 HA VAL A 78 2.858 4.618 -2.726 1.00 0.00 H new ATOM 0 HB VAL A 78 4.943 2.709 -3.746 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.715 4.028 -5.821 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.183 3.254 -5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.428 4.992 -5.057 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.366 4.696 -4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.174 5.698 -3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.047 4.410 -2.382 1.00 0.00 H new ATOM 1142 N VAL A 79 1.370 2.841 -3.628 1.00 0.00 N ATOM 1143 CA VAL A 79 0.336 1.862 -3.911 1.00 0.00 C ATOM 1144 C VAL A 79 -0.168 2.057 -5.343 1.00 0.00 C ATOM 1145 O VAL A 79 -0.353 3.188 -5.790 1.00 0.00 O ATOM 1146 CB VAL A 79 -0.778 1.960 -2.866 1.00 0.00 C ATOM 1147 CG1 VAL A 79 -1.343 3.380 -2.799 1.00 0.00 C ATOM 1148 CG2 VAL A 79 -1.885 0.942 -3.147 1.00 0.00 C ATOM 0 H VAL A 79 1.236 3.746 -4.080 1.00 0.00 H new ATOM 0 HA VAL A 79 0.739 0.851 -3.843 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.346 1.725 -1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.133 3.422 -2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.548 4.075 -2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.751 3.655 -3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.664 1.033 -2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.312 1.132 -4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.469 -0.065 -3.120 1.00 0.00 H new ATOM 1158 N CYS A 80 -0.376 0.939 -6.020 1.00 0.00 N ATOM 1159 CA CYS A 80 -0.855 0.973 -7.392 1.00 0.00 C ATOM 1160 C CYS A 80 -2.105 0.097 -7.486 1.00 0.00 C ATOM 1161 O CYS A 80 -2.692 -0.266 -6.468 1.00 0.00 O ATOM 1162 CB CYS A 80 0.226 0.532 -8.380 1.00 0.00 C ATOM 1163 SG CYS A 80 0.227 -1.291 -8.535 1.00 0.00 S ATOM 0 H CYS A 80 -0.222 0.003 -5.645 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.109 1.997 -7.666 1.00 0.00 H new ATOM 0 HB2 CYS A 80 0.048 0.988 -9.354 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.203 0.877 -8.041 1.00 0.00 H new ATOM 0 HG CYS A 80 1.119 -1.652 -9.410 1.00 0.00 H new ATOM 1168 N ALA A 81 -2.477 -0.217 -8.718 1.00 0.00 N ATOM 1169 CA ALA A 81 -3.648 -1.045 -8.959 1.00 0.00 C ATOM 1170 C ALA A 81 -4.910 -0.220 -8.704 1.00 0.00 C ATOM 1171 O ALA A 81 -5.853 -0.700 -8.077 1.00 0.00 O ATOM 1172 CB ALA A 81 -3.580 -2.294 -8.078 1.00 0.00 C ATOM 0 H ALA A 81 -1.989 0.087 -9.560 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.676 -1.379 -9.996 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.458 -2.915 -8.258 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.680 -2.860 -8.318 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.554 -1.998 -7.029 1.00 0.00 H new ATOM 1178 N ILE A 82 -4.888 1.007 -9.204 1.00 0.00 N ATOM 1179 CA ILE A 82 -6.020 1.903 -9.038 1.00 0.00 C ATOM 1180 C ILE A 82 -7.248 1.299 -9.721 1.00 0.00 C ATOM 1181 O ILE A 82 -7.137 0.310 -10.443 1.00 0.00 O ATOM 1182 CB ILE A 82 -5.669 3.307 -9.534 1.00 0.00 C ATOM 1183 CG1 ILE A 82 -6.632 4.349 -8.959 1.00 0.00 C ATOM 1184 CG2 ILE A 82 -5.621 3.352 -11.063 1.00 0.00 C ATOM 1185 CD1 ILE A 82 -6.736 4.219 -7.438 1.00 0.00 C ATOM 0 H ILE A 82 -4.104 1.402 -9.724 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.265 2.015 -7.982 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.671 3.558 -9.173 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.288 5.350 -9.219 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.618 4.224 -9.407 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.369 4.361 -11.390 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.865 2.655 -11.424 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.594 3.072 -11.466 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.426 4.971 -7.055 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.103 3.225 -7.182 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.753 4.368 -6.992 1.00 0.00 H new ATOM 1196 N SER A 83 -8.392 1.919 -9.469 1.00 0.00 N ATOM 1197 CA SER A 83 -9.639 1.454 -10.050 1.00 0.00 C ATOM 1198 C SER A 83 -10.698 2.556 -9.966 1.00 0.00 C ATOM 1199 O SER A 83 -10.541 3.516 -9.214 1.00 0.00 O ATOM 1200 CB SER A 83 -10.135 0.187 -9.351 1.00 0.00 C ATOM 1201 OG SER A 83 -10.389 -0.868 -10.274 1.00 0.00 O ATOM 0 H SER A 83 -8.481 2.740 -8.870 1.00 0.00 H new ATOM 0 HA SER A 83 -9.458 1.211 -11.097 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.392 -0.139 -8.623 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.047 0.412 -8.798 1.00 0.00 H new ATOM 0 HG SER A 83 -10.702 -1.659 -9.788 1.00 0.00 H new ATOM 1206 N PRO A 84 -11.780 2.375 -10.769 1.00 0.00 N ATOM 1207 CA PRO A 84 -12.864 3.342 -10.793 1.00 0.00 C ATOM 1208 C PRO A 84 -13.733 3.224 -9.539 1.00 0.00 C ATOM 1209 O PRO A 84 -14.529 4.113 -9.245 1.00 0.00 O ATOM 1210 CB PRO A 84 -13.628 3.046 -12.074 1.00 0.00 C ATOM 1211 CG PRO A 84 -13.227 1.638 -12.482 1.00 0.00 C ATOM 1212 CD PRO A 84 -12.000 1.249 -11.673 1.00 0.00 C ATOM 0 HA PRO A 84 -12.508 4.372 -10.786 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.704 3.114 -11.912 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -13.377 3.765 -12.854 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -14.043 0.940 -12.297 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -13.009 1.597 -13.549 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -12.167 0.324 -11.121 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -11.137 1.084 -12.318 1.00 0.00 H new ATOM 1217 N ALA A 85 -13.549 2.117 -8.833 1.00 0.00 N ATOM 1218 CA ALA A 85 -14.305 1.870 -7.617 1.00 0.00 C ATOM 1219 C ALA A 85 -13.336 1.599 -6.466 1.00 0.00 C ATOM 1220 O ALA A 85 -13.561 0.697 -5.660 1.00 0.00 O ATOM 1221 CB ALA A 85 -15.277 0.711 -7.847 1.00 0.00 C ATOM 0 H ALA A 85 -12.887 1.381 -9.080 1.00 0.00 H new ATOM 0 HA ALA A 85 -14.898 2.744 -7.349 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -15.844 0.525 -6.935 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -15.963 0.966 -8.655 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.718 -0.185 -8.115 1.00 0.00 H new ATOM 1227 N VAL A 86 -12.278 2.396 -6.424 1.00 0.00 N ATOM 1228 CA VAL A 86 -11.274 2.253 -5.384 1.00 0.00 C ATOM 1229 C VAL A 86 -10.572 3.596 -5.170 1.00 0.00 C ATOM 1230 O VAL A 86 -10.252 3.960 -4.040 1.00 0.00 O ATOM 1231 CB VAL A 86 -10.305 1.124 -5.742 1.00 0.00 C ATOM 1232 CG1 VAL A 86 -8.862 1.519 -5.425 1.00 0.00 C ATOM 1233 CG2 VAL A 86 -10.689 -0.175 -5.031 1.00 0.00 C ATOM 0 H VAL A 86 -12.095 3.143 -7.094 1.00 0.00 H new ATOM 0 HA VAL A 86 -11.741 1.975 -4.439 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.375 0.950 -6.816 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.194 0.699 -5.689 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.593 2.405 -5.999 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.769 1.734 -4.361 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.984 -0.961 -5.303 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -10.662 -0.021 -3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -11.695 -0.470 -5.330 1.00 0.00 H new ATOM 1243 N LYS A 87 -10.356 4.296 -6.273 1.00 0.00 N ATOM 1244 CA LYS A 87 -9.699 5.592 -6.221 1.00 0.00 C ATOM 1245 C LYS A 87 -10.691 6.642 -5.718 1.00 0.00 C ATOM 1246 O LYS A 87 -10.311 7.780 -5.444 1.00 0.00 O ATOM 1247 CB LYS A 87 -9.078 5.933 -7.576 1.00 0.00 C ATOM 1248 CG LYS A 87 -10.016 6.815 -8.403 1.00 0.00 C ATOM 1249 CD LYS A 87 -9.604 6.821 -9.877 1.00 0.00 C ATOM 1250 CE LYS A 87 -10.801 7.130 -10.779 1.00 0.00 C ATOM 1251 NZ LYS A 87 -10.753 8.537 -11.239 1.00 0.00 N ATOM 0 H LYS A 87 -10.624 3.991 -7.209 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.870 5.570 -5.513 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.128 6.447 -7.426 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.861 5.015 -8.122 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.039 6.452 -8.309 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.002 7.833 -8.013 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.822 7.564 -10.037 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.183 5.852 -10.145 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.799 6.460 -11.639 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.729 6.950 -10.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.572 8.731 -11.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.777 9.172 -10.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.876 8.697 -11.775 1.00 0.00 H new ATOM 1260 N ARG A 88 -11.944 6.223 -5.610 1.00 0.00 N ATOM 1261 CA ARG A 88 -12.994 7.113 -5.145 1.00 0.00 C ATOM 1262 C ARG A 88 -12.972 7.206 -3.618 1.00 0.00 C ATOM 1263 O ARG A 88 -13.564 8.117 -3.039 1.00 0.00 O ATOM 1264 CB ARG A 88 -14.370 6.627 -5.601 1.00 0.00 C ATOM 1265 CG ARG A 88 -14.403 5.102 -5.715 1.00 0.00 C ATOM 1266 CD ARG A 88 -13.957 4.444 -4.408 1.00 0.00 C ATOM 1267 NE ARG A 88 -14.697 3.181 -4.199 1.00 0.00 N ATOM 1268 CZ ARG A 88 -15.980 3.115 -3.780 1.00 0.00 C ATOM 1269 NH1 ARG A 88 -16.674 4.243 -3.522 1.00 0.00 N ATOM 1270 NH2 ARG A 88 -16.543 1.931 -3.626 1.00 0.00 N ATOM 0 H ARG A 88 -12.255 5.278 -5.837 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.810 8.098 -5.575 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.130 6.959 -4.893 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.616 7.073 -6.565 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.412 4.774 -5.965 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -13.753 4.781 -6.528 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.885 4.246 -4.438 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.133 5.121 -3.572 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.208 2.305 -4.383 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -16.231 5.154 -3.643 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.642 4.185 -3.206 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -16.010 1.084 -3.823 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.511 1.864 -3.310 1.00 0.00 H new ATOM 1280 N LEU A 89 -12.286 6.251 -3.008 1.00 0.00 N ATOM 1281 CA LEU A 89 -12.180 6.213 -1.560 1.00 0.00 C ATOM 1282 C LEU A 89 -11.241 7.326 -1.092 1.00 0.00 C ATOM 1283 O LEU A 89 -11.512 7.995 -0.095 1.00 0.00 O ATOM 1284 CB LEU A 89 -11.764 4.818 -1.089 1.00 0.00 C ATOM 1285 CG LEU A 89 -12.790 3.703 -1.303 1.00 0.00 C ATOM 1286 CD1 LEU A 89 -12.098 2.371 -1.596 1.00 0.00 C ATOM 1287 CD2 LEU A 89 -13.747 3.603 -0.114 1.00 0.00 C ATOM 0 H LEU A 89 -11.798 5.497 -3.491 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.151 6.402 -1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.844 4.542 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.530 4.870 -0.026 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.390 3.953 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.849 1.595 -1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.492 2.466 -2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.458 2.101 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.466 2.803 -0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.181 3.387 0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.278 4.547 0.006 1.00 0.00 H new ATOM 1298 N PHE A 90 -10.155 7.491 -1.833 1.00 0.00 N ATOM 1299 CA PHE A 90 -9.173 8.511 -1.507 1.00 0.00 C ATOM 1300 C PHE A 90 -9.536 9.848 -2.158 1.00 0.00 C ATOM 1301 O PHE A 90 -9.073 10.901 -1.720 1.00 0.00 O ATOM 1302 CB PHE A 90 -7.831 8.035 -2.061 1.00 0.00 C ATOM 1303 CG PHE A 90 -7.505 6.576 -1.735 1.00 0.00 C ATOM 1304 CD1 PHE A 90 -7.989 5.578 -2.522 1.00 0.00 C ATOM 1305 CD2 PHE A 90 -6.731 6.277 -0.657 1.00 0.00 C ATOM 1306 CE1 PHE A 90 -7.686 4.224 -2.219 1.00 0.00 C ATOM 1307 CE2 PHE A 90 -6.429 4.923 -0.353 1.00 0.00 C ATOM 1308 CZ PHE A 90 -6.913 3.926 -1.141 1.00 0.00 C ATOM 0 H PHE A 90 -9.934 6.935 -2.659 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.136 8.660 -0.428 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -7.830 8.164 -3.143 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.040 8.671 -1.664 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.604 5.815 -3.378 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.346 7.069 -0.032 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.069 3.431 -2.845 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.815 4.685 0.503 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.683 2.896 -0.910 1.00 0.00 H new ATOM 1317 N ASP A 91 -10.359 9.762 -3.191 1.00 0.00 N ATOM 1318 CA ASP A 91 -10.789 10.952 -3.907 1.00 0.00 C ATOM 1319 C ASP A 91 -11.784 11.729 -3.044 1.00 0.00 C ATOM 1320 O ASP A 91 -11.816 12.959 -3.082 1.00 0.00 O ATOM 1321 CB ASP A 91 -11.486 10.585 -5.219 1.00 0.00 C ATOM 1322 CG ASP A 91 -10.811 11.121 -6.482 1.00 0.00 C ATOM 1323 OD1 ASP A 91 -10.069 10.400 -7.166 1.00 0.00 O ATOM 1324 OD2 ASP A 91 -11.076 12.352 -6.761 1.00 0.00 O ATOM 0 H ASP A 91 -10.740 8.887 -3.550 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.905 11.552 -4.125 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.545 9.499 -5.290 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.509 10.958 -5.186 1.00 0.00 H new ATOM 1329 N MET A 92 -12.572 10.981 -2.286 1.00 0.00 N ATOM 1330 CA MET A 92 -13.566 11.586 -1.416 1.00 0.00 C ATOM 1331 C MET A 92 -12.934 12.052 -0.103 1.00 0.00 C ATOM 1332 O MET A 92 -13.273 13.118 0.409 1.00 0.00 O ATOM 1333 CB MET A 92 -14.669 10.569 -1.117 1.00 0.00 C ATOM 1334 CG MET A 92 -15.778 11.195 -0.270 1.00 0.00 C ATOM 1335 SD MET A 92 -16.125 10.160 1.143 1.00 0.00 S ATOM 1336 CE MET A 92 -16.686 11.396 2.302 1.00 0.00 C ATOM 0 H MET A 92 -12.542 9.962 -2.256 1.00 0.00 H new ATOM 0 HA MET A 92 -13.986 12.454 -1.924 1.00 0.00 H new ATOM 0 HB2 MET A 92 -15.087 10.196 -2.052 1.00 0.00 H new ATOM 0 HB3 MET A 92 -14.246 9.712 -0.593 1.00 0.00 H new ATOM 0 HG2 MET A 92 -15.477 12.189 0.062 1.00 0.00 H new ATOM 0 HG3 MET A 92 -16.679 11.319 -0.870 1.00 0.00 H new ATOM 0 HE1 MET A 92 -16.946 10.918 3.246 1.00 0.00 H new ATOM 0 HE2 MET A 92 -15.892 12.124 2.470 1.00 0.00 H new ATOM 0 HE3 MET A 92 -17.563 11.902 1.898 1.00 0.00 H new ATOM 1344 N SER A 93 -12.025 11.231 0.404 1.00 0.00 N ATOM 1345 CA SER A 93 -11.342 11.547 1.647 1.00 0.00 C ATOM 1346 C SER A 93 -10.452 12.777 1.457 1.00 0.00 C ATOM 1347 O SER A 93 -10.227 13.537 2.398 1.00 0.00 O ATOM 1348 CB SER A 93 -10.509 10.360 2.135 1.00 0.00 C ATOM 1349 OG SER A 93 -9.660 10.715 3.223 1.00 0.00 O ATOM 0 H SER A 93 -11.746 10.348 -0.024 1.00 0.00 H new ATOM 0 HA SER A 93 -12.095 11.764 2.405 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.174 9.553 2.442 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.904 9.979 1.312 1.00 0.00 H new ATOM 0 HG SER A 93 -9.146 9.930 3.507 1.00 0.00 H new ATOM 1354 N GLY A 94 -9.970 12.937 0.233 1.00 0.00 N ATOM 1355 CA GLY A 94 -9.109 14.061 -0.091 1.00 0.00 C ATOM 1356 C GLY A 94 -7.716 13.878 0.512 1.00 0.00 C ATOM 1357 O GLY A 94 -6.856 14.746 0.373 1.00 0.00 O ATOM 0 H GLY A 94 -10.160 12.307 -0.546 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.030 14.162 -1.173 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.553 14.983 0.284 1.00 0.00 H new ATOM 1361 N LEU A 95 -7.535 12.741 1.169 1.00 0.00 N ATOM 1362 CA LEU A 95 -6.260 12.433 1.795 1.00 0.00 C ATOM 1363 C LEU A 95 -5.426 11.571 0.844 1.00 0.00 C ATOM 1364 O LEU A 95 -4.385 11.042 1.232 1.00 0.00 O ATOM 1365 CB LEU A 95 -6.478 11.798 3.169 1.00 0.00 C ATOM 1366 CG LEU A 95 -5.389 12.065 4.211 1.00 0.00 C ATOM 1367 CD1 LEU A 95 -4.785 13.458 4.028 1.00 0.00 C ATOM 1368 CD2 LEU A 95 -5.923 11.852 5.629 1.00 0.00 C ATOM 0 H LEU A 95 -8.250 12.022 1.281 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.694 13.346 1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.428 12.155 3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.572 10.720 3.038 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.586 11.344 4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.014 13.622 4.781 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.344 13.536 3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.566 14.210 4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.129 12.048 6.350 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.755 12.533 5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.266 10.823 5.738 1.00 0.00 H new ATOM 1379 N PHE A 96 -5.916 11.456 -0.382 1.00 0.00 N ATOM 1380 CA PHE A 96 -5.228 10.667 -1.390 1.00 0.00 C ATOM 1381 C PHE A 96 -3.739 11.015 -1.438 1.00 0.00 C ATOM 1382 O PHE A 96 -2.896 10.134 -1.604 1.00 0.00 O ATOM 1383 CB PHE A 96 -5.864 11.011 -2.737 1.00 0.00 C ATOM 1384 CG PHE A 96 -6.199 9.791 -3.598 1.00 0.00 C ATOM 1385 CD1 PHE A 96 -5.537 8.619 -3.403 1.00 0.00 C ATOM 1386 CD2 PHE A 96 -7.159 9.878 -4.558 1.00 0.00 C ATOM 1387 CE1 PHE A 96 -5.847 7.487 -4.202 1.00 0.00 C ATOM 1388 CE2 PHE A 96 -7.470 8.745 -5.356 1.00 0.00 C ATOM 1389 CZ PHE A 96 -6.807 7.574 -5.161 1.00 0.00 C ATOM 0 H PHE A 96 -6.780 11.895 -0.700 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.317 9.606 -1.157 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.777 11.580 -2.561 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.186 11.659 -3.292 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -4.775 8.549 -2.640 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.685 10.809 -4.713 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.320 6.557 -4.048 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.233 8.814 -6.117 1.00 0.00 H new ATOM 0 HZ PHE A 96 -7.043 6.713 -5.768 1.00 0.00 H new ATOM 1398 N LYS A 97 -3.461 12.302 -1.291 1.00 0.00 N ATOM 1399 CA LYS A 97 -2.088 12.778 -1.316 1.00 0.00 C ATOM 1400 C LYS A 97 -1.307 12.130 -0.171 1.00 0.00 C ATOM 1401 O LYS A 97 -0.078 12.079 -0.205 1.00 0.00 O ATOM 1402 CB LYS A 97 -2.051 14.309 -1.297 1.00 0.00 C ATOM 1403 CG LYS A 97 -3.168 14.894 -2.163 1.00 0.00 C ATOM 1404 CD LYS A 97 -2.643 16.034 -3.038 1.00 0.00 C ATOM 1405 CE LYS A 97 -3.681 16.445 -4.084 1.00 0.00 C ATOM 1406 NZ LYS A 97 -3.137 16.271 -5.450 1.00 0.00 N ATOM 0 H LYS A 97 -4.163 13.030 -1.154 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.599 12.482 -2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.155 14.666 -0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.084 14.658 -1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.592 14.112 -2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.973 15.261 -1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.392 16.891 -2.413 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.724 15.722 -3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.583 15.844 -3.966 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.969 17.485 -3.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.854 16.554 -6.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.290 16.863 -5.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.885 15.273 -5.599 1.00 0.00 H new ATOM 1415 N ILE A 98 -2.052 11.653 0.815 1.00 0.00 N ATOM 1416 CA ILE A 98 -1.445 11.011 1.968 1.00 0.00 C ATOM 1417 C ILE A 98 -1.070 9.572 1.605 1.00 0.00 C ATOM 1418 O ILE A 98 -0.261 8.947 2.289 1.00 0.00 O ATOM 1419 CB ILE A 98 -2.363 11.118 3.187 1.00 0.00 C ATOM 1420 CG1 ILE A 98 -1.632 11.759 4.368 1.00 0.00 C ATOM 1421 CG2 ILE A 98 -2.954 9.755 3.551 1.00 0.00 C ATOM 1422 CD1 ILE A 98 -1.406 10.744 5.490 1.00 0.00 C ATOM 0 H ILE A 98 -3.071 11.698 0.839 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.523 11.522 2.247 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.197 11.771 2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -0.674 12.157 4.034 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.212 12.601 4.746 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -3.602 9.860 4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.534 9.373 2.710 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.148 9.059 3.782 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.885 11.226 6.317 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.367 10.366 5.838 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -0.805 9.916 5.116 1.00 0.00 H new ATOM 1433 N ILE A 99 -1.676 9.088 0.532 1.00 0.00 N ATOM 1434 CA ILE A 99 -1.416 7.735 0.071 1.00 0.00 C ATOM 1435 C ILE A 99 -0.721 7.790 -1.291 1.00 0.00 C ATOM 1436 O ILE A 99 -0.217 6.777 -1.777 1.00 0.00 O ATOM 1437 CB ILE A 99 -2.706 6.912 0.070 1.00 0.00 C ATOM 1438 CG1 ILE A 99 -2.932 6.247 1.430 1.00 0.00 C ATOM 1439 CG2 ILE A 99 -2.707 5.895 -1.073 1.00 0.00 C ATOM 1440 CD1 ILE A 99 -4.273 6.671 2.032 1.00 0.00 C ATOM 0 H ILE A 99 -2.347 9.609 -0.032 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.739 7.223 0.755 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.543 7.589 -0.101 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.906 5.163 1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.123 6.516 2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -3.635 5.323 -1.051 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.626 6.418 -2.026 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.861 5.218 -0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.408 6.184 2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.286 7.753 2.166 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.081 6.379 1.362 1.00 0.00 H new ATOM 1451 N ARG A 100 -0.718 8.981 -1.871 1.00 0.00 N ATOM 1452 CA ARG A 100 -0.093 9.181 -3.167 1.00 0.00 C ATOM 1453 C ARG A 100 -0.308 7.953 -4.055 1.00 0.00 C ATOM 1454 O ARG A 100 0.488 7.015 -4.025 1.00 0.00 O ATOM 1455 CB ARG A 100 1.408 9.441 -3.021 1.00 0.00 C ATOM 1456 CG ARG A 100 1.873 10.530 -3.990 1.00 0.00 C ATOM 1457 CD ARG A 100 2.254 11.807 -3.237 1.00 0.00 C ATOM 1458 NE ARG A 100 1.787 12.994 -3.986 1.00 0.00 N ATOM 1459 CZ ARG A 100 2.194 14.256 -3.733 1.00 0.00 C ATOM 1460 NH1 ARG A 100 3.082 14.505 -2.746 1.00 0.00 N ATOM 1461 NH2 ARG A 100 1.713 15.243 -4.465 1.00 0.00 N ATOM 0 H ARG A 100 -1.139 9.818 -1.467 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.557 10.053 -3.628 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.631 9.741 -1.997 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.960 8.521 -3.211 1.00 0.00 H new ATOM 0 HG2 ARG A 100 2.729 10.172 -4.562 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.080 10.748 -4.705 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.811 11.798 -2.241 1.00 0.00 H new ATOM 0 HD3 ARG A 100 3.335 11.852 -3.105 1.00 0.00 H new ATOM 0 HE ARG A 100 1.116 12.850 -4.740 1.00 0.00 H new ATOM 0 HH11 ARG A 100 3.450 13.737 -2.185 1.00 0.00 H new ATOM 0 HH12 ARG A 100 3.384 15.461 -2.561 1.00 0.00 H new ATOM 0 HH21 ARG A 100 1.044 15.047 -5.209 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.010 16.202 -4.286 1.00 0.00 H new ATOM 1471 N PHE A 101 -1.387 7.999 -4.823 1.00 0.00 N ATOM 1472 CA PHE A 101 -1.715 6.902 -5.716 1.00 0.00 C ATOM 1473 C PHE A 101 -1.613 7.337 -7.179 1.00 0.00 C ATOM 1474 O PHE A 101 -1.510 8.528 -7.471 1.00 0.00 O ATOM 1475 CB PHE A 101 -3.160 6.498 -5.416 1.00 0.00 C ATOM 1476 CG PHE A 101 -3.414 4.992 -5.492 1.00 0.00 C ATOM 1477 CD1 PHE A 101 -3.540 4.382 -6.702 1.00 0.00 C ATOM 1478 CD2 PHE A 101 -3.513 4.261 -4.349 1.00 0.00 C ATOM 1479 CE1 PHE A 101 -3.776 2.984 -6.771 1.00 0.00 C ATOM 1480 CE2 PHE A 101 -3.749 2.862 -4.418 1.00 0.00 C ATOM 1481 CZ PHE A 101 -3.875 2.254 -5.628 1.00 0.00 C ATOM 0 H PHE A 101 -2.044 8.779 -4.845 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.021 6.076 -5.561 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.426 6.851 -4.419 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.821 7.003 -6.120 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.460 4.962 -7.610 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.412 4.745 -3.389 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.877 2.500 -7.731 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.828 2.282 -3.511 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.054 1.190 -5.681 1.00 0.00 H new ATOM 1490 N GLU A 102 -1.644 6.348 -8.061 1.00 0.00 N ATOM 1491 CA GLU A 102 -1.556 6.615 -9.487 1.00 0.00 C ATOM 1492 C GLU A 102 -2.455 5.650 -10.264 1.00 0.00 C ATOM 1493 O GLU A 102 -3.602 5.425 -9.885 1.00 0.00 O ATOM 1494 CB GLU A 102 -0.108 6.527 -9.974 1.00 0.00 C ATOM 1495 CG GLU A 102 0.228 7.690 -10.908 1.00 0.00 C ATOM 1496 CD GLU A 102 0.519 7.189 -12.324 1.00 0.00 C ATOM 1497 OE1 GLU A 102 1.674 6.874 -12.646 1.00 0.00 O ATOM 1498 OE2 GLU A 102 -0.508 7.130 -13.104 1.00 0.00 O ATOM 0 H GLU A 102 -1.729 5.362 -7.816 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.904 7.632 -9.668 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.568 6.536 -9.119 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.048 5.582 -10.494 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.603 8.394 -10.931 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.093 8.231 -10.525 1.00 0.00 H new ATOM 1504 N GLN A 103 -1.897 5.106 -11.335 1.00 0.00 N ATOM 1505 CA GLN A 103 -2.633 4.170 -12.168 1.00 0.00 C ATOM 1506 C GLN A 103 -1.666 3.259 -12.926 1.00 0.00 C ATOM 1507 O GLN A 103 -0.981 3.703 -13.846 1.00 0.00 O ATOM 1508 CB GLN A 103 -3.562 4.909 -13.134 1.00 0.00 C ATOM 1509 CG GLN A 103 -3.971 6.270 -12.568 1.00 0.00 C ATOM 1510 CD GLN A 103 -4.720 7.097 -13.615 1.00 0.00 C ATOM 1511 OE1 GLN A 103 -4.281 7.264 -14.742 1.00 0.00 O ATOM 1512 NE2 GLN A 103 -5.871 7.603 -13.183 1.00 0.00 N ATOM 0 H GLN A 103 -0.944 5.295 -11.645 1.00 0.00 H new ATOM 0 HA GLN A 103 -3.254 3.550 -11.522 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -3.062 5.045 -14.093 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -4.451 4.307 -13.321 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.603 6.128 -11.691 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -3.085 6.812 -12.238 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -6.180 7.425 -12.227 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -6.445 8.170 -13.807 1.00 0.00 H new ATOM 1519 N SER A 104 -1.641 2.001 -12.512 1.00 0.00 N ATOM 1520 CA SER A 104 -0.769 1.023 -13.140 1.00 0.00 C ATOM 1521 C SER A 104 0.655 1.575 -13.233 1.00 0.00 C ATOM 1522 O SER A 104 1.526 1.193 -12.453 1.00 0.00 O ATOM 1523 CB SER A 104 -1.281 0.640 -14.530 1.00 0.00 C ATOM 1524 OG SER A 104 -0.262 0.049 -15.331 1.00 0.00 O ATOM 0 H SER A 104 -2.211 1.636 -11.749 1.00 0.00 H new ATOM 0 HA SER A 104 -0.764 0.124 -12.524 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.113 -0.057 -14.430 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.667 1.528 -15.031 1.00 0.00 H new ATOM 0 HG SER A 104 -0.630 -0.183 -16.209 1.00 0.00 H new ATOM 1529 N GLU A 105 0.848 2.466 -14.194 1.00 0.00 N ATOM 1530 CA GLU A 105 2.151 3.075 -14.400 1.00 0.00 C ATOM 1531 C GLU A 105 2.892 3.206 -13.067 1.00 0.00 C ATOM 1532 O GLU A 105 4.115 3.095 -13.020 1.00 0.00 O ATOM 1533 CB GLU A 105 2.020 4.434 -15.090 1.00 0.00 C ATOM 1534 CG GLU A 105 3.395 5.035 -15.386 1.00 0.00 C ATOM 1535 CD GLU A 105 3.654 5.095 -16.892 1.00 0.00 C ATOM 1536 OE1 GLU A 105 3.788 6.192 -17.455 1.00 0.00 O ATOM 1537 OE2 GLU A 105 3.716 3.949 -17.481 1.00 0.00 O ATOM 0 H GLU A 105 0.123 2.781 -14.839 1.00 0.00 H new ATOM 0 HA GLU A 105 2.733 2.427 -15.056 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.461 4.321 -16.019 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.451 5.114 -14.456 1.00 0.00 H new ATOM 0 HG2 GLU A 105 3.456 6.038 -14.963 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.169 4.437 -14.904 1.00 0.00 H new ATOM 1543 N GLN A 106 2.119 3.441 -12.017 1.00 0.00 N ATOM 1544 CA GLN A 106 2.685 3.588 -10.688 1.00 0.00 C ATOM 1545 C GLN A 106 3.687 2.465 -10.411 1.00 0.00 C ATOM 1546 O GLN A 106 4.583 2.618 -9.582 1.00 0.00 O ATOM 1547 CB GLN A 106 1.587 3.618 -9.624 1.00 0.00 C ATOM 1548 CG GLN A 106 2.185 3.762 -8.223 1.00 0.00 C ATOM 1549 CD GLN A 106 1.430 4.817 -7.410 1.00 0.00 C ATOM 1550 OE1 GLN A 106 0.213 4.825 -7.335 1.00 0.00 O ATOM 1551 NE2 GLN A 106 2.220 5.701 -6.807 1.00 0.00 N ATOM 0 H GLN A 106 1.104 3.533 -12.060 1.00 0.00 H new ATOM 0 HA GLN A 106 3.214 4.540 -10.643 1.00 0.00 H new ATOM 0 HB2 GLN A 106 0.908 4.448 -9.820 1.00 0.00 H new ATOM 0 HB3 GLN A 106 0.997 2.703 -9.679 1.00 0.00 H new ATOM 0 HG2 GLN A 106 2.146 2.803 -7.707 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.236 4.040 -8.299 1.00 0.00 H new ATOM 0 HE21 GLN A 106 3.232 5.636 -6.912 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.813 6.444 -6.239 1.00 0.00 H new ATOM 1558 N GLN A 107 3.502 1.362 -11.120 1.00 0.00 N ATOM 1559 CA GLN A 107 4.378 0.214 -10.960 1.00 0.00 C ATOM 1560 C GLN A 107 5.837 0.668 -10.871 1.00 0.00 C ATOM 1561 O GLN A 107 6.690 -0.068 -10.375 1.00 0.00 O ATOM 1562 CB GLN A 107 4.185 -0.786 -12.103 1.00 0.00 C ATOM 1563 CG GLN A 107 5.313 -1.819 -12.124 1.00 0.00 C ATOM 1564 CD GLN A 107 5.131 -2.807 -13.279 1.00 0.00 C ATOM 1565 OE1 GLN A 107 4.239 -3.639 -13.282 1.00 0.00 O ATOM 1566 NE2 GLN A 107 6.024 -2.668 -14.254 1.00 0.00 N ATOM 0 H GLN A 107 2.758 1.239 -11.807 1.00 0.00 H new ATOM 0 HA GLN A 107 4.117 -0.291 -10.030 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.226 -1.292 -11.990 1.00 0.00 H new ATOM 0 HB3 GLN A 107 4.156 -0.255 -13.054 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.273 -1.312 -12.222 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.333 -2.360 -11.178 1.00 0.00 H new ATOM 0 HE21 GLN A 107 6.745 -1.950 -14.187 1.00 0.00 H new ATOM 0 HE22 GLN A 107 5.988 -3.280 -15.069 1.00 0.00 H new ATOM 1573 N ALA A 108 6.079 1.876 -11.357 1.00 0.00 N ATOM 1574 CA ALA A 108 7.419 2.437 -11.337 1.00 0.00 C ATOM 1575 C ALA A 108 7.609 3.248 -10.055 1.00 0.00 C ATOM 1576 O ALA A 108 8.658 3.171 -9.418 1.00 0.00 O ATOM 1577 CB ALA A 108 7.638 3.277 -12.597 1.00 0.00 C ATOM 0 H ALA A 108 5.369 2.483 -11.767 1.00 0.00 H new ATOM 0 HA ALA A 108 8.167 1.645 -11.338 1.00 0.00 H new ATOM 0 HB1 ALA A 108 8.643 3.699 -12.583 1.00 0.00 H new ATOM 0 HB2 ALA A 108 7.521 2.647 -13.479 1.00 0.00 H new ATOM 0 HB3 ALA A 108 6.906 4.084 -12.628 1.00 0.00 H new ATOM 1583 N LEU A 109 6.577 4.006 -9.714 1.00 0.00 N ATOM 1584 CA LEU A 109 6.618 4.830 -8.517 1.00 0.00 C ATOM 1585 C LEU A 109 6.501 3.936 -7.282 1.00 0.00 C ATOM 1586 O LEU A 109 6.908 4.324 -6.188 1.00 0.00 O ATOM 1587 CB LEU A 109 5.553 5.926 -8.586 1.00 0.00 C ATOM 1588 CG LEU A 109 5.308 6.706 -7.293 1.00 0.00 C ATOM 1589 CD1 LEU A 109 6.587 7.403 -6.822 1.00 0.00 C ATOM 1590 CD2 LEU A 109 4.146 7.689 -7.456 1.00 0.00 C ATOM 0 H LEU A 109 5.708 4.067 -10.245 1.00 0.00 H new ATOM 0 HA LEU A 109 7.574 5.349 -8.444 1.00 0.00 H new ATOM 0 HB2 LEU A 109 5.838 6.633 -9.365 1.00 0.00 H new ATOM 0 HB3 LEU A 109 4.612 5.472 -8.897 1.00 0.00 H new ATOM 0 HG LEU A 109 5.023 5.997 -6.516 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.385 7.950 -5.901 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.361 6.658 -6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.927 8.098 -7.590 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.993 8.230 -6.522 1.00 0.00 H new ATOM 0 HD22 LEU A 109 4.377 8.397 -8.252 1.00 0.00 H new ATOM 0 HD23 LEU A 109 3.239 7.141 -7.710 1.00 0.00 H new ATOM 1601 N LEU A 110 5.941 2.754 -7.498 1.00 0.00 N ATOM 1602 CA LEU A 110 5.765 1.801 -6.415 1.00 0.00 C ATOM 1603 C LEU A 110 7.117 1.539 -5.747 1.00 0.00 C ATOM 1604 O LEU A 110 7.219 1.549 -4.521 1.00 0.00 O ATOM 1605 CB LEU A 110 5.075 0.534 -6.924 1.00 0.00 C ATOM 1606 CG LEU A 110 3.587 0.667 -7.254 1.00 0.00 C ATOM 1607 CD1 LEU A 110 3.076 -0.572 -7.995 1.00 0.00 C ATOM 1608 CD2 LEU A 110 2.769 0.959 -5.995 1.00 0.00 C ATOM 0 H LEU A 110 5.604 2.435 -8.406 1.00 0.00 H new ATOM 0 HA LEU A 110 5.105 2.211 -5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.596 0.195 -7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.192 -0.246 -6.172 1.00 0.00 H new ATOM 0 HG LEU A 110 3.461 1.518 -7.924 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.016 -0.451 -8.217 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.630 -0.694 -8.925 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.218 -1.454 -7.370 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.715 1.049 -6.258 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.897 0.145 -5.281 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.112 1.892 -5.547 1.00 0.00 H new ATOM 1619 N THR A 111 8.119 1.311 -6.582 1.00 0.00 N ATOM 1620 CA THR A 111 9.459 1.048 -6.087 1.00 0.00 C ATOM 1621 C THR A 111 9.921 2.180 -5.168 1.00 0.00 C ATOM 1622 O THR A 111 11.017 2.125 -4.611 1.00 0.00 O ATOM 1623 CB THR A 111 10.375 0.833 -7.294 1.00 0.00 C ATOM 1624 OG1 THR A 111 10.637 -0.567 -7.287 1.00 0.00 O ATOM 1625 CG2 THR A 111 11.752 1.471 -7.105 1.00 0.00 C ATOM 0 H THR A 111 8.030 1.303 -7.598 1.00 0.00 H new ATOM 0 HA THR A 111 9.484 0.146 -5.476 1.00 0.00 H new ATOM 0 HB THR A 111 9.903 1.246 -8.185 1.00 0.00 H new ATOM 0 HG1 THR A 111 11.223 -0.794 -8.039 1.00 0.00 H new ATOM 0 HG21 THR A 111 12.362 1.289 -7.990 1.00 0.00 H new ATOM 0 HG22 THR A 111 11.638 2.545 -6.957 1.00 0.00 H new ATOM 0 HG23 THR A 111 12.239 1.034 -6.233 1.00 0.00 H new ATOM 1633 N LEU A 112 9.062 3.180 -5.037 1.00 0.00 N ATOM 1634 CA LEU A 112 9.369 4.324 -4.194 1.00 0.00 C ATOM 1635 C LEU A 112 9.873 5.475 -5.068 1.00 0.00 C ATOM 1636 O LEU A 112 10.503 6.407 -4.570 1.00 0.00 O ATOM 1637 CB LEU A 112 10.340 3.926 -3.082 1.00 0.00 C ATOM 1638 CG LEU A 112 11.792 4.368 -3.269 1.00 0.00 C ATOM 1639 CD1 LEU A 112 12.205 5.366 -2.185 1.00 0.00 C ATOM 1640 CD2 LEU A 112 12.731 3.161 -3.324 1.00 0.00 C ATOM 0 H LEU A 112 8.154 3.222 -5.500 1.00 0.00 H new ATOM 0 HA LEU A 112 8.470 4.676 -3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 112 9.974 4.339 -2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 112 10.322 2.841 -2.982 1.00 0.00 H new ATOM 0 HG LEU A 112 11.872 4.881 -4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 112 13.242 5.664 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 112 11.563 6.245 -2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 112 12.105 4.900 -1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 112 13.757 3.504 -3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 112 12.655 2.598 -2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 112 12.451 2.520 -4.160 1.00 0.00 H new ATOM 1651 N GLY A 113 9.577 5.372 -6.355 1.00 0.00 N ATOM 1652 CA GLY A 113 9.992 6.393 -7.303 1.00 0.00 C ATOM 1653 C GLY A 113 11.476 6.723 -7.136 1.00 0.00 C ATOM 1654 O GLY A 113 11.932 7.781 -7.567 1.00 0.00 O ATOM 0 H GLY A 113 9.055 4.597 -6.764 1.00 0.00 H new ATOM 0 HA2 GLY A 113 9.804 6.048 -8.320 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.396 7.294 -7.157 1.00 0.00 H new ATOM 1658 N VAL A 114 12.189 5.798 -6.511 1.00 0.00 N ATOM 1659 CA VAL A 114 13.613 5.977 -6.282 1.00 0.00 C ATOM 1660 C VAL A 114 14.302 4.612 -6.284 1.00 0.00 C ATOM 1661 O VAL A 114 14.586 4.055 -5.225 1.00 0.00 O ATOM 1662 CB VAL A 114 13.841 6.760 -4.987 1.00 0.00 C ATOM 1663 CG1 VAL A 114 15.190 6.404 -4.362 1.00 0.00 C ATOM 1664 CG2 VAL A 114 13.731 8.267 -5.231 1.00 0.00 C ATOM 0 H VAL A 114 11.807 4.921 -6.156 1.00 0.00 H new ATOM 0 HA VAL A 114 14.057 6.566 -7.085 1.00 0.00 H new ATOM 0 HB VAL A 114 13.060 6.476 -4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 114 15.327 6.974 -3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 114 15.216 5.338 -4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 114 15.990 6.645 -5.062 1.00 0.00 H new ATOM 0 HG21 VAL A 114 13.897 8.800 -4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 114 14.480 8.573 -5.961 1.00 0.00 H new ATOM 0 HG23 VAL A 114 12.737 8.502 -5.611 1.00 0.00 H new ATOM 1674 N ALA A 115 14.551 4.111 -7.486 1.00 0.00 N ATOM 1675 CA ALA A 115 15.201 2.821 -7.639 1.00 0.00 C ATOM 1676 C ALA A 115 14.996 2.318 -9.070 1.00 0.00 C ATOM 1677 O ALA A 115 13.991 1.674 -9.367 1.00 0.00 O ATOM 1678 CB ALA A 115 14.654 1.846 -6.594 1.00 0.00 C ATOM 0 H ALA A 115 14.314 4.576 -8.362 1.00 0.00 H new ATOM 0 HA ALA A 115 16.274 2.910 -7.471 1.00 0.00 H new ATOM 0 HB1 ALA A 115 15.142 0.878 -6.709 1.00 0.00 H new ATOM 0 HB2 ALA A 115 14.851 2.235 -5.595 1.00 0.00 H new ATOM 0 HB3 ALA A 115 13.579 1.729 -6.733 1.00 0.00 H new