USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 711 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 NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 49 HIS HE2 : A 49 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 81 HIS HE2 : A 81 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 85 HIS HE2 : A 85 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 39 HIS : no HD1:sc= -0.261 K(o=0.57,f=-0.53) USER MOD Set 1.2: A 43 THR OG1 : rot 160:sc= 0.831 USER MOD Set 2.1: A 17 LYS NZ :NH3+ -159:sc=0.000464 (180deg=-0.0434) USER MOD Set 2.2: A 30 SER OG : rot 31:sc= 0.127 USER MOD Set 3.1: A 5 SER OG : rot -124:sc= 0.49 USER MOD Set 3.2: A 6 SER OG : rot 180:sc= 0.0326 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.352 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -176:sc= -0.398 (180deg=-0.51) USER MOD Single : A 12 GLN : amide:sc= -4.02! C(o=-4!,f=-6.4!) USER MOD Single : A 15 SER OG : rot 180:sc= 0.00498 USER MOD Single : A 23 GLN : amide:sc= -9.47! C(o=-9.5!,f=-14!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -163:sc= 0.0444 (180deg=0.0202) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 44:sc= 0.0508 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 160:sc= -2.11 USER MOD Single : A 38 MET CE :methyl 164:sc= -1.2 (180deg=-1.73) USER MOD Single : A 46 THR OG1 : rot 117:sc= 1.14 USER MOD Single : A 47 MET CE :methyl 166:sc= -0.407 (180deg=-1.05) USER MOD Single : A 55 GLN : amide:sc= -0.536 X(o=-0.54,f=-0.28) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 57 ASN : amide:sc= -1.65 X(o=-1.7,f=-2) USER MOD Single : A 58 HIS : no HD1:sc= -1.61 X(o=-1.6,f=-1.5) USER MOD Single : A 61 TYR OH : rot -19:sc= 0.166 USER MOD Single : A 70 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0529) USER MOD Single : A 71 SER OG : rot -72:sc= 0.427 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -1.88! C(o=-1.9!,f=-3!) USER MOD Single : A 86 THR OG1 : rot -15:sc= 0.123 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -68:sc= 0.625 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= -1.62! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.343 27.207 19.644 1.00 0.00 N ATOM 2 CA GLY A 1 -24.262 27.827 20.953 1.00 0.00 C ATOM 3 C GLY A 1 -23.060 28.741 21.088 1.00 0.00 C ATOM 4 O GLY A 1 -23.191 29.892 21.506 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.181 26.592 19.602 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.418 27.945 18.915 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.488 26.639 19.475 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.172 28.398 21.138 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.212 27.051 21.717 1.00 0.00 H new ATOM 8 N SER A 2 -21.886 28.229 20.735 1.00 0.00 N ATOM 9 CA SER A 2 -20.655 29.005 20.824 1.00 0.00 C ATOM 10 C SER A 2 -20.188 29.444 19.439 1.00 0.00 C ATOM 11 O SER A 2 -20.600 30.488 18.935 1.00 0.00 O ATOM 12 CB SER A 2 -19.559 28.187 21.509 1.00 0.00 C ATOM 13 OG SER A 2 -18.278 28.736 21.254 1.00 0.00 O ATOM 0 H SER A 2 -21.761 27.279 20.384 1.00 0.00 H new ATOM 0 HA SER A 2 -20.859 29.895 21.419 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.739 28.160 22.584 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.594 27.157 21.154 1.00 0.00 H new ATOM 0 HG SER A 2 -17.595 28.196 21.704 1.00 0.00 H new ATOM 19 N SER A 3 -19.325 28.637 18.830 1.00 0.00 N ATOM 20 CA SER A 3 -18.798 28.943 17.505 1.00 0.00 C ATOM 21 C SER A 3 -17.883 27.825 17.013 1.00 0.00 C ATOM 22 O SER A 3 -17.435 26.986 17.794 1.00 0.00 O ATOM 23 CB SER A 3 -18.034 30.268 17.530 1.00 0.00 C ATOM 24 OG SER A 3 -17.878 30.791 16.222 1.00 0.00 O ATOM 0 H SER A 3 -18.976 27.767 19.232 1.00 0.00 H new ATOM 0 HA SER A 3 -19.640 29.030 16.818 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.567 30.987 18.152 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.055 30.118 17.985 1.00 0.00 H new ATOM 0 HG SER A 3 -17.388 31.639 16.265 1.00 0.00 H new ATOM 30 N GLY A 4 -17.610 27.821 15.712 1.00 0.00 N ATOM 31 CA GLY A 4 -16.751 26.803 15.137 1.00 0.00 C ATOM 32 C GLY A 4 -15.419 27.361 14.677 1.00 0.00 C ATOM 33 O GLY A 4 -14.878 28.280 15.290 1.00 0.00 O ATOM 0 H GLY A 4 -17.969 28.505 15.046 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.578 26.019 15.874 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.259 26.339 14.291 1.00 0.00 H new ATOM 37 N SER A 5 -14.888 26.803 13.594 1.00 0.00 N ATOM 38 CA SER A 5 -13.608 27.247 13.054 1.00 0.00 C ATOM 39 C SER A 5 -13.564 27.066 11.540 1.00 0.00 C ATOM 40 O SER A 5 -14.597 26.883 10.896 1.00 0.00 O ATOM 41 CB SER A 5 -12.460 26.471 13.705 1.00 0.00 C ATOM 42 OG SER A 5 -11.211 27.078 13.423 1.00 0.00 O ATOM 0 H SER A 5 -15.324 26.042 13.073 1.00 0.00 H new ATOM 0 HA SER A 5 -13.495 28.308 13.279 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.612 26.427 14.784 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.459 25.443 13.341 1.00 0.00 H new ATOM 0 HG SER A 5 -10.616 26.422 13.004 1.00 0.00 H new ATOM 48 N SER A 6 -12.361 27.120 10.978 1.00 0.00 N ATOM 49 CA SER A 6 -12.181 26.967 9.539 1.00 0.00 C ATOM 50 C SER A 6 -13.183 25.967 8.970 1.00 0.00 C ATOM 51 O SER A 6 -13.393 24.894 9.534 1.00 0.00 O ATOM 52 CB SER A 6 -10.754 26.512 9.228 1.00 0.00 C ATOM 53 OG SER A 6 -9.809 27.237 9.994 1.00 0.00 O ATOM 0 H SER A 6 -11.496 27.269 11.497 1.00 0.00 H new ATOM 0 HA SER A 6 -12.355 27.935 9.070 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.655 25.447 9.437 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.548 26.649 8.166 1.00 0.00 H new ATOM 0 HG SER A 6 -8.905 26.926 9.778 1.00 0.00 H new ATOM 59 N GLY A 7 -13.797 26.327 7.848 1.00 0.00 N ATOM 60 CA GLY A 7 -14.769 25.451 7.220 1.00 0.00 C ATOM 61 C GLY A 7 -14.191 24.693 6.041 1.00 0.00 C ATOM 62 O GLY A 7 -14.358 25.101 4.892 1.00 0.00 O ATOM 0 H GLY A 7 -13.639 27.210 7.362 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.142 24.740 7.957 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.622 26.041 6.885 1.00 0.00 H new ATOM 66 N GLN A 8 -13.508 23.589 6.327 1.00 0.00 N ATOM 67 CA GLN A 8 -12.901 22.775 5.280 1.00 0.00 C ATOM 68 C GLN A 8 -13.970 22.127 4.406 1.00 0.00 C ATOM 69 O GLN A 8 -15.040 21.739 4.876 1.00 0.00 O ATOM 70 CB GLN A 8 -12.008 21.698 5.897 1.00 0.00 C ATOM 71 CG GLN A 8 -10.549 22.109 6.012 1.00 0.00 C ATOM 72 CD GLN A 8 -9.645 20.955 6.398 1.00 0.00 C ATOM 73 OE1 GLN A 8 -9.660 20.494 7.539 1.00 0.00 O ATOM 74 NE2 GLN A 8 -8.852 20.480 5.445 1.00 0.00 N ATOM 0 H GLN A 8 -13.361 23.238 7.273 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.292 23.427 4.654 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.386 21.449 6.889 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.075 20.793 5.294 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.216 22.523 5.060 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.456 22.902 6.754 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.872 20.892 4.512 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.223 19.703 5.646 1.00 0.00 H new ATOM 83 N PRO A 9 -13.676 22.008 3.103 1.00 0.00 N ATOM 84 CA PRO A 9 -14.599 21.407 2.135 1.00 0.00 C ATOM 85 C PRO A 9 -14.755 19.904 2.339 1.00 0.00 C ATOM 86 O PRO A 9 -13.816 19.224 2.755 1.00 0.00 O ATOM 87 CB PRO A 9 -13.938 21.698 0.786 1.00 0.00 C ATOM 88 CG PRO A 9 -12.489 21.844 1.098 1.00 0.00 C ATOM 89 CD PRO A 9 -12.420 22.449 2.474 1.00 0.00 C ATOM 0 HA PRO A 9 -15.607 21.812 2.227 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.111 20.888 0.078 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.340 22.606 0.336 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.985 20.878 1.071 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.995 22.482 0.366 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.549 22.096 3.025 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.351 23.536 2.432 1.00 0.00 H new ATOM 97 N ILE A 10 -15.945 19.391 2.043 1.00 0.00 N ATOM 98 CA ILE A 10 -16.221 17.968 2.193 1.00 0.00 C ATOM 99 C ILE A 10 -15.034 17.126 1.738 1.00 0.00 C ATOM 100 O ILE A 10 -14.189 17.588 0.970 1.00 0.00 O ATOM 101 CB ILE A 10 -17.469 17.550 1.392 1.00 0.00 C ATOM 102 CG1 ILE A 10 -18.537 16.984 2.331 1.00 0.00 C ATOM 103 CG2 ILE A 10 -17.098 16.529 0.327 1.00 0.00 C ATOM 104 CD1 ILE A 10 -19.425 15.947 1.679 1.00 0.00 C ATOM 0 H ILE A 10 -16.733 19.940 1.698 1.00 0.00 H new ATOM 0 HA ILE A 10 -16.403 17.792 3.253 1.00 0.00 H new ATOM 0 HB ILE A 10 -17.877 18.431 0.896 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -18.049 16.539 3.198 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -19.157 17.802 2.699 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -17.990 16.244 -0.230 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -16.368 16.964 -0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.670 15.647 0.802 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -20.158 15.589 2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -19.941 16.393 0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -18.816 15.111 1.336 1.00 0.00 H new ATOM 116 N LYS A 11 -14.977 15.887 2.214 1.00 0.00 N ATOM 117 CA LYS A 11 -13.895 14.978 1.855 1.00 0.00 C ATOM 118 C LYS A 11 -14.446 13.627 1.410 1.00 0.00 C ATOM 119 O LYS A 11 -15.613 13.315 1.644 1.00 0.00 O ATOM 120 CB LYS A 11 -12.946 14.788 3.040 1.00 0.00 C ATOM 121 CG LYS A 11 -12.083 16.005 3.329 1.00 0.00 C ATOM 122 CD LYS A 11 -11.092 15.732 4.448 1.00 0.00 C ATOM 123 CE LYS A 11 -9.714 15.393 3.901 1.00 0.00 C ATOM 124 NZ LYS A 11 -9.779 14.348 2.842 1.00 0.00 N ATOM 0 H LYS A 11 -15.668 15.489 2.850 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.344 15.419 1.024 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.531 14.548 3.928 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -12.299 13.933 2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.544 16.293 2.426 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.719 16.847 3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.023 16.606 5.096 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.454 14.908 5.063 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.253 16.293 3.495 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.076 15.047 4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.815 14.096 2.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.257 13.504 3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.310 14.713 2.026 1.00 0.00 H new ATOM 138 N GLN A 12 -13.597 12.829 0.769 1.00 0.00 N ATOM 139 CA GLN A 12 -14.000 11.512 0.292 1.00 0.00 C ATOM 140 C GLN A 12 -13.540 10.421 1.254 1.00 0.00 C ATOM 141 O GLN A 12 -12.898 10.703 2.265 1.00 0.00 O ATOM 142 CB GLN A 12 -13.426 11.253 -1.102 1.00 0.00 C ATOM 143 CG GLN A 12 -12.746 12.466 -1.715 1.00 0.00 C ATOM 144 CD GLN A 12 -13.641 13.689 -1.736 1.00 0.00 C ATOM 145 OE1 GLN A 12 -13.374 14.681 -1.058 1.00 0.00 O ATOM 146 NE2 GLN A 12 -14.713 13.625 -2.518 1.00 0.00 N ATOM 0 H GLN A 12 -12.627 13.072 0.569 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.088 11.490 0.239 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -12.708 10.435 -1.044 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.230 10.925 -1.762 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.840 12.693 -1.152 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -12.438 12.229 -2.733 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.897 12.783 -3.064 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -15.352 14.418 -2.573 1.00 0.00 H new ATOM 155 N GLU A 13 -13.875 9.175 0.933 1.00 0.00 N ATOM 156 CA GLU A 13 -13.497 8.043 1.770 1.00 0.00 C ATOM 157 C GLU A 13 -12.480 7.156 1.059 1.00 0.00 C ATOM 158 O GLU A 13 -12.846 6.265 0.290 1.00 0.00 O ATOM 159 CB GLU A 13 -14.733 7.222 2.144 1.00 0.00 C ATOM 160 CG GLU A 13 -16.034 8.001 2.045 1.00 0.00 C ATOM 161 CD GLU A 13 -17.220 7.226 2.586 1.00 0.00 C ATOM 162 OE1 GLU A 13 -17.004 6.297 3.392 1.00 0.00 O ATOM 163 OE2 GLU A 13 -18.364 7.548 2.203 1.00 0.00 O ATOM 0 H GLU A 13 -14.407 8.924 0.100 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.040 8.433 2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.791 6.350 1.492 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.618 6.851 3.163 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.935 8.937 2.594 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.219 8.261 1.003 1.00 0.00 H new ATOM 170 N LEU A 14 -11.202 7.405 1.320 1.00 0.00 N ATOM 171 CA LEU A 14 -10.130 6.630 0.705 1.00 0.00 C ATOM 172 C LEU A 14 -10.221 5.161 1.105 1.00 0.00 C ATOM 173 O LEU A 14 -10.021 4.811 2.268 1.00 0.00 O ATOM 174 CB LEU A 14 -8.767 7.196 1.108 1.00 0.00 C ATOM 175 CG LEU A 14 -8.608 8.712 0.985 1.00 0.00 C ATOM 176 CD1 LEU A 14 -7.639 9.234 2.035 1.00 0.00 C ATOM 177 CD2 LEU A 14 -8.135 9.087 -0.412 1.00 0.00 C ATOM 0 H LEU A 14 -10.882 8.138 1.954 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.240 6.701 -0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.569 6.913 2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.002 6.719 0.495 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.580 9.175 1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.538 10.314 1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.018 8.998 3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.665 8.764 1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.027 10.169 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.173 8.613 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.865 8.747 -1.147 1.00 0.00 H new ATOM 189 N SER A 15 -10.523 4.306 0.133 1.00 0.00 N ATOM 190 CA SER A 15 -10.643 2.874 0.385 1.00 0.00 C ATOM 191 C SER A 15 -9.347 2.151 0.032 1.00 0.00 C ATOM 192 O SER A 15 -8.499 2.684 -0.684 1.00 0.00 O ATOM 193 CB SER A 15 -11.803 2.288 -0.423 1.00 0.00 C ATOM 194 OG SER A 15 -12.585 3.314 -1.010 1.00 0.00 O ATOM 0 H SER A 15 -10.689 4.579 -0.836 1.00 0.00 H new ATOM 0 HA SER A 15 -10.841 2.732 1.447 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.413 1.633 -1.202 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.429 1.675 0.225 1.00 0.00 H new ATOM 0 HG SER A 15 -13.319 2.914 -1.522 1.00 0.00 H new ATOM 200 N CYS A 16 -9.199 0.932 0.542 1.00 0.00 N ATOM 201 CA CYS A 16 -8.007 0.134 0.283 1.00 0.00 C ATOM 202 C CYS A 16 -8.339 -1.070 -0.594 1.00 0.00 C ATOM 203 O CYS A 16 -8.849 -2.082 -0.113 1.00 0.00 O ATOM 204 CB CYS A 16 -7.387 -0.337 1.601 1.00 0.00 C ATOM 205 SG CYS A 16 -6.303 -1.791 1.434 1.00 0.00 S ATOM 0 H CYS A 16 -9.890 0.476 1.137 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.288 0.760 -0.246 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.814 0.483 2.034 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.187 -0.572 2.303 1.00 0.00 H new ATOM 210 N LYS A 17 -8.046 -0.953 -1.885 1.00 0.00 N ATOM 211 CA LYS A 17 -8.310 -2.031 -2.831 1.00 0.00 C ATOM 212 C LYS A 17 -7.186 -3.061 -2.810 1.00 0.00 C ATOM 213 O LYS A 17 -6.709 -3.494 -3.859 1.00 0.00 O ATOM 214 CB LYS A 17 -8.475 -1.467 -4.244 1.00 0.00 C ATOM 215 CG LYS A 17 -9.703 -0.590 -4.410 1.00 0.00 C ATOM 216 CD LYS A 17 -10.983 -1.369 -4.159 1.00 0.00 C ATOM 217 CE LYS A 17 -11.611 -0.995 -2.825 1.00 0.00 C ATOM 218 NZ LYS A 17 -12.919 -1.676 -2.618 1.00 0.00 N ATOM 0 H LYS A 17 -7.625 -0.122 -2.300 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.235 -2.524 -2.533 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.588 -0.888 -4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.531 -2.294 -4.952 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.647 0.251 -3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.721 -0.174 -5.417 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.692 -1.174 -4.963 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.769 -2.438 -4.175 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.931 -1.261 -2.016 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.753 0.085 -2.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.474 -1.155 -1.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.443 -1.703 -3.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.756 -2.647 -2.284 1.00 0.00 H new ATOM 232 N TRP A 18 -6.768 -3.450 -1.611 1.00 0.00 N ATOM 233 CA TRP A 18 -5.700 -4.431 -1.455 1.00 0.00 C ATOM 234 C TRP A 18 -6.245 -5.851 -1.562 1.00 0.00 C ATOM 235 O TRP A 18 -6.715 -6.421 -0.576 1.00 0.00 O ATOM 236 CB TRP A 18 -4.997 -4.241 -0.110 1.00 0.00 C ATOM 237 CG TRP A 18 -3.876 -5.209 0.116 1.00 0.00 C ATOM 238 CD1 TRP A 18 -3.984 -6.507 0.528 1.00 0.00 C ATOM 239 CD2 TRP A 18 -2.477 -4.956 -0.054 1.00 0.00 C ATOM 240 NE1 TRP A 18 -2.737 -7.075 0.623 1.00 0.00 N ATOM 241 CE2 TRP A 18 -1.795 -6.145 0.271 1.00 0.00 C ATOM 242 CE3 TRP A 18 -1.735 -3.841 -0.452 1.00 0.00 C ATOM 243 CZ2 TRP A 18 -0.408 -6.247 0.210 1.00 0.00 C ATOM 244 CZ3 TRP A 18 -0.358 -3.944 -0.511 1.00 0.00 C ATOM 245 CH2 TRP A 18 0.294 -5.140 -0.182 1.00 0.00 C ATOM 0 H TRP A 18 -7.152 -3.101 -0.733 1.00 0.00 H new ATOM 0 HA TRP A 18 -4.979 -4.277 -2.258 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.607 -3.225 -0.052 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.727 -4.348 0.692 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.913 -7.012 0.747 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.544 -8.035 0.909 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.229 -2.915 -0.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.096 -7.168 0.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 0.226 -3.088 -0.816 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.371 -5.189 -0.239 1.00 0.00 H new ATOM 256 N ILE A 19 -6.180 -6.416 -2.763 1.00 0.00 N ATOM 257 CA ILE A 19 -6.667 -7.770 -2.996 1.00 0.00 C ATOM 258 C ILE A 19 -5.604 -8.805 -2.642 1.00 0.00 C ATOM 259 O ILE A 19 -4.738 -9.125 -3.457 1.00 0.00 O ATOM 260 CB ILE A 19 -7.093 -7.970 -4.462 1.00 0.00 C ATOM 261 CG1 ILE A 19 -8.204 -6.985 -4.832 1.00 0.00 C ATOM 262 CG2 ILE A 19 -7.551 -9.403 -4.690 1.00 0.00 C ATOM 263 CD1 ILE A 19 -8.056 -6.400 -6.219 1.00 0.00 C ATOM 0 H ILE A 19 -5.795 -5.958 -3.589 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.535 -7.909 -2.351 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.233 -7.777 -5.104 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.166 -7.492 -4.761 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.217 -6.174 -4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.849 -9.528 -5.731 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.734 -10.087 -4.461 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.399 -9.622 -4.041 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.878 -5.711 -6.413 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.109 -5.864 -6.289 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.074 -7.203 -6.956 1.00 0.00 H new ATOM 275 N ASP A 20 -5.677 -9.326 -1.422 1.00 0.00 N ATOM 276 CA ASP A 20 -4.723 -10.328 -0.960 1.00 0.00 C ATOM 277 C ASP A 20 -5.079 -11.708 -1.503 1.00 0.00 C ATOM 278 O ASP A 20 -5.942 -11.840 -2.370 1.00 0.00 O ATOM 279 CB ASP A 20 -4.687 -10.362 0.569 1.00 0.00 C ATOM 280 CG ASP A 20 -3.291 -10.598 1.110 1.00 0.00 C ATOM 281 OD1 ASP A 20 -2.325 -10.083 0.507 1.00 0.00 O ATOM 282 OD2 ASP A 20 -3.163 -11.297 2.136 1.00 0.00 O ATOM 0 H ASP A 20 -6.387 -9.071 -0.735 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.736 -10.054 -1.333 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.070 -9.419 0.960 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.350 -11.149 0.928 1.00 0.00 H new ATOM 287 N GLU A 21 -4.406 -12.733 -0.988 1.00 0.00 N ATOM 288 CA GLU A 21 -4.650 -14.102 -1.424 1.00 0.00 C ATOM 289 C GLU A 21 -5.150 -14.961 -0.266 1.00 0.00 C ATOM 290 O GLU A 21 -6.153 -15.664 -0.388 1.00 0.00 O ATOM 291 CB GLU A 21 -3.374 -14.710 -2.010 1.00 0.00 C ATOM 292 CG GLU A 21 -3.587 -16.069 -2.655 1.00 0.00 C ATOM 293 CD GLU A 21 -2.842 -16.215 -3.968 1.00 0.00 C ATOM 294 OE1 GLU A 21 -1.812 -15.531 -4.144 1.00 0.00 O ATOM 295 OE2 GLU A 21 -3.288 -17.013 -4.818 1.00 0.00 O ATOM 0 H GLU A 21 -3.688 -12.640 -0.269 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.420 -14.078 -2.195 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.963 -14.026 -2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.631 -14.805 -1.219 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.260 -16.849 -1.967 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.652 -16.222 -2.827 1.00 0.00 H new ATOM 302 N ALA A 22 -4.442 -14.899 0.857 1.00 0.00 N ATOM 303 CA ALA A 22 -4.814 -15.669 2.038 1.00 0.00 C ATOM 304 C ALA A 22 -5.865 -14.935 2.863 1.00 0.00 C ATOM 305 O ALA A 22 -5.854 -14.994 4.092 1.00 0.00 O ATOM 306 CB ALA A 22 -3.584 -15.961 2.885 1.00 0.00 C ATOM 0 H ALA A 22 -3.608 -14.324 0.974 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.246 -16.613 1.706 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.876 -16.536 3.764 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.866 -16.534 2.298 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.128 -15.022 3.201 1.00 0.00 H new ATOM 312 N GLN A 23 -6.771 -14.243 2.179 1.00 0.00 N ATOM 313 CA GLN A 23 -7.828 -13.496 2.851 1.00 0.00 C ATOM 314 C GLN A 23 -8.832 -14.441 3.503 1.00 0.00 C ATOM 315 O GLN A 23 -9.771 -14.003 4.169 1.00 0.00 O ATOM 316 CB GLN A 23 -8.544 -12.579 1.857 1.00 0.00 C ATOM 317 CG GLN A 23 -8.983 -13.286 0.585 1.00 0.00 C ATOM 318 CD GLN A 23 -8.145 -12.898 -0.617 1.00 0.00 C ATOM 319 OE1 GLN A 23 -7.299 -13.668 -1.072 1.00 0.00 O ATOM 320 NE2 GLN A 23 -8.377 -11.700 -1.139 1.00 0.00 N ATOM 0 H GLN A 23 -6.794 -14.184 1.161 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.370 -12.888 3.631 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.418 -12.144 2.341 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.882 -11.754 1.594 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.921 -14.364 0.733 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -10.028 -13.051 0.385 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.088 -11.094 -0.729 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.844 -11.385 -1.950 1.00 0.00 H new ATOM 329 N LEU A 24 -8.628 -15.739 3.307 1.00 0.00 N ATOM 330 CA LEU A 24 -9.516 -16.747 3.876 1.00 0.00 C ATOM 331 C LEU A 24 -10.790 -16.881 3.049 1.00 0.00 C ATOM 332 O LEU A 24 -11.238 -17.989 2.756 1.00 0.00 O ATOM 333 CB LEU A 24 -9.868 -16.388 5.321 1.00 0.00 C ATOM 334 CG LEU A 24 -9.802 -17.533 6.333 1.00 0.00 C ATOM 335 CD1 LEU A 24 -9.435 -17.006 7.711 1.00 0.00 C ATOM 336 CD2 LEU A 24 -11.127 -18.279 6.380 1.00 0.00 C ATOM 0 H LEU A 24 -7.856 -16.118 2.759 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.994 -17.704 3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.194 -15.598 5.652 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.876 -15.974 5.336 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.027 -18.230 6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.393 -17.835 8.418 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.462 -16.517 7.666 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.187 -16.288 8.038 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.062 -19.090 7.105 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.921 -17.592 6.674 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.348 -18.690 5.395 1.00 0.00 H new ATOM 348 N SER A 25 -11.367 -15.744 2.672 1.00 0.00 N ATOM 349 CA SER A 25 -12.590 -15.733 1.879 1.00 0.00 C ATOM 350 C SER A 25 -12.279 -15.505 0.403 1.00 0.00 C ATOM 351 O SER A 25 -11.479 -14.637 0.053 1.00 0.00 O ATOM 352 CB SER A 25 -13.542 -14.648 2.385 1.00 0.00 C ATOM 353 OG SER A 25 -13.357 -14.413 3.770 1.00 0.00 O ATOM 0 H SER A 25 -11.006 -14.818 2.903 1.00 0.00 H new ATOM 0 HA SER A 25 -13.070 -16.706 1.985 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.374 -13.725 1.831 1.00 0.00 H new ATOM 0 HB3 SER A 25 -14.573 -14.948 2.198 1.00 0.00 H new ATOM 0 HG SER A 25 -13.976 -13.714 4.069 1.00 0.00 H new ATOM 359 N ARG A 26 -12.916 -16.291 -0.458 1.00 0.00 N ATOM 360 CA ARG A 26 -12.707 -16.177 -1.896 1.00 0.00 C ATOM 361 C ARG A 26 -14.029 -15.934 -2.620 1.00 0.00 C ATOM 362 O ARG A 26 -15.111 -16.189 -2.091 1.00 0.00 O ATOM 363 CB ARG A 26 -12.042 -17.443 -2.439 1.00 0.00 C ATOM 364 CG ARG A 26 -10.524 -17.363 -2.481 1.00 0.00 C ATOM 365 CD ARG A 26 -10.010 -17.289 -3.910 1.00 0.00 C ATOM 366 NE ARG A 26 -8.768 -18.037 -4.084 1.00 0.00 N ATOM 367 CZ ARG A 26 -7.610 -17.676 -3.541 1.00 0.00 C ATOM 368 NH1 ARG A 26 -7.538 -16.583 -2.793 1.00 0.00 N ATOM 369 NH2 ARG A 26 -6.523 -18.408 -3.745 1.00 0.00 N ATOM 0 H ARG A 26 -13.581 -17.014 -0.185 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.051 -15.325 -2.076 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.336 -18.291 -1.821 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.415 -17.637 -3.445 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.189 -16.486 -1.927 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.099 -18.235 -1.985 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.768 -17.681 -4.589 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.847 -16.246 -4.183 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.790 -18.883 -4.654 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.372 -16.018 -2.634 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.648 -16.307 -2.377 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.575 -19.249 -4.319 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.635 -18.130 -3.328 1.00 0.00 H new ATOM 383 N PRO A 27 -13.940 -15.428 -3.859 1.00 0.00 N ATOM 384 CA PRO A 27 -12.658 -15.119 -4.499 1.00 0.00 C ATOM 385 C PRO A 27 -11.962 -13.924 -3.856 1.00 0.00 C ATOM 386 O PRO A 27 -12.589 -13.131 -3.154 1.00 0.00 O ATOM 387 CB PRO A 27 -13.051 -14.796 -5.943 1.00 0.00 C ATOM 388 CG PRO A 27 -14.465 -14.337 -5.857 1.00 0.00 C ATOM 389 CD PRO A 27 -15.086 -15.117 -4.731 1.00 0.00 C ATOM 0 HA PRO A 27 -11.949 -15.942 -4.410 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.409 -14.023 -6.365 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.958 -15.672 -6.584 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -14.516 -13.265 -5.664 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -14.992 -14.518 -6.794 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -15.843 -14.533 -4.207 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -15.575 -16.022 -5.091 1.00 0.00 H new ATOM 397 N LYS A 28 -10.662 -13.801 -4.100 1.00 0.00 N ATOM 398 CA LYS A 28 -9.880 -12.702 -3.546 1.00 0.00 C ATOM 399 C LYS A 28 -10.692 -11.411 -3.529 1.00 0.00 C ATOM 400 O LYS A 28 -10.715 -10.666 -4.509 1.00 0.00 O ATOM 401 CB LYS A 28 -8.599 -12.500 -4.359 1.00 0.00 C ATOM 402 CG LYS A 28 -7.652 -13.687 -4.307 1.00 0.00 C ATOM 403 CD LYS A 28 -6.489 -13.515 -5.269 1.00 0.00 C ATOM 404 CE LYS A 28 -6.496 -14.586 -6.349 1.00 0.00 C ATOM 405 NZ LYS A 28 -5.121 -15.054 -6.677 1.00 0.00 N ATOM 0 H LYS A 28 -10.127 -14.449 -4.678 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.616 -12.958 -2.520 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.865 -12.303 -5.398 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.080 -11.615 -3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.272 -13.806 -3.292 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.196 -14.599 -4.552 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.541 -12.530 -5.732 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.550 -13.559 -4.718 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.098 -15.432 -6.017 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.969 -14.192 -7.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.133 -15.553 -7.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.481 -14.236 -6.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.787 -15.700 -5.933 1.00 0.00 H new ATOM 419 N LYS A 29 -11.357 -11.151 -2.408 1.00 0.00 N ATOM 420 CA LYS A 29 -12.168 -9.948 -2.261 1.00 0.00 C ATOM 421 C LYS A 29 -11.298 -8.743 -1.919 1.00 0.00 C ATOM 422 O LYS A 29 -10.174 -8.894 -1.439 1.00 0.00 O ATOM 423 CB LYS A 29 -13.226 -10.152 -1.174 1.00 0.00 C ATOM 424 CG LYS A 29 -12.775 -11.070 -0.051 1.00 0.00 C ATOM 425 CD LYS A 29 -13.389 -10.666 1.279 1.00 0.00 C ATOM 426 CE LYS A 29 -14.776 -11.263 1.457 1.00 0.00 C ATOM 427 NZ LYS A 29 -15.252 -11.150 2.864 1.00 0.00 N ATOM 0 H LYS A 29 -11.350 -11.758 -1.588 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.665 -9.756 -3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -13.495 -9.183 -0.754 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -14.127 -10.563 -1.629 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.055 -12.097 -0.285 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.688 -11.045 0.026 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.743 -10.994 2.094 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.449 -9.579 1.338 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.477 -10.756 0.794 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.760 -12.312 1.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.201 -11.568 2.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.597 -11.655 3.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.291 -10.147 3.138 1.00 0.00 H new ATOM 441 N SER A 30 -11.825 -7.549 -2.167 1.00 0.00 N ATOM 442 CA SER A 30 -11.095 -6.318 -1.887 1.00 0.00 C ATOM 443 C SER A 30 -11.025 -6.057 -0.385 1.00 0.00 C ATOM 444 O SER A 30 -12.043 -6.076 0.308 1.00 0.00 O ATOM 445 CB SER A 30 -11.760 -5.134 -2.591 1.00 0.00 C ATOM 446 OG SER A 30 -13.118 -5.009 -2.206 1.00 0.00 O ATOM 0 H SER A 30 -12.755 -7.407 -2.561 1.00 0.00 H new ATOM 0 HA SER A 30 -10.080 -6.433 -2.266 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.224 -4.216 -2.350 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.696 -5.266 -3.671 1.00 0.00 H new ATOM 0 HG SER A 30 -13.227 -5.324 -1.284 1.00 0.00 H new ATOM 452 N CYS A 31 -9.817 -5.814 0.111 1.00 0.00 N ATOM 453 CA CYS A 31 -9.611 -5.550 1.530 1.00 0.00 C ATOM 454 C CYS A 31 -10.793 -4.785 2.118 1.00 0.00 C ATOM 455 O CYS A 31 -11.210 -5.038 3.248 1.00 0.00 O ATOM 456 CB CYS A 31 -8.320 -4.756 1.741 1.00 0.00 C ATOM 457 SG CYS A 31 -8.003 -4.300 3.475 1.00 0.00 S ATOM 0 H CYS A 31 -8.965 -5.794 -0.449 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.528 -6.508 2.044 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.480 -5.344 1.372 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.362 -3.848 1.140 1.00 0.00 H new ATOM 462 N ASP A 32 -11.329 -3.849 1.342 1.00 0.00 N ATOM 463 CA ASP A 32 -12.465 -3.047 1.784 1.00 0.00 C ATOM 464 C ASP A 32 -12.120 -2.270 3.051 1.00 0.00 C ATOM 465 O ASP A 32 -11.977 -2.850 4.127 1.00 0.00 O ATOM 466 CB ASP A 32 -13.681 -3.941 2.034 1.00 0.00 C ATOM 467 CG ASP A 32 -14.984 -3.262 1.662 1.00 0.00 C ATOM 468 OD1 ASP A 32 -15.038 -2.015 1.707 1.00 0.00 O ATOM 469 OD2 ASP A 32 -15.950 -3.977 1.326 1.00 0.00 O ATOM 0 H ASP A 32 -10.995 -3.627 0.404 1.00 0.00 H new ATOM 0 HA ASP A 32 -12.705 -2.334 0.995 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.577 -4.861 1.459 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.710 -4.225 3.086 1.00 0.00 H new ATOM 474 N ARG A 33 -11.988 -0.955 2.914 1.00 0.00 N ATOM 475 CA ARG A 33 -11.658 -0.098 4.046 1.00 0.00 C ATOM 476 C ARG A 33 -12.174 1.321 3.823 1.00 0.00 C ATOM 477 O ARG A 33 -12.794 1.615 2.800 1.00 0.00 O ATOM 478 CB ARG A 33 -10.145 -0.072 4.269 1.00 0.00 C ATOM 479 CG ARG A 33 -9.742 -0.187 5.731 1.00 0.00 C ATOM 480 CD ARG A 33 -9.585 -1.640 6.152 1.00 0.00 C ATOM 481 NE ARG A 33 -10.815 -2.180 6.724 1.00 0.00 N ATOM 482 CZ ARG A 33 -11.320 -1.785 7.888 1.00 0.00 C ATOM 483 NH1 ARG A 33 -10.703 -0.851 8.599 1.00 0.00 N ATOM 484 NH2 ARG A 33 -12.444 -2.325 8.342 1.00 0.00 N ATOM 0 H ARG A 33 -12.105 -0.460 2.030 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.143 -0.507 4.932 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.690 -0.890 3.710 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.742 0.855 3.862 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.804 0.344 5.894 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.494 0.295 6.356 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.294 -2.238 5.289 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.780 -1.721 6.882 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.314 -2.900 6.201 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.839 -0.434 8.253 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.093 -0.549 9.492 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.921 -3.044 7.797 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.831 -2.021 9.236 1.00 0.00 H new ATOM 498 N THR A 34 -11.915 2.198 4.788 1.00 0.00 N ATOM 499 CA THR A 34 -12.355 3.584 4.699 1.00 0.00 C ATOM 500 C THR A 34 -11.495 4.491 5.572 1.00 0.00 C ATOM 501 O THR A 34 -11.343 4.253 6.771 1.00 0.00 O ATOM 502 CB THR A 34 -13.829 3.735 5.119 1.00 0.00 C ATOM 503 OG1 THR A 34 -14.063 3.035 6.346 1.00 0.00 O ATOM 504 CG2 THR A 34 -14.756 3.198 4.039 1.00 0.00 C ATOM 0 H THR A 34 -11.402 1.972 5.640 1.00 0.00 H new ATOM 0 HA THR A 34 -12.250 3.881 3.656 1.00 0.00 H new ATOM 0 HB THR A 34 -14.037 4.796 5.261 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.331 3.218 6.972 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.792 3.315 4.357 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.596 3.752 3.114 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.545 2.142 3.871 1.00 0.00 H new ATOM 512 N PHE A 35 -10.935 5.532 4.965 1.00 0.00 N ATOM 513 CA PHE A 35 -10.089 6.475 5.688 1.00 0.00 C ATOM 514 C PHE A 35 -10.454 7.914 5.334 1.00 0.00 C ATOM 515 O PHE A 35 -11.087 8.172 4.311 1.00 0.00 O ATOM 516 CB PHE A 35 -8.615 6.218 5.370 1.00 0.00 C ATOM 517 CG PHE A 35 -8.144 4.850 5.776 1.00 0.00 C ATOM 518 CD1 PHE A 35 -7.981 4.528 7.113 1.00 0.00 C ATOM 519 CD2 PHE A 35 -7.864 3.887 4.820 1.00 0.00 C ATOM 520 CE1 PHE A 35 -7.547 3.271 7.489 1.00 0.00 C ATOM 521 CE2 PHE A 35 -7.430 2.628 5.190 1.00 0.00 C ATOM 522 CZ PHE A 35 -7.272 2.320 6.527 1.00 0.00 C ATOM 0 H PHE A 35 -11.052 5.744 3.974 1.00 0.00 H new ATOM 0 HA PHE A 35 -10.254 6.329 6.755 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -8.455 6.346 4.299 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -8.006 6.968 5.875 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -8.195 5.268 7.870 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -7.986 4.123 3.773 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -7.423 3.033 8.535 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -7.215 1.886 4.435 1.00 0.00 H new ATOM 0 HZ PHE A 35 -6.934 1.337 6.819 1.00 0.00 H new ATOM 532 N SER A 36 -10.050 8.847 6.190 1.00 0.00 N ATOM 533 CA SER A 36 -10.337 10.260 5.972 1.00 0.00 C ATOM 534 C SER A 36 -9.071 11.018 5.582 1.00 0.00 C ATOM 535 O SER A 36 -9.135 12.078 4.959 1.00 0.00 O ATOM 536 CB SER A 36 -10.948 10.879 7.230 1.00 0.00 C ATOM 537 OG SER A 36 -12.364 10.834 7.185 1.00 0.00 O ATOM 0 H SER A 36 -9.523 8.650 7.041 1.00 0.00 H new ATOM 0 HA SER A 36 -11.053 10.337 5.154 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.592 10.345 8.111 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.617 11.913 7.328 1.00 0.00 H new ATOM 0 HG SER A 36 -12.730 11.234 8.001 1.00 0.00 H new ATOM 543 N THR A 37 -7.920 10.466 5.953 1.00 0.00 N ATOM 544 CA THR A 37 -6.639 11.088 5.644 1.00 0.00 C ATOM 545 C THR A 37 -5.773 10.170 4.790 1.00 0.00 C ATOM 546 O THR A 37 -5.676 8.972 5.054 1.00 0.00 O ATOM 547 CB THR A 37 -5.869 11.455 6.927 1.00 0.00 C ATOM 548 OG1 THR A 37 -6.126 10.483 7.947 1.00 0.00 O ATOM 549 CG2 THR A 37 -6.270 12.836 7.423 1.00 0.00 C ATOM 0 H THR A 37 -7.849 9.589 6.468 1.00 0.00 H new ATOM 0 HA THR A 37 -6.857 11.999 5.086 1.00 0.00 H new ATOM 0 HB THR A 37 -4.804 11.465 6.695 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.418 10.524 8.624 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.713 13.073 8.330 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.046 13.577 6.656 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.338 12.849 7.639 1.00 0.00 H new ATOM 557 N MET A 38 -5.146 10.739 3.766 1.00 0.00 N ATOM 558 CA MET A 38 -4.286 9.970 2.874 1.00 0.00 C ATOM 559 C MET A 38 -3.197 9.247 3.659 1.00 0.00 C ATOM 560 O MET A 38 -2.672 8.224 3.216 1.00 0.00 O ATOM 561 CB MET A 38 -3.652 10.887 1.826 1.00 0.00 C ATOM 562 CG MET A 38 -3.220 10.159 0.564 1.00 0.00 C ATOM 563 SD MET A 38 -4.612 9.709 -0.490 1.00 0.00 S ATOM 564 CE MET A 38 -4.136 8.057 -0.994 1.00 0.00 C ATOM 0 H MET A 38 -5.217 11.730 3.533 1.00 0.00 H new ATOM 0 HA MET A 38 -4.901 9.225 2.370 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.364 11.668 1.560 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.786 11.382 2.265 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.533 10.791 0.002 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.671 9.258 0.839 1.00 0.00 H new ATOM 0 HE1 MET A 38 -5.002 7.539 -1.406 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.355 8.119 -1.752 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.761 7.507 -0.131 1.00 0.00 H new ATOM 574 N HIS A 39 -2.860 9.784 4.828 1.00 0.00 N ATOM 575 CA HIS A 39 -1.832 9.188 5.675 1.00 0.00 C ATOM 576 C HIS A 39 -2.265 7.811 6.168 1.00 0.00 C ATOM 577 O HIS A 39 -1.500 6.850 6.104 1.00 0.00 O ATOM 578 CB HIS A 39 -1.533 10.099 6.866 1.00 0.00 C ATOM 579 CG HIS A 39 -0.664 9.460 7.905 1.00 0.00 C ATOM 580 ND1 HIS A 39 0.666 9.782 8.076 1.00 0.00 N ATOM 581 CD2 HIS A 39 -0.942 8.513 8.831 1.00 0.00 C ATOM 582 CE1 HIS A 39 1.169 9.060 9.061 1.00 0.00 C ATOM 583 NE2 HIS A 39 0.213 8.282 9.537 1.00 0.00 N ATOM 0 H HIS A 39 -3.283 10.630 5.210 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.927 9.072 5.079 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.048 11.006 6.506 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.473 10.402 7.327 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.895 8.029 8.986 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.188 9.099 9.417 1.00 0.00 H new ATOM 0 HE2 HIS A 39 0.316 7.618 10.304 1.00 0.00 H new ATOM 591 N GLU A 40 -3.497 7.725 6.661 1.00 0.00 N ATOM 592 CA GLU A 40 -4.030 6.465 7.166 1.00 0.00 C ATOM 593 C GLU A 40 -3.800 5.336 6.165 1.00 0.00 C ATOM 594 O GLU A 40 -3.106 4.362 6.460 1.00 0.00 O ATOM 595 CB GLU A 40 -5.525 6.601 7.464 1.00 0.00 C ATOM 596 CG GLU A 40 -5.862 7.780 8.361 1.00 0.00 C ATOM 597 CD GLU A 40 -6.095 7.368 9.802 1.00 0.00 C ATOM 598 OE1 GLU A 40 -7.189 6.846 10.101 1.00 0.00 O ATOM 599 OE2 GLU A 40 -5.181 7.568 10.630 1.00 0.00 O ATOM 0 H GLU A 40 -4.144 8.512 6.721 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.504 6.221 8.089 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.066 6.704 6.524 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.878 5.684 7.936 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.050 8.506 8.321 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.754 8.278 7.981 1.00 0.00 H new ATOM 606 N LEU A 41 -4.388 5.474 4.982 1.00 0.00 N ATOM 607 CA LEU A 41 -4.249 4.466 3.937 1.00 0.00 C ATOM 608 C LEU A 41 -2.793 4.037 3.785 1.00 0.00 C ATOM 609 O LEU A 41 -2.468 2.855 3.897 1.00 0.00 O ATOM 610 CB LEU A 41 -4.775 5.007 2.606 1.00 0.00 C ATOM 611 CG LEU A 41 -4.869 3.998 1.461 1.00 0.00 C ATOM 612 CD1 LEU A 41 -5.424 2.673 1.962 1.00 0.00 C ATOM 613 CD2 LEU A 41 -5.733 4.548 0.335 1.00 0.00 C ATOM 0 H LEU A 41 -4.965 6.274 4.722 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.837 3.595 4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.766 5.428 2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.130 5.826 2.289 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.866 3.825 1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.484 1.967 1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.767 2.272 2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.419 2.829 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.789 3.817 -0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.736 4.750 0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.294 5.472 -0.043 1.00 0.00 H new ATOM 625 N VAL A 42 -1.919 5.006 3.530 1.00 0.00 N ATOM 626 CA VAL A 42 -0.497 4.730 3.366 1.00 0.00 C ATOM 627 C VAL A 42 0.060 3.983 4.573 1.00 0.00 C ATOM 628 O VAL A 42 0.912 3.104 4.435 1.00 0.00 O ATOM 629 CB VAL A 42 0.307 6.027 3.162 1.00 0.00 C ATOM 630 CG1 VAL A 42 1.786 5.717 2.988 1.00 0.00 C ATOM 631 CG2 VAL A 42 -0.228 6.803 1.968 1.00 0.00 C ATOM 0 H VAL A 42 -2.171 5.989 3.433 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.396 4.106 2.478 1.00 0.00 H new ATOM 0 HB VAL A 42 0.193 6.648 4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.338 6.646 2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.158 5.207 3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.923 5.076 2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.352 7.717 1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.146 6.191 1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.274 7.058 2.139 1.00 0.00 H new ATOM 641 N THR A 43 -0.426 4.339 5.758 1.00 0.00 N ATOM 642 CA THR A 43 0.024 3.704 6.991 1.00 0.00 C ATOM 643 C THR A 43 -0.661 2.358 7.197 1.00 0.00 C ATOM 644 O THR A 43 -0.213 1.538 8.000 1.00 0.00 O ATOM 645 CB THR A 43 -0.247 4.599 8.215 1.00 0.00 C ATOM 646 OG1 THR A 43 0.753 5.619 8.307 1.00 0.00 O ATOM 647 CG2 THR A 43 -0.260 3.776 9.494 1.00 0.00 C ATOM 0 H THR A 43 -1.131 5.064 5.890 1.00 0.00 H new ATOM 0 HA THR A 43 1.099 3.550 6.894 1.00 0.00 H new ATOM 0 HB THR A 43 -1.226 5.062 8.090 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.421 6.354 8.864 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.453 4.429 10.345 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.042 3.020 9.432 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.706 3.288 9.623 1.00 0.00 H new ATOM 655 N HIS A 44 -1.750 2.135 6.468 1.00 0.00 N ATOM 656 CA HIS A 44 -2.497 0.887 6.571 1.00 0.00 C ATOM 657 C HIS A 44 -1.804 -0.227 5.791 1.00 0.00 C ATOM 658 O HIS A 44 -1.312 -1.193 6.373 1.00 0.00 O ATOM 659 CB HIS A 44 -3.923 1.077 6.054 1.00 0.00 C ATOM 660 CG HIS A 44 -4.644 -0.211 5.799 1.00 0.00 C ATOM 661 ND1 HIS A 44 -5.603 -0.719 6.650 1.00 0.00 N ATOM 662 CD2 HIS A 44 -4.543 -1.095 4.779 1.00 0.00 C ATOM 663 CE1 HIS A 44 -6.059 -1.860 6.165 1.00 0.00 C ATOM 664 NE2 HIS A 44 -5.432 -2.111 5.030 1.00 0.00 N ATOM 0 H HIS A 44 -2.135 2.803 5.800 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.535 0.601 7.622 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.488 1.663 6.779 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.892 1.656 5.131 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -5.912 -0.282 7.518 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.885 -1.016 3.926 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.816 -2.482 6.619 1.00 0.00 H new ATOM 672 N VAL A 45 -1.771 -0.084 4.469 1.00 0.00 N ATOM 673 CA VAL A 45 -1.139 -1.077 3.609 1.00 0.00 C ATOM 674 C VAL A 45 0.318 -1.297 4.002 1.00 0.00 C ATOM 675 O VAL A 45 0.954 -2.255 3.561 1.00 0.00 O ATOM 676 CB VAL A 45 -1.202 -0.658 2.128 1.00 0.00 C ATOM 677 CG1 VAL A 45 -0.664 -1.767 1.236 1.00 0.00 C ATOM 678 CG2 VAL A 45 -2.626 -0.293 1.739 1.00 0.00 C ATOM 0 H VAL A 45 -2.174 0.710 3.971 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.692 -2.007 3.740 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.575 0.223 1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.716 -1.453 0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.373 -1.976 1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.262 -2.668 1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.653 0.001 0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.277 -1.154 1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.971 0.536 2.357 1.00 0.00 H new ATOM 688 N THR A 46 0.842 -0.403 4.835 1.00 0.00 N ATOM 689 CA THR A 46 2.224 -0.498 5.288 1.00 0.00 C ATOM 690 C THR A 46 2.402 -1.648 6.273 1.00 0.00 C ATOM 691 O THR A 46 3.130 -2.602 6.002 1.00 0.00 O ATOM 692 CB THR A 46 2.688 0.810 5.955 1.00 0.00 C ATOM 693 OG1 THR A 46 2.931 1.809 4.958 1.00 0.00 O ATOM 694 CG2 THR A 46 3.952 0.583 6.770 1.00 0.00 C ATOM 0 H THR A 46 0.330 0.395 5.210 1.00 0.00 H new ATOM 0 HA THR A 46 2.834 -0.683 4.404 1.00 0.00 H new ATOM 0 HB THR A 46 1.898 1.150 6.625 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.307 2.554 5.083 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.261 1.521 7.232 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.756 -0.156 7.547 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.746 0.222 6.117 1.00 0.00 H new ATOM 702 N MET A 47 1.731 -1.552 7.416 1.00 0.00 N ATOM 703 CA MET A 47 1.814 -2.586 8.440 1.00 0.00 C ATOM 704 C MET A 47 0.688 -3.602 8.280 1.00 0.00 C ATOM 705 O MET A 47 0.920 -4.809 8.314 1.00 0.00 O ATOM 706 CB MET A 47 1.758 -1.959 9.835 1.00 0.00 C ATOM 707 CG MET A 47 0.449 -2.216 10.563 1.00 0.00 C ATOM 708 SD MET A 47 0.425 -1.504 12.220 1.00 0.00 S ATOM 709 CE MET A 47 1.355 0.004 11.954 1.00 0.00 C ATOM 0 H MET A 47 1.124 -0.768 7.656 1.00 0.00 H new ATOM 0 HA MET A 47 2.766 -3.104 8.321 1.00 0.00 H new ATOM 0 HB2 MET A 47 2.580 -2.350 10.434 1.00 0.00 H new ATOM 0 HB3 MET A 47 1.911 -0.883 9.748 1.00 0.00 H new ATOM 0 HG2 MET A 47 -0.374 -1.800 9.981 1.00 0.00 H new ATOM 0 HG3 MET A 47 0.280 -3.291 10.631 1.00 0.00 H new ATOM 0 HE1 MET A 47 1.220 0.670 12.806 1.00 0.00 H new ATOM 0 HE2 MET A 47 2.413 -0.235 11.844 1.00 0.00 H new ATOM 0 HE3 MET A 47 0.999 0.496 11.049 1.00 0.00 H new ATOM 719 N GLU A 48 -0.532 -3.103 8.106 1.00 0.00 N ATOM 720 CA GLU A 48 -1.695 -3.968 7.943 1.00 0.00 C ATOM 721 C GLU A 48 -1.444 -5.016 6.862 1.00 0.00 C ATOM 722 O GLU A 48 -1.828 -6.178 7.007 1.00 0.00 O ATOM 723 CB GLU A 48 -2.930 -3.139 7.588 1.00 0.00 C ATOM 724 CG GLU A 48 -3.141 -1.941 8.499 1.00 0.00 C ATOM 725 CD GLU A 48 -3.217 -2.328 9.963 1.00 0.00 C ATOM 726 OE1 GLU A 48 -3.733 -3.426 10.260 1.00 0.00 O ATOM 727 OE2 GLU A 48 -2.761 -1.533 10.811 1.00 0.00 O ATOM 0 H GLU A 48 -0.741 -2.105 8.074 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.871 -4.480 8.889 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.840 -2.791 6.559 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.812 -3.778 7.632 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.325 -1.232 8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.061 -1.430 8.214 1.00 0.00 H new ATOM 734 N HIS A 49 -0.799 -4.598 5.778 1.00 0.00 N ATOM 735 CA HIS A 49 -0.498 -5.500 4.672 1.00 0.00 C ATOM 736 C HIS A 49 1.001 -5.773 4.587 1.00 0.00 C ATOM 737 O HIS A 49 1.481 -6.809 5.047 1.00 0.00 O ATOM 738 CB HIS A 49 -0.995 -4.907 3.353 1.00 0.00 C ATOM 739 CG HIS A 49 -2.487 -4.911 3.220 1.00 0.00 C ATOM 740 ND1 HIS A 49 -3.283 -5.928 3.701 1.00 0.00 N ATOM 741 CD2 HIS A 49 -3.328 -4.011 2.658 1.00 0.00 C ATOM 742 CE1 HIS A 49 -4.549 -5.656 3.439 1.00 0.00 C ATOM 743 NE2 HIS A 49 -4.603 -4.497 2.806 1.00 0.00 N ATOM 0 H HIS A 49 -0.475 -3.641 5.642 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.012 -6.444 4.854 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.633 -3.883 3.265 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.563 -5.470 2.525 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -2.947 -6.761 4.184 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.048 -3.083 2.182 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.395 -6.275 3.698 1.00 0.00 H new ATOM 751 N VAL A 50 1.736 -4.837 3.995 1.00 0.00 N ATOM 752 CA VAL A 50 3.180 -4.976 3.850 1.00 0.00 C ATOM 753 C VAL A 50 3.818 -5.463 5.146 1.00 0.00 C ATOM 754 O VAL A 50 4.805 -6.197 5.127 1.00 0.00 O ATOM 755 CB VAL A 50 3.834 -3.644 3.438 1.00 0.00 C ATOM 756 CG1 VAL A 50 5.202 -3.497 4.087 1.00 0.00 C ATOM 757 CG2 VAL A 50 3.941 -3.550 1.923 1.00 0.00 C ATOM 0 H VAL A 50 1.355 -3.974 3.608 1.00 0.00 H new ATOM 0 HA VAL A 50 3.349 -5.713 3.065 1.00 0.00 H new ATOM 0 HB VAL A 50 3.203 -2.826 3.787 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.649 -2.550 3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.094 -3.517 5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.845 -4.319 3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.405 -2.603 1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.549 -4.374 1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.945 -3.606 1.484 1.00 0.00 H new ATOM 767 N GLY A 51 3.246 -5.049 6.273 1.00 0.00 N ATOM 768 CA GLY A 51 3.772 -5.454 7.564 1.00 0.00 C ATOM 769 C GLY A 51 5.186 -4.960 7.794 1.00 0.00 C ATOM 770 O GLY A 51 5.874 -4.566 6.854 1.00 0.00 O ATOM 0 H GLY A 51 2.428 -4.441 6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.124 -5.072 8.353 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.754 -6.542 7.635 1.00 0.00 H new ATOM 774 N GLY A 52 5.622 -4.980 9.050 1.00 0.00 N ATOM 775 CA GLY A 52 6.961 -4.527 9.379 1.00 0.00 C ATOM 776 C GLY A 52 8.035 -5.351 8.698 1.00 0.00 C ATOM 777 O GLY A 52 7.753 -6.203 7.855 1.00 0.00 O ATOM 0 H GLY A 52 5.071 -5.302 9.846 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.070 -3.482 9.088 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.102 -4.573 10.459 1.00 0.00 H new ATOM 781 N PRO A 53 9.301 -5.098 9.063 1.00 0.00 N ATOM 782 CA PRO A 53 10.447 -5.812 8.492 1.00 0.00 C ATOM 783 C PRO A 53 10.505 -7.268 8.941 1.00 0.00 C ATOM 784 O PRO A 53 11.051 -8.121 8.242 1.00 0.00 O ATOM 785 CB PRO A 53 11.652 -5.037 9.031 1.00 0.00 C ATOM 786 CG PRO A 53 11.164 -4.406 10.290 1.00 0.00 C ATOM 787 CD PRO A 53 9.710 -4.096 10.061 1.00 0.00 C ATOM 0 HA PRO A 53 10.401 -5.852 7.404 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.496 -5.700 9.222 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.991 -4.286 8.317 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.291 -5.079 11.138 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.726 -3.499 10.515 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.131 -4.184 10.980 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.569 -3.080 9.692 1.00 0.00 H new ATOM 795 N GLU A 54 9.938 -7.544 10.112 1.00 0.00 N ATOM 796 CA GLU A 54 9.927 -8.898 10.653 1.00 0.00 C ATOM 797 C GLU A 54 9.093 -9.828 9.776 1.00 0.00 C ATOM 798 O GLU A 54 9.388 -11.017 9.659 1.00 0.00 O ATOM 799 CB GLU A 54 9.376 -8.896 12.081 1.00 0.00 C ATOM 800 CG GLU A 54 10.119 -7.959 13.018 1.00 0.00 C ATOM 801 CD GLU A 54 11.180 -8.671 13.834 1.00 0.00 C ATOM 802 OE1 GLU A 54 11.063 -9.902 14.013 1.00 0.00 O ATOM 803 OE2 GLU A 54 12.126 -7.999 14.294 1.00 0.00 O ATOM 0 H GLU A 54 9.481 -6.849 10.703 1.00 0.00 H new ATOM 0 HA GLU A 54 10.954 -9.264 10.667 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.324 -8.612 12.055 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.423 -9.909 12.481 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.586 -7.164 12.436 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.406 -7.484 13.692 1.00 0.00 H new ATOM 810 N GLN A 55 8.051 -9.276 9.163 1.00 0.00 N ATOM 811 CA GLN A 55 7.174 -10.056 8.298 1.00 0.00 C ATOM 812 C GLN A 55 7.835 -10.322 6.949 1.00 0.00 C ATOM 813 O GLN A 55 8.158 -9.391 6.212 1.00 0.00 O ATOM 814 CB GLN A 55 5.844 -9.327 8.093 1.00 0.00 C ATOM 815 CG GLN A 55 4.626 -10.205 8.331 1.00 0.00 C ATOM 816 CD GLN A 55 4.787 -11.596 7.752 1.00 0.00 C ATOM 817 OE1 GLN A 55 4.774 -12.589 8.480 1.00 0.00 O ATOM 818 NE2 GLN A 55 4.939 -11.676 6.435 1.00 0.00 N ATOM 0 H GLN A 55 7.794 -8.293 9.249 1.00 0.00 H new ATOM 0 HA GLN A 55 6.984 -11.013 8.784 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.801 -8.471 8.766 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.807 -8.936 7.076 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.441 -10.281 9.403 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.749 -9.731 7.889 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.944 -10.827 5.870 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.051 -12.586 5.989 1.00 0.00 H new ATOM 827 N ASN A 56 8.033 -11.597 6.633 1.00 0.00 N ATOM 828 CA ASN A 56 8.656 -11.985 5.373 1.00 0.00 C ATOM 829 C ASN A 56 7.603 -12.231 4.298 1.00 0.00 C ATOM 830 O ASN A 56 6.916 -13.251 4.309 1.00 0.00 O ATOM 831 CB ASN A 56 9.507 -13.242 5.567 1.00 0.00 C ATOM 832 CG ASN A 56 10.984 -12.927 5.702 1.00 0.00 C ATOM 833 OD1 ASN A 56 11.607 -12.411 4.774 1.00 0.00 O ATOM 834 ND2 ASN A 56 11.551 -13.235 6.862 1.00 0.00 N ATOM 0 H ASN A 56 7.771 -12.380 7.232 1.00 0.00 H new ATOM 0 HA ASN A 56 9.298 -11.167 5.047 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.169 -13.772 6.457 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.357 -13.912 4.721 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.542 -13.045 7.012 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.996 -13.662 7.604 1.00 0.00 H new ATOM 841 N ASN A 57 7.482 -11.288 3.369 1.00 0.00 N ATOM 842 CA ASN A 57 6.512 -11.401 2.286 1.00 0.00 C ATOM 843 C ASN A 57 6.260 -10.044 1.637 1.00 0.00 C ATOM 844 O ASN A 57 5.449 -9.253 2.122 1.00 0.00 O ATOM 845 CB ASN A 57 5.197 -11.982 2.810 1.00 0.00 C ATOM 846 CG ASN A 57 5.011 -13.435 2.421 1.00 0.00 C ATOM 847 OD1 ASN A 57 4.755 -14.289 3.270 1.00 0.00 O ATOM 848 ND2 ASN A 57 5.139 -13.724 1.131 1.00 0.00 N ATOM 0 H ASN A 57 8.044 -10.437 3.345 1.00 0.00 H new ATOM 0 HA ASN A 57 6.923 -12.073 1.532 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.171 -11.893 3.896 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.364 -11.396 2.422 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.025 -14.685 0.810 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.352 -12.985 0.461 1.00 0.00 H new ATOM 855 N HIS A 58 6.958 -9.780 0.538 1.00 0.00 N ATOM 856 CA HIS A 58 6.809 -8.518 -0.179 1.00 0.00 C ATOM 857 C HIS A 58 6.081 -8.729 -1.503 1.00 0.00 C ATOM 858 O HIS A 58 6.705 -8.995 -2.531 1.00 0.00 O ATOM 859 CB HIS A 58 8.178 -7.885 -0.431 1.00 0.00 C ATOM 860 CG HIS A 58 9.077 -7.905 0.767 1.00 0.00 C ATOM 861 ND1 HIS A 58 10.369 -8.383 0.731 1.00 0.00 N ATOM 862 CD2 HIS A 58 8.863 -7.500 2.041 1.00 0.00 C ATOM 863 CE1 HIS A 58 10.911 -8.273 1.930 1.00 0.00 C ATOM 864 NE2 HIS A 58 10.018 -7.740 2.744 1.00 0.00 N ATOM 0 H HIS A 58 7.633 -10.423 0.124 1.00 0.00 H new ATOM 0 HA HIS A 58 6.215 -7.845 0.439 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.667 -8.411 -1.251 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.038 -6.853 -0.753 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.953 -7.069 2.432 1.00 0.00 H new ATOM 0 HE1 HIS A 58 11.914 -8.569 2.199 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.163 -7.539 3.734 1.00 0.00 H new ATOM 872 N VAL A 59 4.758 -8.607 -1.472 1.00 0.00 N ATOM 873 CA VAL A 59 3.945 -8.784 -2.669 1.00 0.00 C ATOM 874 C VAL A 59 2.902 -7.679 -2.793 1.00 0.00 C ATOM 875 O VAL A 59 2.080 -7.483 -1.897 1.00 0.00 O ATOM 876 CB VAL A 59 3.234 -10.150 -2.668 1.00 0.00 C ATOM 877 CG1 VAL A 59 2.393 -10.315 -3.925 1.00 0.00 C ATOM 878 CG2 VAL A 59 4.246 -11.278 -2.542 1.00 0.00 C ATOM 0 H VAL A 59 4.226 -8.386 -0.630 1.00 0.00 H new ATOM 0 HA VAL A 59 4.622 -8.737 -3.522 1.00 0.00 H new ATOM 0 HB VAL A 59 2.568 -10.193 -1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.898 -11.286 -3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.642 -9.526 -3.967 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.035 -10.252 -4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.725 -12.236 -2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.939 -11.241 -3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.800 -11.167 -1.610 1.00 0.00 H new ATOM 888 N CYS A 60 2.939 -6.959 -3.909 1.00 0.00 N ATOM 889 CA CYS A 60 1.997 -5.874 -4.151 1.00 0.00 C ATOM 890 C CYS A 60 0.634 -6.419 -4.568 1.00 0.00 C ATOM 891 O CYS A 60 0.480 -6.963 -5.662 1.00 0.00 O ATOM 892 CB CYS A 60 2.536 -4.935 -5.233 1.00 0.00 C ATOM 893 SG CYS A 60 1.659 -3.342 -5.338 1.00 0.00 S ATOM 0 H CYS A 60 3.612 -7.108 -4.661 1.00 0.00 H new ATOM 0 HA CYS A 60 1.877 -5.317 -3.222 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.592 -4.744 -5.041 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.473 -5.437 -6.199 1.00 0.00 H new ATOM 898 N TYR A 61 -0.351 -6.269 -3.690 1.00 0.00 N ATOM 899 CA TYR A 61 -1.700 -6.748 -3.965 1.00 0.00 C ATOM 900 C TYR A 61 -2.658 -5.581 -4.187 1.00 0.00 C ATOM 901 O TYR A 61 -2.921 -4.798 -3.275 1.00 0.00 O ATOM 902 CB TYR A 61 -2.199 -7.620 -2.812 1.00 0.00 C ATOM 903 CG TYR A 61 -1.741 -9.058 -2.897 1.00 0.00 C ATOM 904 CD1 TYR A 61 -2.194 -9.893 -3.911 1.00 0.00 C ATOM 905 CD2 TYR A 61 -0.855 -9.582 -1.964 1.00 0.00 C ATOM 906 CE1 TYR A 61 -1.778 -11.208 -3.993 1.00 0.00 C ATOM 907 CE2 TYR A 61 -0.433 -10.896 -2.039 1.00 0.00 C ATOM 908 CZ TYR A 61 -0.898 -11.704 -3.055 1.00 0.00 C ATOM 909 OH TYR A 61 -0.481 -13.013 -3.132 1.00 0.00 O ATOM 0 H TYR A 61 -0.240 -5.819 -2.781 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.667 -7.346 -4.876 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.855 -7.193 -1.870 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.289 -7.595 -2.794 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.883 -9.507 -4.648 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.490 -8.952 -1.167 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.140 -11.844 -4.787 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.257 -11.288 -1.306 1.00 0.00 H new ATOM 0 HH TYR A 61 -1.105 -13.523 -3.690 1.00 0.00 H new ATOM 919 N TRP A 62 -3.176 -5.474 -5.405 1.00 0.00 N ATOM 920 CA TRP A 62 -4.105 -4.403 -5.748 1.00 0.00 C ATOM 921 C TRP A 62 -5.049 -4.839 -6.864 1.00 0.00 C ATOM 922 O TRP A 62 -4.863 -5.894 -7.469 1.00 0.00 O ATOM 923 CB TRP A 62 -3.338 -3.150 -6.172 1.00 0.00 C ATOM 924 CG TRP A 62 -4.072 -1.877 -5.879 1.00 0.00 C ATOM 925 CD1 TRP A 62 -4.552 -0.979 -6.790 1.00 0.00 C ATOM 926 CD2 TRP A 62 -4.408 -1.359 -4.587 1.00 0.00 C ATOM 927 NE1 TRP A 62 -5.166 0.066 -6.142 1.00 0.00 N ATOM 928 CE2 TRP A 62 -5.092 -0.144 -4.790 1.00 0.00 C ATOM 929 CE3 TRP A 62 -4.200 -1.804 -3.279 1.00 0.00 C ATOM 930 CZ2 TRP A 62 -5.566 0.628 -3.733 1.00 0.00 C ATOM 931 CZ3 TRP A 62 -4.671 -1.036 -2.231 1.00 0.00 C ATOM 932 CH2 TRP A 62 -5.348 0.169 -2.463 1.00 0.00 C ATOM 0 H TRP A 62 -2.969 -6.115 -6.171 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.699 -4.174 -4.863 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.375 -3.132 -5.661 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.131 -3.204 -7.241 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -4.462 -1.076 -7.862 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -5.605 0.868 -6.594 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -3.680 -2.732 -3.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -6.088 1.557 -3.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.515 -1.370 -1.216 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.704 0.746 -1.623 1.00 0.00 H new ATOM 943 N GLU A 63 -6.060 -4.018 -7.132 1.00 0.00 N ATOM 944 CA GLU A 63 -7.032 -4.321 -8.176 1.00 0.00 C ATOM 945 C GLU A 63 -6.529 -3.855 -9.539 1.00 0.00 C ATOM 946 O GLU A 63 -6.669 -4.560 -10.538 1.00 0.00 O ATOM 947 CB GLU A 63 -8.375 -3.658 -7.862 1.00 0.00 C ATOM 948 CG GLU A 63 -9.109 -3.156 -9.093 1.00 0.00 C ATOM 949 CD GLU A 63 -10.474 -2.582 -8.765 1.00 0.00 C ATOM 950 OE1 GLU A 63 -10.773 -2.415 -7.564 1.00 0.00 O ATOM 951 OE2 GLU A 63 -11.241 -2.300 -9.709 1.00 0.00 O ATOM 0 H GLU A 63 -6.227 -3.139 -6.641 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.167 -5.402 -8.208 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.009 -4.373 -7.337 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.208 -2.822 -7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.506 -2.392 -9.584 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.225 -3.976 -9.802 1.00 0.00 H new ATOM 958 N GLU A 64 -5.944 -2.661 -9.571 1.00 0.00 N ATOM 959 CA GLU A 64 -5.422 -2.100 -10.812 1.00 0.00 C ATOM 960 C GLU A 64 -3.914 -1.884 -10.719 1.00 0.00 C ATOM 961 O GLU A 64 -3.420 -0.778 -10.942 1.00 0.00 O ATOM 962 CB GLU A 64 -6.120 -0.777 -11.133 1.00 0.00 C ATOM 963 CG GLU A 64 -6.639 -0.049 -9.904 1.00 0.00 C ATOM 964 CD GLU A 64 -7.390 1.221 -10.253 1.00 0.00 C ATOM 965 OE1 GLU A 64 -8.021 1.260 -11.330 1.00 0.00 O ATOM 966 OE2 GLU A 64 -7.348 2.176 -9.449 1.00 0.00 O ATOM 0 H GLU A 64 -5.820 -2.065 -8.753 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.621 -2.811 -11.614 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.423 -0.127 -11.663 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.953 -0.970 -11.809 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.297 -0.713 -9.343 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.802 0.196 -9.251 1.00 0.00 H new ATOM 973 N CYS A 65 -3.189 -2.946 -10.387 1.00 0.00 N ATOM 974 CA CYS A 65 -1.738 -2.874 -10.262 1.00 0.00 C ATOM 975 C CYS A 65 -1.057 -3.627 -11.401 1.00 0.00 C ATOM 976 O CYS A 65 -1.531 -4.665 -11.865 1.00 0.00 O ATOM 977 CB CYS A 65 -1.292 -3.450 -8.917 1.00 0.00 C ATOM 978 SG CYS A 65 0.426 -4.056 -8.901 1.00 0.00 S ATOM 0 H CYS A 65 -3.583 -3.868 -10.199 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.445 -1.826 -10.316 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.403 -2.683 -8.151 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.958 -4.269 -8.646 1.00 0.00 H new ATOM 983 N PRO A 66 0.083 -3.094 -11.864 1.00 0.00 N ATOM 984 CA PRO A 66 0.856 -3.699 -12.954 1.00 0.00 C ATOM 985 C PRO A 66 1.522 -5.005 -12.536 1.00 0.00 C ATOM 986 O PRO A 66 1.511 -5.984 -13.282 1.00 0.00 O ATOM 987 CB PRO A 66 1.912 -2.637 -13.271 1.00 0.00 C ATOM 988 CG PRO A 66 2.064 -1.864 -12.007 1.00 0.00 C ATOM 989 CD PRO A 66 0.707 -1.859 -11.359 1.00 0.00 C ATOM 0 HA PRO A 66 0.226 -3.961 -13.804 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.855 -3.094 -13.571 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.593 -1.995 -14.092 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.806 -2.324 -11.355 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.404 -0.848 -12.209 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.781 -1.862 -10.272 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.132 -0.976 -11.637 1.00 0.00 H new ATOM 997 N ARG A 67 2.100 -5.013 -11.339 1.00 0.00 N ATOM 998 CA ARG A 67 2.771 -6.200 -10.823 1.00 0.00 C ATOM 999 C ARG A 67 1.758 -7.279 -10.450 1.00 0.00 C ATOM 1000 O ARG A 67 2.118 -8.438 -10.250 1.00 0.00 O ATOM 1001 CB ARG A 67 3.623 -5.841 -9.604 1.00 0.00 C ATOM 1002 CG ARG A 67 4.058 -4.385 -9.573 1.00 0.00 C ATOM 1003 CD ARG A 67 5.490 -4.242 -9.082 1.00 0.00 C ATOM 1004 NE ARG A 67 6.204 -3.176 -9.780 1.00 0.00 N ATOM 1005 CZ ARG A 67 6.721 -3.312 -10.996 1.00 0.00 C ATOM 1006 NH1 ARG A 67 6.602 -4.462 -11.646 1.00 0.00 N ATOM 1007 NH2 ARG A 67 7.357 -2.296 -11.565 1.00 0.00 N ATOM 0 H ARG A 67 2.117 -4.211 -10.709 1.00 0.00 H new ATOM 0 HA ARG A 67 3.419 -6.590 -11.608 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.058 -6.062 -8.698 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.509 -6.476 -9.590 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.970 -3.956 -10.571 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.391 -3.819 -8.923 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.487 -4.036 -8.012 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.018 -5.185 -9.224 1.00 0.00 H new ATOM 0 HE ARG A 67 6.311 -2.278 -9.308 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.113 -5.245 -11.212 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.000 -4.564 -12.580 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.449 -1.410 -11.069 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.754 -2.401 -12.499 1.00 0.00 H new ATOM 1021 N GLU A 68 0.491 -6.887 -10.357 1.00 0.00 N ATOM 1022 CA GLU A 68 -0.572 -7.821 -10.006 1.00 0.00 C ATOM 1023 C GLU A 68 -0.075 -8.862 -9.008 1.00 0.00 C ATOM 1024 O GLU A 68 -0.506 -10.014 -9.030 1.00 0.00 O ATOM 1025 CB GLU A 68 -1.106 -8.515 -11.261 1.00 0.00 C ATOM 1026 CG GLU A 68 -1.519 -7.551 -12.361 1.00 0.00 C ATOM 1027 CD GLU A 68 -2.197 -8.249 -13.524 1.00 0.00 C ATOM 1028 OE1 GLU A 68 -1.834 -9.407 -13.814 1.00 0.00 O ATOM 1029 OE2 GLU A 68 -3.090 -7.635 -14.144 1.00 0.00 O ATOM 0 H GLU A 68 0.176 -5.930 -10.520 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.379 -7.255 -9.541 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.340 -9.188 -11.648 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.963 -9.131 -10.989 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.195 -6.802 -11.948 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.639 -7.021 -12.724 1.00 0.00 H new ATOM 1036 N GLY A 69 0.838 -8.448 -8.134 1.00 0.00 N ATOM 1037 CA GLY A 69 1.380 -9.356 -7.141 1.00 0.00 C ATOM 1038 C GLY A 69 2.551 -10.161 -7.669 1.00 0.00 C ATOM 1039 O GLY A 69 2.562 -11.388 -7.581 1.00 0.00 O ATOM 0 H GLY A 69 1.212 -7.500 -8.096 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.699 -8.786 -6.268 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.596 -10.036 -6.809 1.00 0.00 H new ATOM 1043 N LYS A 70 3.541 -9.468 -8.222 1.00 0.00 N ATOM 1044 CA LYS A 70 4.723 -10.124 -8.768 1.00 0.00 C ATOM 1045 C LYS A 70 5.858 -10.136 -7.749 1.00 0.00 C ATOM 1046 O LYS A 70 6.875 -10.801 -7.947 1.00 0.00 O ATOM 1047 CB LYS A 70 5.179 -9.418 -10.047 1.00 0.00 C ATOM 1048 CG LYS A 70 6.659 -9.076 -10.058 1.00 0.00 C ATOM 1049 CD LYS A 70 7.050 -8.333 -11.325 1.00 0.00 C ATOM 1050 CE LYS A 70 8.559 -8.314 -11.516 1.00 0.00 C ATOM 1051 NZ LYS A 70 9.256 -7.674 -10.366 1.00 0.00 N ATOM 0 H LYS A 70 3.548 -8.451 -8.304 1.00 0.00 H new ATOM 0 HA LYS A 70 4.459 -11.155 -9.004 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.955 -10.055 -10.903 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.602 -8.502 -10.172 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.899 -8.465 -9.188 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.246 -9.991 -9.976 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.579 -8.807 -12.186 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.675 -7.311 -11.279 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.922 -9.334 -11.639 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.802 -7.777 -12.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.264 -7.558 -10.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.834 -6.742 -10.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.157 -8.274 -9.523 1.00 0.00 H new ATOM 1065 N SER A 71 5.676 -9.399 -6.658 1.00 0.00 N ATOM 1066 CA SER A 71 6.686 -9.323 -5.609 1.00 0.00 C ATOM 1067 C SER A 71 7.797 -8.351 -5.994 1.00 0.00 C ATOM 1068 O SER A 71 7.873 -7.897 -7.136 1.00 0.00 O ATOM 1069 CB SER A 71 7.275 -10.709 -5.339 1.00 0.00 C ATOM 1070 OG SER A 71 8.596 -10.808 -5.844 1.00 0.00 O ATOM 0 H SER A 71 4.838 -8.846 -6.477 1.00 0.00 H new ATOM 0 HA SER A 71 6.206 -8.957 -4.701 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.276 -10.905 -4.267 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.647 -11.471 -5.801 1.00 0.00 H new ATOM 0 HG SER A 71 8.570 -10.851 -6.823 1.00 0.00 H new ATOM 1076 N PHE A 72 8.659 -8.037 -5.032 1.00 0.00 N ATOM 1077 CA PHE A 72 9.766 -7.118 -5.268 1.00 0.00 C ATOM 1078 C PHE A 72 11.093 -7.749 -4.857 1.00 0.00 C ATOM 1079 O PHE A 72 11.722 -8.466 -5.636 1.00 0.00 O ATOM 1080 CB PHE A 72 9.548 -5.814 -4.498 1.00 0.00 C ATOM 1081 CG PHE A 72 8.783 -4.781 -5.274 1.00 0.00 C ATOM 1082 CD1 PHE A 72 7.398 -4.786 -5.281 1.00 0.00 C ATOM 1083 CD2 PHE A 72 9.449 -3.804 -5.996 1.00 0.00 C ATOM 1084 CE1 PHE A 72 6.690 -3.836 -5.994 1.00 0.00 C ATOM 1085 CE2 PHE A 72 8.747 -2.851 -6.710 1.00 0.00 C ATOM 1086 CZ PHE A 72 7.366 -2.868 -6.710 1.00 0.00 C ATOM 0 H PHE A 72 8.612 -8.406 -4.082 1.00 0.00 H new ATOM 0 HA PHE A 72 9.803 -6.899 -6.335 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.013 -6.032 -3.574 1.00 0.00 H new ATOM 0 HB3 PHE A 72 10.517 -5.401 -4.216 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.864 -5.541 -4.723 1.00 0.00 H new ATOM 0 HD2 PHE A 72 10.529 -3.787 -6.001 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.610 -3.851 -5.991 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.278 -2.094 -7.267 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.816 -2.126 -7.269 1.00 0.00 H new ATOM 1096 N LYS A 73 11.514 -7.478 -3.626 1.00 0.00 N ATOM 1097 CA LYS A 73 12.766 -8.018 -3.109 1.00 0.00 C ATOM 1098 C LYS A 73 13.085 -7.433 -1.737 1.00 0.00 C ATOM 1099 O LYS A 73 13.694 -8.094 -0.896 1.00 0.00 O ATOM 1100 CB LYS A 73 13.912 -7.725 -4.079 1.00 0.00 C ATOM 1101 CG LYS A 73 14.684 -8.964 -4.501 1.00 0.00 C ATOM 1102 CD LYS A 73 14.933 -8.982 -6.000 1.00 0.00 C ATOM 1103 CE LYS A 73 16.168 -8.176 -6.370 1.00 0.00 C ATOM 1104 NZ LYS A 73 16.389 -8.144 -7.842 1.00 0.00 N ATOM 0 H LYS A 73 11.006 -6.887 -2.968 1.00 0.00 H new ATOM 0 HA LYS A 73 12.652 -9.097 -3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.509 -7.238 -4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.600 -7.020 -3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.637 -8.998 -3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.128 -9.856 -4.213 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.055 -10.011 -6.337 1.00 0.00 H new ATOM 0 HD3 LYS A 73 14.064 -8.577 -6.519 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.062 -7.157 -5.996 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.042 -8.606 -5.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.240 -7.585 -8.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.515 -9.114 -8.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 15.566 -7.711 -8.307 1.00 0.00 H new ATOM 1118 N ALA A 74 12.669 -6.189 -1.518 1.00 0.00 N ATOM 1119 CA ALA A 74 12.908 -5.517 -0.247 1.00 0.00 C ATOM 1120 C ALA A 74 11.599 -5.255 0.490 1.00 0.00 C ATOM 1121 O ALA A 74 10.519 -5.573 -0.008 1.00 0.00 O ATOM 1122 CB ALA A 74 13.659 -4.213 -0.473 1.00 0.00 C ATOM 0 H ALA A 74 12.165 -5.627 -2.204 1.00 0.00 H new ATOM 0 HA ALA A 74 13.519 -6.173 0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.831 -3.721 0.485 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.616 -4.422 -0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.069 -3.560 -1.115 1.00 0.00 H new ATOM 1128 N LYS A 75 11.702 -4.675 1.681 1.00 0.00 N ATOM 1129 CA LYS A 75 10.527 -4.370 2.488 1.00 0.00 C ATOM 1130 C LYS A 75 9.982 -2.985 2.154 1.00 0.00 C ATOM 1131 O LYS A 75 8.769 -2.776 2.116 1.00 0.00 O ATOM 1132 CB LYS A 75 10.871 -4.449 3.977 1.00 0.00 C ATOM 1133 CG LYS A 75 9.702 -4.117 4.890 1.00 0.00 C ATOM 1134 CD LYS A 75 9.637 -2.630 5.195 1.00 0.00 C ATOM 1135 CE LYS A 75 8.927 -2.362 6.513 1.00 0.00 C ATOM 1136 NZ LYS A 75 9.298 -1.038 7.084 1.00 0.00 N ATOM 0 H LYS A 75 12.588 -4.407 2.109 1.00 0.00 H new ATOM 0 HA LYS A 75 9.758 -5.108 2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.226 -5.454 4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.692 -3.764 4.188 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.771 -4.434 4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.796 -4.676 5.821 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.647 -2.221 5.235 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.116 -2.114 4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.849 -2.402 6.359 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.176 -3.148 7.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.793 -0.893 7.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.323 -1.009 7.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.037 -0.286 6.415 1.00 0.00 H new ATOM 1150 N TYR A 76 10.886 -2.042 1.912 1.00 0.00 N ATOM 1151 CA TYR A 76 10.496 -0.676 1.581 1.00 0.00 C ATOM 1152 C TYR A 76 10.104 -0.562 0.111 1.00 0.00 C ATOM 1153 O TYR A 76 9.138 0.119 -0.236 1.00 0.00 O ATOM 1154 CB TYR A 76 11.638 0.293 1.894 1.00 0.00 C ATOM 1155 CG TYR A 76 12.492 0.629 0.692 1.00 0.00 C ATOM 1156 CD1 TYR A 76 12.126 1.643 -0.184 1.00 0.00 C ATOM 1157 CD2 TYR A 76 13.666 -0.068 0.434 1.00 0.00 C ATOM 1158 CE1 TYR A 76 12.903 1.952 -1.283 1.00 0.00 C ATOM 1159 CE2 TYR A 76 14.451 0.236 -0.662 1.00 0.00 C ATOM 1160 CZ TYR A 76 14.065 1.246 -1.518 1.00 0.00 C ATOM 1161 OH TYR A 76 14.843 1.553 -2.611 1.00 0.00 O ATOM 0 H TYR A 76 11.894 -2.198 1.939 1.00 0.00 H new ATOM 0 HA TYR A 76 9.630 -0.415 2.190 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.221 1.214 2.302 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.270 -0.141 2.669 1.00 0.00 H new ATOM 0 HD1 TYR A 76 11.218 2.199 -0.002 1.00 0.00 H new ATOM 0 HD2 TYR A 76 13.970 -0.861 1.101 1.00 0.00 H new ATOM 0 HE1 TYR A 76 12.603 2.742 -1.955 1.00 0.00 H new ATOM 0 HE2 TYR A 76 15.362 -0.314 -0.847 1.00 0.00 H new ATOM 0 HH TYR A 76 15.626 0.964 -2.631 1.00 0.00 H new ATOM 1171 N LYS A 77 10.861 -1.233 -0.750 1.00 0.00 N ATOM 1172 CA LYS A 77 10.595 -1.210 -2.183 1.00 0.00 C ATOM 1173 C LYS A 77 9.107 -1.395 -2.463 1.00 0.00 C ATOM 1174 O LYS A 77 8.514 -0.649 -3.243 1.00 0.00 O ATOM 1175 CB LYS A 77 11.398 -2.306 -2.889 1.00 0.00 C ATOM 1176 CG LYS A 77 12.685 -1.805 -3.522 1.00 0.00 C ATOM 1177 CD LYS A 77 12.734 -2.116 -5.008 1.00 0.00 C ATOM 1178 CE LYS A 77 13.775 -1.268 -5.721 1.00 0.00 C ATOM 1179 NZ LYS A 77 14.404 -1.999 -6.856 1.00 0.00 N ATOM 0 H LYS A 77 11.665 -1.800 -0.480 1.00 0.00 H new ATOM 0 HA LYS A 77 10.901 -0.238 -2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.638 -3.090 -2.170 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.776 -2.760 -3.660 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.770 -0.729 -3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.539 -2.265 -3.025 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.963 -3.172 -5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.754 -1.939 -5.450 1.00 0.00 H new ATOM 0 HE2 LYS A 77 13.308 -0.355 -6.091 1.00 0.00 H new ATOM 0 HE3 LYS A 77 14.546 -0.967 -5.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.108 -1.387 -7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 14.872 -2.857 -6.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 13.673 -2.264 -7.546 1.00 0.00 H new ATOM 1193 N LEU A 78 8.509 -2.393 -1.821 1.00 0.00 N ATOM 1194 CA LEU A 78 7.089 -2.675 -2.000 1.00 0.00 C ATOM 1195 C LEU A 78 6.243 -1.451 -1.661 1.00 0.00 C ATOM 1196 O LEU A 78 5.482 -0.959 -2.494 1.00 0.00 O ATOM 1197 CB LEU A 78 6.669 -3.857 -1.125 1.00 0.00 C ATOM 1198 CG LEU A 78 5.211 -4.300 -1.249 1.00 0.00 C ATOM 1199 CD1 LEU A 78 4.777 -4.306 -2.707 1.00 0.00 C ATOM 1200 CD2 LEU A 78 5.016 -5.675 -0.627 1.00 0.00 C ATOM 0 H LEU A 78 8.985 -3.020 -1.172 1.00 0.00 H new ATOM 0 HA LEU A 78 6.924 -2.929 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.308 -4.707 -1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.862 -3.599 -0.084 1.00 0.00 H new ATOM 0 HG LEU A 78 4.588 -3.587 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.737 -4.624 -2.776 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.878 -3.303 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.405 -4.996 -3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.972 -5.974 -0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.650 -6.399 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.286 -5.638 0.428 1.00 0.00 H new ATOM 1212 N VAL A 79 6.385 -0.962 -0.433 1.00 0.00 N ATOM 1213 CA VAL A 79 5.638 0.206 0.016 1.00 0.00 C ATOM 1214 C VAL A 79 5.862 1.393 -0.915 1.00 0.00 C ATOM 1215 O VAL A 79 4.983 2.237 -1.084 1.00 0.00 O ATOM 1216 CB VAL A 79 6.034 0.610 1.448 1.00 0.00 C ATOM 1217 CG1 VAL A 79 5.863 2.108 1.648 1.00 0.00 C ATOM 1218 CG2 VAL A 79 5.215 -0.169 2.467 1.00 0.00 C ATOM 0 H VAL A 79 7.011 -1.357 0.269 1.00 0.00 H new ATOM 0 HA VAL A 79 4.583 -0.069 0.003 1.00 0.00 H new ATOM 0 HB VAL A 79 7.086 0.366 1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.148 2.374 2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.497 2.644 0.942 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.821 2.381 1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.508 0.129 3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.156 0.042 2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.394 -1.236 2.338 1.00 0.00 H new ATOM 1228 N ASN A 80 7.045 1.450 -1.517 1.00 0.00 N ATOM 1229 CA ASN A 80 7.385 2.534 -2.432 1.00 0.00 C ATOM 1230 C ASN A 80 6.481 2.513 -3.660 1.00 0.00 C ATOM 1231 O ASN A 80 5.929 3.541 -4.056 1.00 0.00 O ATOM 1232 CB ASN A 80 8.850 2.425 -2.862 1.00 0.00 C ATOM 1233 CG ASN A 80 9.009 2.389 -4.369 1.00 0.00 C ATOM 1234 OD1 ASN A 80 8.481 3.243 -5.081 1.00 0.00 O ATOM 1235 ND2 ASN A 80 9.740 1.396 -4.863 1.00 0.00 N ATOM 0 H ASN A 80 7.784 0.759 -1.388 1.00 0.00 H new ATOM 0 HA ASN A 80 7.235 3.478 -1.909 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.407 3.271 -2.461 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.286 1.523 -2.432 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.882 1.319 -5.870 1.00 0.00 H new ATOM 0 HD22 ASN A 80 10.159 0.710 -4.235 1.00 0.00 H new ATOM 1242 N HIS A 81 6.333 1.336 -4.260 1.00 0.00 N ATOM 1243 CA HIS A 81 5.494 1.181 -5.443 1.00 0.00 C ATOM 1244 C HIS A 81 4.016 1.301 -5.081 1.00 0.00 C ATOM 1245 O HIS A 81 3.219 1.833 -5.855 1.00 0.00 O ATOM 1246 CB HIS A 81 5.759 -0.169 -6.109 1.00 0.00 C ATOM 1247 CG HIS A 81 4.675 -0.597 -7.050 1.00 0.00 C ATOM 1248 ND1 HIS A 81 4.279 0.157 -8.135 1.00 0.00 N ATOM 1249 CD2 HIS A 81 3.903 -1.709 -7.064 1.00 0.00 C ATOM 1250 CE1 HIS A 81 3.310 -0.472 -8.775 1.00 0.00 C ATOM 1251 NE2 HIS A 81 3.063 -1.607 -8.146 1.00 0.00 N ATOM 0 H HIS A 81 6.783 0.476 -3.946 1.00 0.00 H new ATOM 0 HA HIS A 81 5.745 1.978 -6.142 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.702 -0.117 -6.654 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.879 -0.929 -5.336 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.673 1.059 -8.401 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.941 -2.524 -6.357 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.805 -0.118 -9.662 1.00 0.00 H new ATOM 1259 N ILE A 82 3.659 0.804 -3.902 1.00 0.00 N ATOM 1260 CA ILE A 82 2.278 0.857 -3.439 1.00 0.00 C ATOM 1261 C ILE A 82 1.725 2.275 -3.519 1.00 0.00 C ATOM 1262 O ILE A 82 0.557 2.479 -3.852 1.00 0.00 O ATOM 1263 CB ILE A 82 2.151 0.350 -1.990 1.00 0.00 C ATOM 1264 CG1 ILE A 82 2.405 -1.158 -1.930 1.00 0.00 C ATOM 1265 CG2 ILE A 82 0.776 0.683 -1.431 1.00 0.00 C ATOM 1266 CD1 ILE A 82 2.632 -1.677 -0.528 1.00 0.00 C ATOM 0 H ILE A 82 4.306 0.360 -3.250 1.00 0.00 H new ATOM 0 HA ILE A 82 1.700 0.207 -4.096 1.00 0.00 H new ATOM 0 HB ILE A 82 2.902 0.851 -1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.554 -1.679 -2.368 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.275 -1.396 -2.542 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.702 0.318 -0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.630 1.763 -1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 82 0.010 0.206 -2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.805 -2.753 -0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.501 -1.183 -0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.754 -1.470 0.083 1.00 0.00 H new ATOM 1278 N ARG A 83 2.571 3.253 -3.214 1.00 0.00 N ATOM 1279 CA ARG A 83 2.168 4.653 -3.252 1.00 0.00 C ATOM 1280 C ARG A 83 1.490 4.988 -4.578 1.00 0.00 C ATOM 1281 O ARG A 83 0.434 5.620 -4.606 1.00 0.00 O ATOM 1282 CB ARG A 83 3.380 5.562 -3.043 1.00 0.00 C ATOM 1283 CG ARG A 83 4.268 5.137 -1.885 1.00 0.00 C ATOM 1284 CD ARG A 83 4.931 6.334 -1.223 1.00 0.00 C ATOM 1285 NE ARG A 83 4.022 7.033 -0.319 1.00 0.00 N ATOM 1286 CZ ARG A 83 4.382 8.070 0.429 1.00 0.00 C ATOM 1287 NH1 ARG A 83 5.626 8.526 0.381 1.00 0.00 N ATOM 1288 NH2 ARG A 83 3.496 8.653 1.227 1.00 0.00 N ATOM 0 H ARG A 83 3.541 3.101 -2.938 1.00 0.00 H new ATOM 0 HA ARG A 83 1.454 4.821 -2.446 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.973 5.578 -3.957 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.034 6.581 -2.869 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.674 4.596 -1.149 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.033 4.449 -2.245 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.809 6.002 -0.669 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.281 7.025 -1.990 1.00 0.00 H new ATOM 0 HE ARG A 83 3.057 6.707 -0.259 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.309 8.080 -0.231 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.900 9.322 0.956 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.538 8.305 1.266 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.773 9.449 1.801 1.00 0.00 H new ATOM 1302 N VAL A 84 2.106 4.559 -5.676 1.00 0.00 N ATOM 1303 CA VAL A 84 1.563 4.813 -7.005 1.00 0.00 C ATOM 1304 C VAL A 84 0.078 4.471 -7.066 1.00 0.00 C ATOM 1305 O VAL A 84 -0.684 5.096 -7.804 1.00 0.00 O ATOM 1306 CB VAL A 84 2.310 4.001 -8.080 1.00 0.00 C ATOM 1307 CG1 VAL A 84 1.700 2.616 -8.224 1.00 0.00 C ATOM 1308 CG2 VAL A 84 2.295 4.740 -9.410 1.00 0.00 C ATOM 0 H VAL A 84 2.981 4.034 -5.671 1.00 0.00 H new ATOM 0 HA VAL A 84 1.697 5.876 -7.205 1.00 0.00 H new ATOM 0 HB VAL A 84 3.347 3.883 -7.766 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.241 2.058 -8.988 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.767 2.088 -7.273 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.654 2.708 -8.515 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.827 4.153 -10.159 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.264 4.890 -9.731 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.783 5.708 -9.294 1.00 0.00 H new ATOM 1318 N HIS A 85 -0.327 3.474 -6.286 1.00 0.00 N ATOM 1319 CA HIS A 85 -1.722 3.050 -6.250 1.00 0.00 C ATOM 1320 C HIS A 85 -2.545 3.964 -5.347 1.00 0.00 C ATOM 1321 O HIS A 85 -3.546 4.539 -5.775 1.00 0.00 O ATOM 1322 CB HIS A 85 -1.824 1.604 -5.762 1.00 0.00 C ATOM 1323 CG HIS A 85 -0.976 0.647 -6.542 1.00 0.00 C ATOM 1324 ND1 HIS A 85 -0.540 0.901 -7.825 1.00 0.00 N ATOM 1325 CD2 HIS A 85 -0.483 -0.569 -6.212 1.00 0.00 C ATOM 1326 CE1 HIS A 85 0.184 -0.118 -8.251 1.00 0.00 C ATOM 1327 NE2 HIS A 85 0.234 -1.024 -7.291 1.00 0.00 N ATOM 0 H HIS A 85 0.291 2.945 -5.671 1.00 0.00 H new ATOM 0 HA HIS A 85 -2.122 3.114 -7.262 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -1.533 1.562 -4.712 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -2.864 1.283 -5.817 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -0.745 1.744 -8.361 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -0.627 -1.086 -5.274 1.00 0.00 H new ATOM 0 HE1 HIS A 85 0.655 -0.197 -9.220 1.00 0.00 H new ATOM 1335 N THR A 86 -2.117 4.092 -4.095 1.00 0.00 N ATOM 1336 CA THR A 86 -2.816 4.934 -3.132 1.00 0.00 C ATOM 1337 C THR A 86 -3.199 6.274 -3.749 1.00 0.00 C ATOM 1338 O THR A 86 -4.313 6.760 -3.560 1.00 0.00 O ATOM 1339 CB THR A 86 -1.956 5.186 -1.879 1.00 0.00 C ATOM 1340 OG1 THR A 86 -0.653 5.640 -2.262 1.00 0.00 O ATOM 1341 CG2 THR A 86 -1.832 3.920 -1.044 1.00 0.00 C ATOM 0 H THR A 86 -1.290 3.624 -3.724 1.00 0.00 H new ATOM 0 HA THR A 86 -3.720 4.399 -2.842 1.00 0.00 H new ATOM 0 HB THR A 86 -2.445 5.952 -1.278 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.515 5.471 -3.217 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.220 4.123 -0.165 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.823 3.593 -0.729 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.363 3.136 -1.639 1.00 0.00 H new ATOM 1349 N GLY A 87 -2.267 6.868 -4.489 1.00 0.00 N ATOM 1350 CA GLY A 87 -2.527 8.147 -5.123 1.00 0.00 C ATOM 1351 C GLY A 87 -1.769 9.284 -4.467 1.00 0.00 C ATOM 1352 O GLY A 87 -1.922 10.443 -4.851 1.00 0.00 O ATOM 0 H GLY A 87 -1.337 6.486 -4.660 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.251 8.090 -6.176 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.596 8.357 -5.085 1.00 0.00 H new ATOM 1356 N GLU A 88 -0.950 8.952 -3.474 1.00 0.00 N ATOM 1357 CA GLU A 88 -0.168 9.956 -2.761 1.00 0.00 C ATOM 1358 C GLU A 88 1.050 10.377 -3.579 1.00 0.00 C ATOM 1359 O GLU A 88 1.028 10.345 -4.809 1.00 0.00 O ATOM 1360 CB GLU A 88 0.278 9.416 -1.401 1.00 0.00 C ATOM 1361 CG GLU A 88 0.303 10.470 -0.306 1.00 0.00 C ATOM 1362 CD GLU A 88 0.377 11.881 -0.857 1.00 0.00 C ATOM 1363 OE1 GLU A 88 -0.692 12.470 -1.124 1.00 0.00 O ATOM 1364 OE2 GLU A 88 1.502 12.396 -1.020 1.00 0.00 O ATOM 0 H GLU A 88 -0.811 7.997 -3.145 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.800 10.830 -2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.392 8.610 -1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.274 8.983 -1.500 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.591 10.371 0.309 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.159 10.293 0.345 1.00 0.00 H new ATOM 1371 N LYS A 89 2.113 10.772 -2.885 1.00 0.00 N ATOM 1372 CA LYS A 89 3.341 11.199 -3.544 1.00 0.00 C ATOM 1373 C LYS A 89 3.704 10.254 -4.685 1.00 0.00 C ATOM 1374 O LYS A 89 3.247 9.111 -4.726 1.00 0.00 O ATOM 1375 CB LYS A 89 4.490 11.261 -2.535 1.00 0.00 C ATOM 1376 CG LYS A 89 5.534 12.313 -2.865 1.00 0.00 C ATOM 1377 CD LYS A 89 6.615 12.381 -1.800 1.00 0.00 C ATOM 1378 CE LYS A 89 6.704 13.768 -1.182 1.00 0.00 C ATOM 1379 NZ LYS A 89 6.937 13.707 0.287 1.00 0.00 N ATOM 0 H LYS A 89 2.148 10.805 -1.866 1.00 0.00 H new ATOM 0 HA LYS A 89 3.174 12.193 -3.958 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.082 11.464 -1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 89 4.973 10.285 -2.487 1.00 0.00 H new ATOM 0 HG2 LYS A 89 5.987 12.087 -3.830 1.00 0.00 H new ATOM 0 HG3 LYS A 89 5.053 13.287 -2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 89 6.406 11.648 -1.021 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.577 12.115 -2.239 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.513 14.325 -1.655 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.782 14.314 -1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.992 14.672 0.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.153 13.198 0.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 7.830 13.208 0.476 1.00 0.00 H new ATOM 1393 N SER A 90 4.529 10.737 -5.608 1.00 0.00 N ATOM 1394 CA SER A 90 4.951 9.936 -6.751 1.00 0.00 C ATOM 1395 C SER A 90 3.823 9.807 -7.770 1.00 0.00 C ATOM 1396 O SER A 90 2.675 9.543 -7.413 1.00 0.00 O ATOM 1397 CB SER A 90 5.397 8.547 -6.290 1.00 0.00 C ATOM 1398 OG SER A 90 4.417 7.569 -6.591 1.00 0.00 O ATOM 0 H SER A 90 4.919 11.679 -5.587 1.00 0.00 H new ATOM 0 HA SER A 90 5.792 10.441 -7.227 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.337 8.285 -6.774 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.584 8.560 -5.216 1.00 0.00 H new ATOM 0 HG SER A 90 3.623 7.720 -6.037 1.00 0.00 H new ATOM 1404 N GLY A 91 4.159 9.996 -9.043 1.00 0.00 N ATOM 1405 CA GLY A 91 3.165 9.897 -10.095 1.00 0.00 C ATOM 1406 C GLY A 91 3.257 8.592 -10.860 1.00 0.00 C ATOM 1407 O GLY A 91 4.281 7.908 -10.840 1.00 0.00 O ATOM 0 H GLY A 91 5.102 10.216 -9.364 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.170 9.990 -9.660 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.289 10.730 -10.787 1.00 0.00 H new ATOM 1411 N PRO A 92 2.168 8.229 -11.553 1.00 0.00 N ATOM 1412 CA PRO A 92 2.105 6.994 -12.340 1.00 0.00 C ATOM 1413 C PRO A 92 2.994 7.050 -13.578 1.00 0.00 C ATOM 1414 O PRO A 92 2.508 7.233 -14.694 1.00 0.00 O ATOM 1415 CB PRO A 92 0.631 6.904 -12.743 1.00 0.00 C ATOM 1416 CG PRO A 92 0.146 8.312 -12.719 1.00 0.00 C ATOM 1417 CD PRO A 92 0.913 8.996 -11.622 1.00 0.00 C ATOM 0 HA PRO A 92 2.459 6.132 -11.775 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.517 6.463 -13.733 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.068 6.279 -12.049 1.00 0.00 H new ATOM 0 HG2 PRO A 92 0.318 8.800 -13.678 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.927 8.352 -12.529 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.096 10.045 -11.854 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.372 8.968 -10.676 1.00 0.00 H new ATOM 1425 N SER A 93 4.297 6.889 -13.373 1.00 0.00 N ATOM 1426 CA SER A 93 5.254 6.925 -14.473 1.00 0.00 C ATOM 1427 C SER A 93 6.027 5.613 -14.563 1.00 0.00 C ATOM 1428 O SER A 93 6.692 5.205 -13.611 1.00 0.00 O ATOM 1429 CB SER A 93 6.227 8.092 -14.293 1.00 0.00 C ATOM 1430 OG SER A 93 7.571 7.650 -14.361 1.00 0.00 O ATOM 0 H SER A 93 4.714 6.732 -12.456 1.00 0.00 H new ATOM 0 HA SER A 93 4.699 7.064 -15.401 1.00 0.00 H new ATOM 0 HB2 SER A 93 6.048 8.841 -15.064 1.00 0.00 H new ATOM 0 HB3 SER A 93 6.048 8.574 -13.332 1.00 0.00 H new ATOM 0 HG SER A 93 8.173 8.414 -14.245 1.00 0.00 H new ATOM 1436 N SER A 94 5.935 4.957 -15.715 1.00 0.00 N ATOM 1437 CA SER A 94 6.622 3.688 -15.930 1.00 0.00 C ATOM 1438 C SER A 94 6.573 3.287 -17.401 1.00 0.00 C ATOM 1439 O SER A 94 6.508 4.138 -18.287 1.00 0.00 O ATOM 1440 CB SER A 94 5.993 2.591 -15.069 1.00 0.00 C ATOM 1441 OG SER A 94 5.278 3.146 -13.978 1.00 0.00 O ATOM 0 H SER A 94 5.392 5.283 -16.514 1.00 0.00 H new ATOM 0 HA SER A 94 7.665 3.814 -15.640 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.321 1.986 -15.678 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.772 1.925 -14.697 1.00 0.00 H new ATOM 0 HG SER A 94 4.885 2.425 -13.444 1.00 0.00 H new ATOM 1447 N GLY A 95 6.607 1.982 -17.653 1.00 0.00 N ATOM 1448 CA GLY A 95 6.566 1.488 -19.017 1.00 0.00 C ATOM 1449 C GLY A 95 7.895 0.912 -19.465 1.00 0.00 C ATOM 1450 O GLY A 95 8.238 -0.194 -19.049 1.00 0.00 O ATOM 0 H GLY A 95 6.662 1.258 -16.937 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.795 0.722 -19.100 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.281 2.300 -19.686 1.00 0.00 H new TER 1454 GLY A 95 HETATM 1455 ZN ZN A 201 -6.004 -3.059 3.285 1.00 0.00 ZN HETATM 1456 ZN ZN A 401 1.535 -2.629 -7.440 1.00 0.00 ZN