USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 665 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 39 HIS HD1 : A 39 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 69 HIS HD1 : A 69 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 51 LYS NZ :NH3+ -110:sc= 1.28 (180deg=-0.256) USER MOD Set 1.2: A 53 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 46 SER OG : rot -70:sc= 0.074! USER MOD Set 2.2: A 65 TYR OH : rot 85:sc= 0.397 USER MOD Set 3.1: A 34 ASN : amide:sc= -2.07! X(o=-1.9!,f=-1.9) USER MOD Set 3.2: A 57 TYR OH : rot 12:sc= 0.151 USER MOD Set 3.3: A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.0808 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 21:sc= 0.818 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -121:sc= -0.164 (180deg=-0.867) USER MOD Single : A 11 GLN : amide:sc= -3! C(o=-3!,f=-9.8!) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0175 USER MOD Single : A 22 GLN :FLIP amide:sc= -1.66 F(o=-2.6,f=-1.7) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 150:sc= 0.00868 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= -2.64! C(o=-2.6!,f=-3.8!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.455 F(o=-1.1,f=-0.46) USER MOD Single : A 50 ASN : amide:sc= -1.11 K(o=-1.1,f=-3.1!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS :FLIP no HD1:sc= -1.24 F(o=-2.3!,f=-1.2) USER MOD Single : A 67 LYS NZ :NH3+ 136:sc= -0.194 (180deg=-1.1) USER MOD Single : A 71 ASN : amide:sc= -0.497 X(o=-0.5,f=-0.96) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -158:sc= -0.0847 (180deg=-0.444) USER MOD Single : A 79 ASN : amide:sc= -1.35 K(o=-1.4,f=-4.7!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 30:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.901 -32.785 -2.360 1.00 0.00 N ATOM 2 CA GLY A 1 -29.110 -31.854 -3.143 1.00 0.00 C ATOM 3 C GLY A 1 -29.964 -30.978 -4.038 1.00 0.00 C ATOM 4 O GLY A 1 -31.192 -31.057 -4.007 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.551 -32.800 -1.381 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.897 -32.486 -2.367 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.823 -33.737 -2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.527 -31.223 -2.472 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.400 -32.410 -3.755 1.00 0.00 H new ATOM 8 N SER A 2 -29.313 -30.139 -4.838 1.00 0.00 N ATOM 9 CA SER A 2 -30.021 -29.240 -5.742 1.00 0.00 C ATOM 10 C SER A 2 -29.073 -28.666 -6.790 1.00 0.00 C ATOM 11 O SER A 2 -27.979 -28.203 -6.466 1.00 0.00 O ATOM 12 CB SER A 2 -30.679 -28.105 -4.955 1.00 0.00 C ATOM 13 OG SER A 2 -31.293 -27.170 -5.826 1.00 0.00 O ATOM 0 H SER A 2 -28.297 -30.063 -4.878 1.00 0.00 H new ATOM 0 HA SER A 2 -30.794 -29.813 -6.253 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.424 -28.515 -4.273 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.931 -27.600 -4.344 1.00 0.00 H new ATOM 0 HG SER A 2 -31.708 -26.455 -5.299 1.00 0.00 H new ATOM 19 N SER A 3 -29.501 -28.699 -8.048 1.00 0.00 N ATOM 20 CA SER A 3 -28.689 -28.186 -9.145 1.00 0.00 C ATOM 21 C SER A 3 -29.254 -26.869 -9.669 1.00 0.00 C ATOM 22 O SER A 3 -29.978 -26.844 -10.664 1.00 0.00 O ATOM 23 CB SER A 3 -28.618 -29.211 -10.279 1.00 0.00 C ATOM 24 OG SER A 3 -27.724 -30.263 -9.960 1.00 0.00 O ATOM 0 H SER A 3 -30.405 -29.076 -8.333 1.00 0.00 H new ATOM 0 HA SER A 3 -27.683 -28.005 -8.766 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.611 -29.618 -10.468 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.295 -28.721 -11.197 1.00 0.00 H new ATOM 0 HG SER A 3 -27.698 -30.906 -10.700 1.00 0.00 H new ATOM 30 N GLY A 4 -28.917 -25.776 -8.992 1.00 0.00 N ATOM 31 CA GLY A 4 -29.400 -24.470 -9.403 1.00 0.00 C ATOM 32 C GLY A 4 -28.920 -23.361 -8.488 1.00 0.00 C ATOM 33 O GLY A 4 -29.725 -22.611 -7.936 1.00 0.00 O ATOM 0 H GLY A 4 -28.318 -25.771 -8.166 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -29.067 -24.267 -10.421 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -30.490 -24.478 -9.419 1.00 0.00 H new ATOM 37 N SER A 5 -27.605 -23.256 -8.326 1.00 0.00 N ATOM 38 CA SER A 5 -27.019 -22.233 -7.467 1.00 0.00 C ATOM 39 C SER A 5 -26.203 -21.238 -8.287 1.00 0.00 C ATOM 40 O SER A 5 -25.009 -21.434 -8.512 1.00 0.00 O ATOM 41 CB SER A 5 -26.134 -22.880 -6.400 1.00 0.00 C ATOM 42 OG SER A 5 -26.893 -23.247 -5.261 1.00 0.00 O ATOM 0 H SER A 5 -26.925 -23.867 -8.778 1.00 0.00 H new ATOM 0 HA SER A 5 -27.831 -21.694 -6.978 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.645 -23.762 -6.814 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.346 -22.186 -6.107 1.00 0.00 H new ATOM 0 HG SER A 5 -26.305 -23.660 -4.595 1.00 0.00 H new ATOM 48 N SER A 6 -26.858 -20.170 -8.731 1.00 0.00 N ATOM 49 CA SER A 6 -26.195 -19.144 -9.529 1.00 0.00 C ATOM 50 C SER A 6 -26.980 -17.836 -9.492 1.00 0.00 C ATOM 51 O SER A 6 -28.124 -17.798 -9.042 1.00 0.00 O ATOM 52 CB SER A 6 -26.037 -19.617 -10.975 1.00 0.00 C ATOM 53 OG SER A 6 -25.000 -20.576 -11.088 1.00 0.00 O ATOM 0 H SER A 6 -27.846 -19.992 -8.552 1.00 0.00 H new ATOM 0 HA SER A 6 -25.208 -18.967 -9.102 1.00 0.00 H new ATOM 0 HB2 SER A 6 -26.975 -20.048 -11.324 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.819 -18.764 -11.618 1.00 0.00 H new ATOM 0 HG SER A 6 -24.833 -20.982 -10.212 1.00 0.00 H new ATOM 59 N GLY A 7 -26.354 -16.765 -9.969 1.00 0.00 N ATOM 60 CA GLY A 7 -27.007 -15.469 -9.982 1.00 0.00 C ATOM 61 C GLY A 7 -26.265 -14.437 -9.156 1.00 0.00 C ATOM 62 O GLY A 7 -26.879 -13.649 -8.438 1.00 0.00 O ATOM 0 H GLY A 7 -25.407 -16.771 -10.347 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -27.088 -15.117 -11.010 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -28.023 -15.574 -9.600 1.00 0.00 H new ATOM 66 N MET A 8 -24.940 -14.443 -9.257 1.00 0.00 N ATOM 67 CA MET A 8 -24.113 -13.500 -8.512 1.00 0.00 C ATOM 68 C MET A 8 -23.506 -12.456 -9.444 1.00 0.00 C ATOM 69 O MET A 8 -23.471 -11.268 -9.122 1.00 0.00 O ATOM 70 CB MET A 8 -23.003 -14.242 -7.766 1.00 0.00 C ATOM 71 CG MET A 8 -22.110 -15.072 -8.674 1.00 0.00 C ATOM 72 SD MET A 8 -20.731 -15.827 -7.790 1.00 0.00 S ATOM 73 CE MET A 8 -20.112 -16.959 -9.033 1.00 0.00 C ATOM 0 H MET A 8 -24.416 -15.090 -9.847 1.00 0.00 H new ATOM 0 HA MET A 8 -24.749 -12.990 -7.788 1.00 0.00 H new ATOM 0 HB2 MET A 8 -22.390 -13.518 -7.230 1.00 0.00 H new ATOM 0 HB3 MET A 8 -23.453 -14.894 -7.017 1.00 0.00 H new ATOM 0 HG2 MET A 8 -22.705 -15.853 -9.147 1.00 0.00 H new ATOM 0 HG3 MET A 8 -21.722 -14.440 -9.473 1.00 0.00 H new ATOM 0 HE1 MET A 8 -19.255 -17.502 -8.636 1.00 0.00 H new ATOM 0 HE2 MET A 8 -20.896 -17.666 -9.304 1.00 0.00 H new ATOM 0 HE3 MET A 8 -19.808 -16.398 -9.917 1.00 0.00 H new ATOM 83 N LYS A 9 -23.029 -12.906 -10.599 1.00 0.00 N ATOM 84 CA LYS A 9 -22.424 -12.011 -11.578 1.00 0.00 C ATOM 85 C LYS A 9 -23.378 -11.749 -12.739 1.00 0.00 C ATOM 86 O LYS A 9 -23.292 -12.395 -13.784 1.00 0.00 O ATOM 87 CB LYS A 9 -21.115 -12.606 -12.104 1.00 0.00 C ATOM 88 CG LYS A 9 -19.967 -12.521 -11.113 1.00 0.00 C ATOM 89 CD LYS A 9 -19.409 -11.110 -11.026 1.00 0.00 C ATOM 90 CE LYS A 9 -18.474 -10.809 -12.188 1.00 0.00 C ATOM 91 NZ LYS A 9 -18.367 -9.346 -12.449 1.00 0.00 N ATOM 0 H LYS A 9 -23.050 -13.886 -10.880 1.00 0.00 H new ATOM 0 HA LYS A 9 -22.212 -11.063 -11.084 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -21.280 -13.651 -12.367 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -20.832 -12.088 -13.020 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -20.311 -12.839 -10.129 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -19.176 -13.208 -11.412 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -20.229 -10.392 -11.022 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -18.873 -10.987 -10.085 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -17.485 -11.213 -11.972 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -18.835 -11.313 -13.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -18.670 -9.144 -13.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -18.976 -8.829 -11.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -17.380 -9.042 -12.323 1.00 0.00 H new ATOM 105 N PHE A 10 -24.286 -10.798 -12.550 1.00 0.00 N ATOM 106 CA PHE A 10 -25.256 -10.451 -13.582 1.00 0.00 C ATOM 107 C PHE A 10 -24.565 -9.823 -14.788 1.00 0.00 C ATOM 108 O PHE A 10 -24.842 -10.184 -15.932 1.00 0.00 O ATOM 109 CB PHE A 10 -26.305 -9.488 -13.022 1.00 0.00 C ATOM 110 CG PHE A 10 -27.459 -9.250 -13.954 1.00 0.00 C ATOM 111 CD1 PHE A 10 -28.258 -10.303 -14.370 1.00 0.00 C ATOM 112 CD2 PHE A 10 -27.745 -7.975 -14.413 1.00 0.00 C ATOM 113 CE1 PHE A 10 -29.320 -10.088 -15.228 1.00 0.00 C ATOM 114 CE2 PHE A 10 -28.806 -7.753 -15.271 1.00 0.00 C ATOM 115 CZ PHE A 10 -29.595 -8.811 -15.678 1.00 0.00 C ATOM 0 H PHE A 10 -24.371 -10.254 -11.692 1.00 0.00 H new ATOM 0 HA PHE A 10 -25.750 -11.368 -13.905 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -26.685 -9.885 -12.080 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -25.828 -8.534 -12.797 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -28.048 -11.303 -14.020 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -27.132 -7.144 -14.097 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -29.934 -10.917 -15.546 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -29.018 -6.754 -15.622 1.00 0.00 H new ATOM 0 HZ PHE A 10 -30.426 -8.640 -16.347 1.00 0.00 H new ATOM 125 N GLN A 11 -23.666 -8.880 -14.524 1.00 0.00 N ATOM 126 CA GLN A 11 -22.937 -8.200 -15.588 1.00 0.00 C ATOM 127 C GLN A 11 -22.194 -9.203 -16.465 1.00 0.00 C ATOM 128 O GLN A 11 -21.298 -9.906 -15.998 1.00 0.00 O ATOM 129 CB GLN A 11 -21.950 -7.193 -14.996 1.00 0.00 C ATOM 130 CG GLN A 11 -22.621 -5.983 -14.365 1.00 0.00 C ATOM 131 CD GLN A 11 -21.828 -5.415 -13.205 1.00 0.00 C ATOM 132 OE1 GLN A 11 -20.669 -5.774 -12.995 1.00 0.00 O ATOM 133 NE2 GLN A 11 -22.450 -4.524 -12.442 1.00 0.00 N ATOM 0 H GLN A 11 -23.425 -8.570 -13.583 1.00 0.00 H new ATOM 0 HA GLN A 11 -23.660 -7.668 -16.207 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -21.340 -7.693 -14.244 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -21.274 -6.855 -15.781 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -22.754 -5.210 -15.122 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -23.615 -6.264 -14.018 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -23.411 -4.255 -12.652 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -21.967 -4.109 -11.646 1.00 0.00 H new ATOM 142 N ALA A 12 -22.572 -9.263 -17.737 1.00 0.00 N ATOM 143 CA ALA A 12 -21.941 -10.179 -18.680 1.00 0.00 C ATOM 144 C ALA A 12 -20.441 -9.920 -18.774 1.00 0.00 C ATOM 145 O ALA A 12 -19.617 -10.792 -18.494 1.00 0.00 O ATOM 146 CB ALA A 12 -22.587 -10.054 -20.051 1.00 0.00 C ATOM 0 H ALA A 12 -23.312 -8.688 -18.139 1.00 0.00 H new ATOM 0 HA ALA A 12 -22.087 -11.196 -18.314 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -22.106 -10.744 -20.744 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -23.647 -10.295 -19.977 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -22.472 -9.033 -20.416 1.00 0.00 H new ATOM 152 N PRO A 13 -20.075 -8.695 -19.179 1.00 0.00 N ATOM 153 CA PRO A 13 -18.672 -8.294 -19.320 1.00 0.00 C ATOM 154 C PRO A 13 -17.967 -8.166 -17.974 1.00 0.00 C ATOM 155 O PRO A 13 -18.346 -7.345 -17.140 1.00 0.00 O ATOM 156 CB PRO A 13 -18.761 -6.930 -20.009 1.00 0.00 C ATOM 157 CG PRO A 13 -20.105 -6.405 -19.639 1.00 0.00 C ATOM 158 CD PRO A 13 -21.003 -7.607 -19.530 1.00 0.00 C ATOM 0 HA PRO A 13 -18.091 -9.031 -19.875 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -17.968 -6.263 -19.670 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -18.657 -7.025 -21.090 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -20.065 -5.861 -18.696 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -20.474 -5.709 -20.393 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -21.768 -7.469 -18.766 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -21.521 -7.808 -20.468 1.00 0.00 H new ATOM 166 N ALA A 14 -16.940 -8.984 -17.769 1.00 0.00 N ATOM 167 CA ALA A 14 -16.181 -8.961 -16.525 1.00 0.00 C ATOM 168 C ALA A 14 -16.070 -7.542 -15.977 1.00 0.00 C ATOM 169 O ALA A 14 -15.685 -6.618 -16.693 1.00 0.00 O ATOM 170 CB ALA A 14 -14.797 -9.556 -16.740 1.00 0.00 C ATOM 0 H ALA A 14 -16.614 -9.671 -18.449 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.714 -9.566 -15.791 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.241 -9.532 -15.803 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.893 -10.587 -17.079 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.264 -8.975 -17.493 1.00 0.00 H new ATOM 176 N ARG A 15 -16.409 -7.377 -14.702 1.00 0.00 N ATOM 177 CA ARG A 15 -16.349 -6.070 -14.059 1.00 0.00 C ATOM 178 C ARG A 15 -15.028 -5.889 -13.318 1.00 0.00 C ATOM 179 O ARG A 15 -14.594 -6.773 -12.578 1.00 0.00 O ATOM 180 CB ARG A 15 -17.518 -5.902 -13.087 1.00 0.00 C ATOM 181 CG ARG A 15 -17.297 -4.814 -12.050 1.00 0.00 C ATOM 182 CD ARG A 15 -18.596 -4.428 -11.360 1.00 0.00 C ATOM 183 NE ARG A 15 -19.298 -3.364 -12.072 1.00 0.00 N ATOM 184 CZ ARG A 15 -20.240 -2.607 -11.519 1.00 0.00 C ATOM 185 NH1 ARG A 15 -20.589 -2.796 -10.254 1.00 0.00 N ATOM 186 NH2 ARG A 15 -20.833 -1.658 -12.232 1.00 0.00 N ATOM 0 H ARG A 15 -16.728 -8.132 -14.095 1.00 0.00 H new ATOM 0 HA ARG A 15 -16.418 -5.308 -14.835 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -18.421 -5.674 -13.654 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -17.693 -6.849 -12.576 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -16.578 -5.159 -11.307 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -16.864 -3.936 -12.529 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -19.242 -5.303 -11.287 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.383 -4.103 -10.341 1.00 0.00 H new ATOM 0 HE ARG A 15 -19.052 -3.192 -13.047 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -20.134 -3.524 -9.703 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -21.312 -2.214 -9.832 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -20.566 -1.509 -13.205 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -21.556 -1.077 -11.807 1.00 0.00 H new ATOM 200 N GLU A 16 -14.393 -4.739 -13.522 1.00 0.00 N ATOM 201 CA GLU A 16 -13.120 -4.445 -12.874 1.00 0.00 C ATOM 202 C GLU A 16 -13.341 -3.801 -11.508 1.00 0.00 C ATOM 203 O GLU A 16 -14.365 -3.159 -11.270 1.00 0.00 O ATOM 204 CB GLU A 16 -12.276 -3.521 -13.754 1.00 0.00 C ATOM 205 CG GLU A 16 -11.668 -4.218 -14.960 1.00 0.00 C ATOM 206 CD GLU A 16 -10.695 -3.334 -15.716 1.00 0.00 C ATOM 207 OE1 GLU A 16 -10.849 -2.096 -15.658 1.00 0.00 O ATOM 208 OE2 GLU A 16 -9.779 -3.881 -16.365 1.00 0.00 O ATOM 0 H GLU A 16 -14.739 -3.997 -14.130 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.588 -5.386 -12.732 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.897 -2.694 -14.098 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.476 -3.091 -13.152 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.153 -5.121 -14.632 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.465 -4.533 -15.633 1.00 0.00 H new ATOM 215 N THR A 17 -12.374 -3.978 -10.613 1.00 0.00 N ATOM 216 CA THR A 17 -12.463 -3.416 -9.271 1.00 0.00 C ATOM 217 C THR A 17 -11.097 -2.956 -8.776 1.00 0.00 C ATOM 218 O THR A 17 -10.063 -3.442 -9.235 1.00 0.00 O ATOM 219 CB THR A 17 -13.041 -4.437 -8.273 1.00 0.00 C ATOM 220 OG1 THR A 17 -13.990 -5.283 -8.931 1.00 0.00 O ATOM 221 CG2 THR A 17 -13.709 -3.731 -7.103 1.00 0.00 C ATOM 0 H THR A 17 -11.520 -4.506 -10.793 1.00 0.00 H new ATOM 0 HA THR A 17 -13.132 -2.558 -9.331 1.00 0.00 H new ATOM 0 HB THR A 17 -12.220 -5.043 -7.891 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.351 -5.930 -8.290 1.00 0.00 H new ATOM 0 HG21 THR A 17 -14.110 -4.472 -6.412 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.977 -3.111 -6.586 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.520 -3.103 -7.472 1.00 0.00 H new ATOM 229 N CYS A 18 -11.099 -2.016 -7.837 1.00 0.00 N ATOM 230 CA CYS A 18 -9.859 -1.489 -7.279 1.00 0.00 C ATOM 231 C CYS A 18 -9.300 -2.428 -6.214 1.00 0.00 C ATOM 232 O CYS A 18 -9.989 -2.779 -5.257 1.00 0.00 O ATOM 233 CB CYS A 18 -10.095 -0.101 -6.679 1.00 0.00 C ATOM 234 SG CYS A 18 -8.569 0.772 -6.202 1.00 0.00 S ATOM 0 H CYS A 18 -11.946 -1.603 -7.446 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.131 -1.409 -8.086 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -10.638 0.508 -7.402 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -10.734 -0.200 -5.801 1.00 0.00 H new ATOM 239 N VAL A 19 -8.045 -2.830 -6.388 1.00 0.00 N ATOM 240 CA VAL A 19 -7.392 -3.727 -5.442 1.00 0.00 C ATOM 241 C VAL A 19 -6.910 -2.970 -4.210 1.00 0.00 C ATOM 242 O VAL A 19 -6.128 -3.491 -3.416 1.00 0.00 O ATOM 243 CB VAL A 19 -6.195 -4.449 -6.088 1.00 0.00 C ATOM 244 CG1 VAL A 19 -6.663 -5.359 -7.214 1.00 0.00 C ATOM 245 CG2 VAL A 19 -5.176 -3.440 -6.596 1.00 0.00 C ATOM 0 H VAL A 19 -7.460 -2.549 -7.175 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.135 -4.467 -5.143 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.714 -5.067 -5.330 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.803 -5.860 -7.658 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.352 -6.104 -6.817 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.170 -4.765 -7.975 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.337 -3.967 -7.049 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.643 -2.794 -7.339 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.817 -2.835 -5.764 1.00 0.00 H new ATOM 255 N GLU A 20 -7.383 -1.737 -4.057 1.00 0.00 N ATOM 256 CA GLU A 20 -7.000 -0.907 -2.921 1.00 0.00 C ATOM 257 C GLU A 20 -8.206 -0.603 -2.038 1.00 0.00 C ATOM 258 O GLU A 20 -8.185 -0.850 -0.831 1.00 0.00 O ATOM 259 CB GLU A 20 -6.366 0.399 -3.405 1.00 0.00 C ATOM 260 CG GLU A 20 -4.947 0.232 -3.921 1.00 0.00 C ATOM 261 CD GLU A 20 -4.100 1.472 -3.709 1.00 0.00 C ATOM 262 OE1 GLU A 20 -4.276 2.139 -2.667 1.00 0.00 O ATOM 263 OE2 GLU A 20 -3.262 1.776 -4.583 1.00 0.00 O ATOM 0 H GLU A 20 -8.032 -1.291 -4.705 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.269 -1.460 -2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.984 0.821 -4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.363 1.117 -2.585 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.479 -0.614 -3.418 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.977 -0.006 -4.984 1.00 0.00 H new ATOM 270 N CYS A 21 -9.257 -0.065 -2.647 1.00 0.00 N ATOM 271 CA CYS A 21 -10.473 0.274 -1.918 1.00 0.00 C ATOM 272 C CYS A 21 -11.592 -0.714 -2.235 1.00 0.00 C ATOM 273 O CYS A 21 -12.657 -0.679 -1.619 1.00 0.00 O ATOM 274 CB CYS A 21 -10.920 1.696 -2.264 1.00 0.00 C ATOM 275 SG CYS A 21 -11.248 1.961 -4.036 1.00 0.00 S ATOM 0 H CYS A 21 -9.291 0.146 -3.644 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.255 0.218 -0.852 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.823 1.929 -1.699 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -10.151 2.397 -1.939 1.00 0.00 H new ATOM 280 N GLN A 22 -11.341 -1.594 -3.199 1.00 0.00 N ATOM 281 CA GLN A 22 -12.326 -2.591 -3.599 1.00 0.00 C ATOM 282 C GLN A 22 -13.577 -1.925 -4.163 1.00 0.00 C ATOM 283 O GLN A 22 -14.698 -2.261 -3.783 1.00 0.00 O ATOM 284 CB GLN A 22 -12.699 -3.476 -2.408 1.00 0.00 C ATOM 285 CG GLN A 22 -11.545 -4.320 -1.892 1.00 0.00 C ATOM 286 CD GLN A 22 -10.478 -3.492 -1.204 1.00 0.00 C ATOM 287 OE1 GLN A 22 -9.301 -3.416 -1.815 1.00 0.00 O flip ATOM 288 NE2 GLN A 22 -10.708 -2.927 -0.134 1.00 0.00 N flip ATOM 0 H GLN A 22 -10.464 -1.636 -3.717 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.883 -3.210 -4.379 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -13.067 -2.845 -1.599 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.518 -4.134 -2.697 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.928 -5.064 -1.194 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.097 -4.864 -2.724 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.627 -3.012 0.301 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.980 -2.374 0.318 1.00 0.00 H new ATOM 297 N LYS A 23 -13.377 -0.978 -5.073 1.00 0.00 N ATOM 298 CA LYS A 23 -14.488 -0.264 -5.692 1.00 0.00 C ATOM 299 C LYS A 23 -14.445 -0.402 -7.210 1.00 0.00 C ATOM 300 O LYS A 23 -13.403 -0.195 -7.834 1.00 0.00 O ATOM 301 CB LYS A 23 -14.450 1.216 -5.302 1.00 0.00 C ATOM 302 CG LYS A 23 -14.904 1.481 -3.877 1.00 0.00 C ATOM 303 CD LYS A 23 -14.737 2.944 -3.502 1.00 0.00 C ATOM 304 CE LYS A 23 -15.130 3.197 -2.055 1.00 0.00 C ATOM 305 NZ LYS A 23 -16.608 3.202 -1.873 1.00 0.00 N ATOM 0 H LYS A 23 -12.455 -0.687 -5.399 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.417 -0.705 -5.331 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.434 1.590 -5.426 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -15.083 1.780 -5.987 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.950 1.193 -3.768 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.329 0.860 -3.190 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.701 3.244 -3.656 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.349 3.561 -4.160 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.689 2.429 -1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.721 4.154 -1.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.834 3.378 -0.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -17.027 3.951 -2.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.996 2.280 -2.159 1.00 0.00 H new ATOM 319 N THR A 24 -15.584 -0.752 -7.801 1.00 0.00 N ATOM 320 CA THR A 24 -15.676 -0.917 -9.246 1.00 0.00 C ATOM 321 C THR A 24 -14.940 0.201 -9.975 1.00 0.00 C ATOM 322 O THR A 24 -15.422 1.332 -10.046 1.00 0.00 O ATOM 323 CB THR A 24 -17.143 -0.943 -9.715 1.00 0.00 C ATOM 324 OG1 THR A 24 -17.912 -1.808 -8.873 1.00 0.00 O ATOM 325 CG2 THR A 24 -17.240 -1.413 -11.159 1.00 0.00 C ATOM 0 H THR A 24 -16.455 -0.927 -7.300 1.00 0.00 H new ATOM 0 HA THR A 24 -15.208 -1.872 -9.486 1.00 0.00 H new ATOM 0 HB THR A 24 -17.540 0.070 -9.651 1.00 0.00 H new ATOM 0 HG1 THR A 24 -18.837 -1.487 -8.832 1.00 0.00 H new ATOM 0 HG21 THR A 24 -18.285 -1.423 -11.469 1.00 0.00 H new ATOM 0 HG22 THR A 24 -16.678 -0.735 -11.801 1.00 0.00 H new ATOM 0 HG23 THR A 24 -16.827 -2.418 -11.243 1.00 0.00 H new ATOM 333 N VAL A 25 -13.770 -0.121 -10.517 1.00 0.00 N ATOM 334 CA VAL A 25 -12.968 0.856 -11.243 1.00 0.00 C ATOM 335 C VAL A 25 -13.569 1.152 -12.612 1.00 0.00 C ATOM 336 O VAL A 25 -13.800 0.242 -13.410 1.00 0.00 O ATOM 337 CB VAL A 25 -11.518 0.369 -11.425 1.00 0.00 C ATOM 338 CG1 VAL A 25 -10.727 1.352 -12.274 1.00 0.00 C ATOM 339 CG2 VAL A 25 -10.852 0.163 -10.073 1.00 0.00 C ATOM 0 H VAL A 25 -13.356 -1.052 -10.467 1.00 0.00 H new ATOM 0 HA VAL A 25 -12.964 1.768 -10.646 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.537 -0.589 -11.945 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.705 0.991 -12.392 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.194 1.444 -13.254 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.714 2.326 -11.785 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.828 -0.181 -10.220 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.843 1.105 -9.525 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.407 -0.583 -9.504 1.00 0.00 H new ATOM 349 N TYR A 26 -13.819 2.428 -12.879 1.00 0.00 N ATOM 350 CA TYR A 26 -14.395 2.844 -14.152 1.00 0.00 C ATOM 351 C TYR A 26 -13.319 2.951 -15.228 1.00 0.00 C ATOM 352 O TYR A 26 -12.123 3.005 -14.943 1.00 0.00 O ATOM 353 CB TYR A 26 -15.112 4.187 -13.997 1.00 0.00 C ATOM 354 CG TYR A 26 -16.589 4.054 -13.699 1.00 0.00 C ATOM 355 CD1 TYR A 26 -17.029 3.462 -12.522 1.00 0.00 C ATOM 356 CD2 TYR A 26 -17.543 4.518 -14.596 1.00 0.00 C ATOM 357 CE1 TYR A 26 -18.377 3.338 -12.245 1.00 0.00 C ATOM 358 CE2 TYR A 26 -18.893 4.400 -14.327 1.00 0.00 C ATOM 359 CZ TYR A 26 -19.305 3.808 -13.151 1.00 0.00 C ATOM 360 OH TYR A 26 -20.649 3.687 -12.880 1.00 0.00 O ATOM 0 H TYR A 26 -13.632 3.193 -12.231 1.00 0.00 H new ATOM 0 HA TYR A 26 -15.117 2.087 -14.459 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -14.637 4.752 -13.195 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -14.985 4.765 -14.912 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -16.305 3.092 -11.811 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -17.224 4.979 -15.519 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -18.702 2.876 -11.325 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -19.622 4.769 -15.033 1.00 0.00 H new ATOM 0 HH TYR A 26 -21.167 4.069 -13.619 1.00 0.00 H new ATOM 370 N PRO A 27 -13.754 2.983 -16.497 1.00 0.00 N ATOM 371 CA PRO A 27 -12.845 3.085 -17.643 1.00 0.00 C ATOM 372 C PRO A 27 -12.178 4.453 -17.734 1.00 0.00 C ATOM 373 O PRO A 27 -11.347 4.692 -18.609 1.00 0.00 O ATOM 374 CB PRO A 27 -13.764 2.857 -18.846 1.00 0.00 C ATOM 375 CG PRO A 27 -15.115 3.268 -18.373 1.00 0.00 C ATOM 376 CD PRO A 27 -15.166 2.923 -16.911 1.00 0.00 C ATOM 0 HA PRO A 27 -12.023 2.372 -17.576 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.448 3.450 -19.704 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.755 1.813 -19.159 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -15.274 4.335 -18.528 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -15.897 2.746 -18.924 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -15.779 3.630 -16.352 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -15.591 1.933 -16.746 1.00 0.00 H new ATOM 384 N MET A 28 -12.547 5.348 -16.823 1.00 0.00 N ATOM 385 CA MET A 28 -11.982 6.692 -16.800 1.00 0.00 C ATOM 386 C MET A 28 -10.887 6.804 -15.745 1.00 0.00 C ATOM 387 O MET A 28 -9.935 7.567 -15.904 1.00 0.00 O ATOM 388 CB MET A 28 -13.078 7.724 -16.527 1.00 0.00 C ATOM 389 CG MET A 28 -13.832 8.156 -17.774 1.00 0.00 C ATOM 390 SD MET A 28 -13.060 9.559 -18.602 1.00 0.00 S ATOM 391 CE MET A 28 -14.495 10.560 -18.981 1.00 0.00 C ATOM 0 H MET A 28 -13.234 5.167 -16.092 1.00 0.00 H new ATOM 0 HA MET A 28 -11.541 6.891 -17.777 1.00 0.00 H new ATOM 0 HB2 MET A 28 -13.786 7.308 -15.810 1.00 0.00 H new ATOM 0 HB3 MET A 28 -12.631 8.602 -16.061 1.00 0.00 H new ATOM 0 HG2 MET A 28 -13.890 7.317 -18.467 1.00 0.00 H new ATOM 0 HG3 MET A 28 -14.855 8.417 -17.503 1.00 0.00 H new ATOM 0 HE1 MET A 28 -14.180 11.467 -19.497 1.00 0.00 H new ATOM 0 HE2 MET A 28 -15.173 9.996 -19.621 1.00 0.00 H new ATOM 0 HE3 MET A 28 -15.007 10.827 -18.056 1.00 0.00 H new ATOM 401 N GLU A 29 -11.029 6.039 -14.667 1.00 0.00 N ATOM 402 CA GLU A 29 -10.052 6.054 -13.585 1.00 0.00 C ATOM 403 C GLU A 29 -9.366 4.697 -13.453 1.00 0.00 C ATOM 404 O GLU A 29 -8.960 4.299 -12.361 1.00 0.00 O ATOM 405 CB GLU A 29 -10.726 6.428 -12.264 1.00 0.00 C ATOM 406 CG GLU A 29 -12.005 5.655 -11.993 1.00 0.00 C ATOM 407 CD GLU A 29 -12.670 6.064 -10.693 1.00 0.00 C ATOM 408 OE1 GLU A 29 -12.520 7.237 -10.293 1.00 0.00 O ATOM 409 OE2 GLU A 29 -13.341 5.210 -10.076 1.00 0.00 O ATOM 0 H GLU A 29 -11.811 5.401 -14.520 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.296 6.802 -13.823 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.026 6.254 -11.447 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.950 7.495 -12.270 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.701 5.811 -12.817 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.781 4.589 -11.962 1.00 0.00 H new ATOM 416 N ARG A 30 -9.241 3.992 -14.572 1.00 0.00 N ATOM 417 CA ARG A 30 -8.606 2.679 -14.581 1.00 0.00 C ATOM 418 C ARG A 30 -7.111 2.800 -14.862 1.00 0.00 C ATOM 419 O ARG A 30 -6.699 3.050 -15.995 1.00 0.00 O ATOM 420 CB ARG A 30 -9.262 1.780 -15.631 1.00 0.00 C ATOM 421 CG ARG A 30 -8.650 0.391 -15.710 1.00 0.00 C ATOM 422 CD ARG A 30 -8.914 -0.258 -17.060 1.00 0.00 C ATOM 423 NE ARG A 30 -8.390 -1.620 -17.124 1.00 0.00 N ATOM 424 CZ ARG A 30 -7.132 -1.910 -17.435 1.00 0.00 C ATOM 425 NH1 ARG A 30 -6.272 -0.937 -17.707 1.00 0.00 N ATOM 426 NH2 ARG A 30 -6.730 -3.174 -17.472 1.00 0.00 N ATOM 0 H ARG A 30 -9.571 4.307 -15.484 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.738 2.232 -13.596 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.324 1.688 -15.406 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.184 2.259 -16.607 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.575 0.456 -15.540 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.061 -0.235 -14.918 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.987 -0.273 -17.251 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.458 0.343 -17.847 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.026 -2.391 -16.918 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.577 0.036 -17.677 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.306 -1.162 -17.946 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.388 -3.925 -17.261 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.763 -3.395 -17.711 1.00 0.00 H new ATOM 440 N LEU A 31 -6.303 2.623 -13.822 1.00 0.00 N ATOM 441 CA LEU A 31 -4.853 2.712 -13.956 1.00 0.00 C ATOM 442 C LEU A 31 -4.203 1.348 -13.752 1.00 0.00 C ATOM 443 O LEU A 31 -4.204 0.806 -12.645 1.00 0.00 O ATOM 444 CB LEU A 31 -4.290 3.715 -12.947 1.00 0.00 C ATOM 445 CG LEU A 31 -2.770 3.887 -12.950 1.00 0.00 C ATOM 446 CD1 LEU A 31 -2.396 5.327 -12.636 1.00 0.00 C ATOM 447 CD2 LEU A 31 -2.124 2.936 -11.952 1.00 0.00 C ATOM 0 H LEU A 31 -6.627 2.417 -12.877 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.625 3.054 -14.966 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.746 4.687 -13.137 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.599 3.408 -11.948 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.397 3.645 -13.945 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.311 5.431 -12.642 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.828 5.987 -13.388 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.780 5.597 -11.652 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.043 3.072 -11.967 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.502 3.147 -10.952 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.364 1.908 -12.222 1.00 0.00 H new ATOM 459 N LEU A 32 -3.646 0.798 -14.825 1.00 0.00 N ATOM 460 CA LEU A 32 -2.988 -0.503 -14.764 1.00 0.00 C ATOM 461 C LEU A 32 -1.653 -0.405 -14.035 1.00 0.00 C ATOM 462 O LEU A 32 -0.787 0.386 -14.409 1.00 0.00 O ATOM 463 CB LEU A 32 -2.773 -1.054 -16.175 1.00 0.00 C ATOM 464 CG LEU A 32 -2.816 -2.577 -16.315 1.00 0.00 C ATOM 465 CD1 LEU A 32 -1.785 -3.225 -15.404 1.00 0.00 C ATOM 466 CD2 LEU A 32 -4.210 -3.102 -16.004 1.00 0.00 C ATOM 0 H LEU A 32 -3.637 1.232 -15.748 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.634 -1.183 -14.209 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.533 -0.627 -16.830 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.807 -0.703 -16.537 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.574 -2.835 -17.346 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.830 -4.308 -15.517 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.789 -2.873 -15.673 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.996 -2.959 -14.368 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.222 -4.187 -16.109 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.481 -2.833 -14.983 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.927 -2.663 -16.697 1.00 0.00 H new ATOM 478 N ALA A 33 -1.492 -1.215 -12.993 1.00 0.00 N ATOM 479 CA ALA A 33 -0.260 -1.222 -12.214 1.00 0.00 C ATOM 480 C ALA A 33 0.086 -2.631 -11.747 1.00 0.00 C ATOM 481 O ALA A 33 -0.593 -3.196 -10.890 1.00 0.00 O ATOM 482 CB ALA A 33 -0.384 -0.284 -11.022 1.00 0.00 C ATOM 0 H ALA A 33 -2.200 -1.875 -12.669 1.00 0.00 H new ATOM 0 HA ALA A 33 0.548 -0.872 -12.856 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.543 -0.299 -10.449 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.576 0.729 -11.375 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.208 -0.609 -10.387 1.00 0.00 H new ATOM 488 N ASN A 34 1.146 -3.195 -12.316 1.00 0.00 N ATOM 489 CA ASN A 34 1.582 -4.540 -11.958 1.00 0.00 C ATOM 490 C ASN A 34 0.510 -5.569 -12.306 1.00 0.00 C ATOM 491 O ASN A 34 0.261 -6.501 -11.543 1.00 0.00 O ATOM 492 CB ASN A 34 1.909 -4.613 -10.466 1.00 0.00 C ATOM 493 CG ASN A 34 3.371 -4.330 -10.180 1.00 0.00 C ATOM 494 OD1 ASN A 34 3.979 -3.458 -10.801 1.00 0.00 O ATOM 495 ND2 ASN A 34 3.943 -5.068 -9.236 1.00 0.00 N ATOM 0 H ASN A 34 1.719 -2.741 -13.027 1.00 0.00 H new ATOM 0 HA ASN A 34 2.481 -4.768 -12.531 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.291 -3.896 -9.926 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.653 -5.603 -10.089 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.925 -4.923 -9.000 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.401 -5.780 -8.747 1.00 0.00 H new ATOM 502 N GLN A 35 -0.119 -5.392 -13.463 1.00 0.00 N ATOM 503 CA GLN A 35 -1.164 -6.305 -13.912 1.00 0.00 C ATOM 504 C GLN A 35 -2.345 -6.297 -12.947 1.00 0.00 C ATOM 505 O GLN A 35 -2.903 -7.346 -12.627 1.00 0.00 O ATOM 506 CB GLN A 35 -0.608 -7.724 -14.044 1.00 0.00 C ATOM 507 CG GLN A 35 0.558 -7.833 -15.014 1.00 0.00 C ATOM 508 CD GLN A 35 0.677 -9.212 -15.631 1.00 0.00 C ATOM 509 OE1 GLN A 35 0.294 -9.425 -16.782 1.00 0.00 O ATOM 510 NE2 GLN A 35 1.212 -10.158 -14.868 1.00 0.00 N ATOM 0 H GLN A 35 0.076 -4.625 -14.107 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.513 -5.967 -14.888 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.287 -8.072 -13.062 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.407 -8.389 -14.373 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.437 -7.094 -15.806 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.484 -7.592 -14.492 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.516 -9.937 -13.920 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.319 -11.105 -15.230 1.00 0.00 H new ATOM 519 N GLN A 36 -2.719 -5.108 -12.487 1.00 0.00 N ATOM 520 CA GLN A 36 -3.833 -4.964 -11.557 1.00 0.00 C ATOM 521 C GLN A 36 -4.502 -3.603 -11.715 1.00 0.00 C ATOM 522 O GLN A 36 -3.840 -2.603 -11.994 1.00 0.00 O ATOM 523 CB GLN A 36 -3.350 -5.145 -10.117 1.00 0.00 C ATOM 524 CG GLN A 36 -3.347 -6.593 -9.654 1.00 0.00 C ATOM 525 CD GLN A 36 -3.457 -6.723 -8.147 1.00 0.00 C ATOM 526 OE1 GLN A 36 -4.394 -7.335 -7.632 1.00 0.00 O ATOM 527 NE2 GLN A 36 -2.498 -6.148 -7.431 1.00 0.00 N ATOM 0 H GLN A 36 -2.267 -4.230 -12.743 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.566 -5.737 -11.786 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.341 -4.741 -10.027 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.987 -4.561 -9.453 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.177 -7.122 -10.122 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.430 -7.077 -9.991 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.740 -5.651 -7.899 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.519 -6.203 -6.413 1.00 0.00 H new ATOM 536 N VAL A 37 -5.818 -3.571 -11.534 1.00 0.00 N ATOM 537 CA VAL A 37 -6.577 -2.332 -11.655 1.00 0.00 C ATOM 538 C VAL A 37 -6.400 -1.456 -10.420 1.00 0.00 C ATOM 539 O VAL A 37 -6.769 -1.846 -9.312 1.00 0.00 O ATOM 540 CB VAL A 37 -8.078 -2.611 -11.863 1.00 0.00 C ATOM 541 CG1 VAL A 37 -8.842 -1.309 -12.049 1.00 0.00 C ATOM 542 CG2 VAL A 37 -8.288 -3.537 -13.052 1.00 0.00 C ATOM 0 H VAL A 37 -6.381 -4.389 -11.303 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.189 -1.807 -12.528 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.465 -3.107 -10.973 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.900 -1.526 -12.195 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.718 -0.685 -11.164 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -8.456 -0.782 -12.922 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.354 -3.723 -13.184 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -7.887 -3.071 -13.952 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.774 -4.481 -12.873 1.00 0.00 H new ATOM 552 N PHE A 38 -5.835 -0.270 -10.619 1.00 0.00 N ATOM 553 CA PHE A 38 -5.608 0.662 -9.520 1.00 0.00 C ATOM 554 C PHE A 38 -6.229 2.022 -9.825 1.00 0.00 C ATOM 555 O PHE A 38 -6.352 2.415 -10.986 1.00 0.00 O ATOM 556 CB PHE A 38 -4.109 0.820 -9.258 1.00 0.00 C ATOM 557 CG PHE A 38 -3.534 -0.266 -8.395 1.00 0.00 C ATOM 558 CD1 PHE A 38 -3.556 -0.157 -7.014 1.00 0.00 C ATOM 559 CD2 PHE A 38 -2.971 -1.397 -8.965 1.00 0.00 C ATOM 560 CE1 PHE A 38 -3.026 -1.155 -6.218 1.00 0.00 C ATOM 561 CE2 PHE A 38 -2.441 -2.399 -8.174 1.00 0.00 C ATOM 562 CZ PHE A 38 -2.469 -2.278 -6.799 1.00 0.00 C ATOM 0 H PHE A 38 -5.526 0.069 -11.530 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.084 0.256 -8.627 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.581 0.833 -10.211 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.931 1.784 -8.782 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.992 0.718 -6.554 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.946 -1.497 -10.040 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.047 -1.057 -5.143 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.006 -3.275 -8.631 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.056 -3.060 -6.179 1.00 0.00 H new ATOM 572 N HIS A 39 -6.619 2.737 -8.774 1.00 0.00 N ATOM 573 CA HIS A 39 -7.228 4.054 -8.928 1.00 0.00 C ATOM 574 C HIS A 39 -6.159 5.141 -8.994 1.00 0.00 C ATOM 575 O HIS A 39 -5.343 5.278 -8.082 1.00 0.00 O ATOM 576 CB HIS A 39 -8.187 4.334 -7.771 1.00 0.00 C ATOM 577 CG HIS A 39 -9.596 3.906 -8.045 1.00 0.00 C ATOM 578 ND1 HIS A 39 -10.482 3.551 -7.049 1.00 0.00 N ATOM 579 CD2 HIS A 39 -10.272 3.779 -9.211 1.00 0.00 C ATOM 580 CE1 HIS A 39 -11.641 3.222 -7.591 1.00 0.00 C ATOM 581 NE2 HIS A 39 -11.541 3.352 -8.901 1.00 0.00 N ATOM 0 H HIS A 39 -6.524 2.427 -7.807 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.788 4.062 -9.863 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.827 3.821 -6.879 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.176 5.402 -7.551 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.886 3.976 -10.200 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.521 2.901 -7.054 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.285 3.166 -9.574 1.00 0.00 H new ATOM 589 N ILE A 40 -6.171 5.911 -10.076 1.00 0.00 N ATOM 590 CA ILE A 40 -5.204 6.986 -10.259 1.00 0.00 C ATOM 591 C ILE A 40 -4.927 7.706 -8.944 1.00 0.00 C ATOM 592 O ILE A 40 -3.862 8.295 -8.759 1.00 0.00 O ATOM 593 CB ILE A 40 -5.692 8.011 -11.300 1.00 0.00 C ATOM 594 CG1 ILE A 40 -5.668 7.398 -12.702 1.00 0.00 C ATOM 595 CG2 ILE A 40 -4.833 9.266 -11.251 1.00 0.00 C ATOM 596 CD1 ILE A 40 -6.988 6.785 -13.116 1.00 0.00 C ATOM 0 H ILE A 40 -6.840 5.811 -10.840 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.284 6.525 -10.619 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.719 8.287 -11.062 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.393 8.169 -13.422 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.893 6.633 -12.742 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.190 9.981 -11.992 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.896 9.711 -10.258 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.797 9.006 -11.467 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.898 6.370 -14.120 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.256 5.992 -12.418 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.763 7.551 -13.109 1.00 0.00 H new ATOM 608 N SER A 41 -5.893 7.654 -8.032 1.00 0.00 N ATOM 609 CA SER A 41 -5.754 8.303 -6.734 1.00 0.00 C ATOM 610 C SER A 41 -5.207 7.328 -5.695 1.00 0.00 C ATOM 611 O SER A 41 -4.202 7.602 -5.038 1.00 0.00 O ATOM 612 CB SER A 41 -7.103 8.857 -6.270 1.00 0.00 C ATOM 613 OG SER A 41 -6.972 9.559 -5.046 1.00 0.00 O ATOM 0 H SER A 41 -6.780 7.169 -8.168 1.00 0.00 H new ATOM 0 HA SER A 41 -5.048 9.127 -6.841 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.508 9.522 -7.033 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.814 8.039 -6.150 1.00 0.00 H new ATOM 0 HG SER A 41 -7.847 9.904 -4.772 1.00 0.00 H new ATOM 619 N CYS A 42 -5.877 6.189 -5.552 1.00 0.00 N ATOM 620 CA CYS A 42 -5.460 5.173 -4.593 1.00 0.00 C ATOM 621 C CYS A 42 -3.980 4.843 -4.759 1.00 0.00 C ATOM 622 O CYS A 42 -3.260 4.657 -3.777 1.00 0.00 O ATOM 623 CB CYS A 42 -6.299 3.905 -4.766 1.00 0.00 C ATOM 624 SG CYS A 42 -8.059 4.114 -4.341 1.00 0.00 S ATOM 0 H CYS A 42 -6.710 5.947 -6.088 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.615 5.570 -3.590 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.223 3.570 -5.801 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.877 3.115 -4.144 1.00 0.00 H new ATOM 629 N PHE A 43 -3.531 4.771 -6.008 1.00 0.00 N ATOM 630 CA PHE A 43 -2.137 4.463 -6.303 1.00 0.00 C ATOM 631 C PHE A 43 -1.201 5.243 -5.384 1.00 0.00 C ATOM 632 O PHE A 43 -0.802 6.365 -5.695 1.00 0.00 O ATOM 633 CB PHE A 43 -1.820 4.785 -7.765 1.00 0.00 C ATOM 634 CG PHE A 43 -0.766 3.895 -8.360 1.00 0.00 C ATOM 635 CD1 PHE A 43 -0.818 2.522 -8.179 1.00 0.00 C ATOM 636 CD2 PHE A 43 0.275 4.431 -9.100 1.00 0.00 C ATOM 637 CE1 PHE A 43 0.151 1.701 -8.725 1.00 0.00 C ATOM 638 CE2 PHE A 43 1.246 3.615 -9.649 1.00 0.00 C ATOM 639 CZ PHE A 43 1.183 2.248 -9.462 1.00 0.00 C ATOM 0 H PHE A 43 -4.113 4.922 -6.832 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.982 3.398 -6.131 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.733 4.698 -8.354 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.492 5.822 -7.837 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.624 2.089 -7.605 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.329 5.499 -9.250 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.101 0.633 -8.575 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.053 4.046 -10.223 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.939 1.608 -9.891 1.00 0.00 H new ATOM 649 N ARG A 44 -0.856 4.640 -4.251 1.00 0.00 N ATOM 650 CA ARG A 44 0.031 5.278 -3.286 1.00 0.00 C ATOM 651 C ARG A 44 0.984 4.260 -2.668 1.00 0.00 C ATOM 652 O ARG A 44 0.866 3.058 -2.907 1.00 0.00 O ATOM 653 CB ARG A 44 -0.785 5.962 -2.187 1.00 0.00 C ATOM 654 CG ARG A 44 -1.773 6.990 -2.712 1.00 0.00 C ATOM 655 CD ARG A 44 -2.851 7.303 -1.685 1.00 0.00 C ATOM 656 NE ARG A 44 -3.642 8.471 -2.061 1.00 0.00 N ATOM 657 CZ ARG A 44 -3.257 9.723 -1.836 1.00 0.00 C ATOM 658 NH1 ARG A 44 -2.098 9.966 -1.240 1.00 0.00 N ATOM 659 NH2 ARG A 44 -4.033 10.733 -2.206 1.00 0.00 N ATOM 0 H ARG A 44 -1.177 3.711 -3.979 1.00 0.00 H new ATOM 0 HA ARG A 44 0.621 6.029 -3.812 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.328 5.203 -1.624 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.103 6.449 -1.490 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.242 7.905 -2.974 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.237 6.617 -3.625 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.508 6.440 -1.575 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.387 7.477 -0.714 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.539 8.318 -2.522 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.500 9.191 -0.953 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.805 10.928 -1.068 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.926 10.549 -2.664 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.737 11.694 -2.033 1.00 0.00 H new ATOM 673 N CYS A 45 1.929 4.749 -1.872 1.00 0.00 N ATOM 674 CA CYS A 45 2.904 3.883 -1.220 1.00 0.00 C ATOM 675 C CYS A 45 2.338 3.305 0.075 1.00 0.00 C ATOM 676 O CYS A 45 1.680 4.006 0.844 1.00 0.00 O ATOM 677 CB CYS A 45 4.190 4.658 -0.926 1.00 0.00 C ATOM 678 SG CYS A 45 5.405 3.733 0.067 1.00 0.00 S ATOM 0 H CYS A 45 2.040 5.741 -1.663 1.00 0.00 H new ATOM 0 HA CYS A 45 3.131 3.059 -1.897 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.652 4.946 -1.870 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.935 5.579 -0.402 1.00 0.00 H new ATOM 683 N SER A 46 2.601 2.024 0.309 1.00 0.00 N ATOM 684 CA SER A 46 2.115 1.351 1.508 1.00 0.00 C ATOM 685 C SER A 46 3.016 1.653 2.703 1.00 0.00 C ATOM 686 O SER A 46 3.118 0.855 3.635 1.00 0.00 O ATOM 687 CB SER A 46 2.045 -0.160 1.278 1.00 0.00 C ATOM 688 OG SER A 46 3.274 -0.784 1.604 1.00 0.00 O ATOM 0 H SER A 46 3.148 1.431 -0.315 1.00 0.00 H new ATOM 0 HA SER A 46 1.114 1.725 1.724 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.245 -0.586 1.884 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.797 -0.361 0.236 1.00 0.00 H new ATOM 0 HG SER A 46 3.951 -0.540 0.939 1.00 0.00 H new ATOM 694 N TYR A 47 3.666 2.810 2.667 1.00 0.00 N ATOM 695 CA TYR A 47 4.560 3.218 3.744 1.00 0.00 C ATOM 696 C TYR A 47 4.319 4.674 4.131 1.00 0.00 C ATOM 697 O TYR A 47 4.090 4.989 5.299 1.00 0.00 O ATOM 698 CB TYR A 47 6.019 3.025 3.326 1.00 0.00 C ATOM 699 CG TYR A 47 6.993 3.080 4.481 1.00 0.00 C ATOM 700 CD1 TYR A 47 7.076 4.206 5.291 1.00 0.00 C ATOM 701 CD2 TYR A 47 7.830 2.008 4.762 1.00 0.00 C ATOM 702 CE1 TYR A 47 7.965 4.262 6.347 1.00 0.00 C ATOM 703 CE2 TYR A 47 8.721 2.054 5.817 1.00 0.00 C ATOM 704 CZ TYR A 47 8.785 3.183 6.606 1.00 0.00 C ATOM 705 OH TYR A 47 9.672 3.234 7.657 1.00 0.00 O ATOM 0 H TYR A 47 3.591 3.482 1.904 1.00 0.00 H new ATOM 0 HA TYR A 47 4.351 2.591 4.611 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.120 2.063 2.823 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.285 3.794 2.601 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.435 5.052 5.092 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.784 1.123 4.145 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.018 5.145 6.966 1.00 0.00 H new ATOM 0 HE2 TYR A 47 9.364 1.211 6.022 1.00 0.00 H new ATOM 0 HH TYR A 47 10.174 2.393 7.703 1.00 0.00 H new ATOM 715 N CYS A 48 4.372 5.559 3.140 1.00 0.00 N ATOM 716 CA CYS A 48 4.160 6.982 3.374 1.00 0.00 C ATOM 717 C CYS A 48 2.767 7.406 2.917 1.00 0.00 C ATOM 718 O CYS A 48 2.178 8.334 3.469 1.00 0.00 O ATOM 719 CB CYS A 48 5.221 7.804 2.640 1.00 0.00 C ATOM 720 SG CYS A 48 5.520 7.271 0.924 1.00 0.00 S ATOM 0 H CYS A 48 4.560 5.315 2.168 1.00 0.00 H new ATOM 0 HA CYS A 48 4.244 7.166 4.445 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.916 8.850 2.636 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.157 7.747 3.195 1.00 0.00 H new ATOM 725 N ASN A 49 2.247 6.718 1.906 1.00 0.00 N ATOM 726 CA ASN A 49 0.923 7.023 1.375 1.00 0.00 C ATOM 727 C ASN A 49 0.955 8.295 0.532 1.00 0.00 C ATOM 728 O ASN A 49 0.190 9.229 0.771 1.00 0.00 O ATOM 729 CB ASN A 49 -0.084 7.179 2.516 1.00 0.00 C ATOM 730 CG ASN A 49 -1.505 6.882 2.077 1.00 0.00 C ATOM 731 OD1 ASN A 49 -2.197 7.903 1.584 1.00 0.00 O flip ATOM 732 ND2 ASN A 49 -1.975 5.749 2.181 1.00 0.00 N flip ATOM 0 H ASN A 49 2.722 5.946 1.438 1.00 0.00 H new ATOM 0 HA ASN A 49 0.614 6.194 0.738 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.189 6.510 3.332 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -0.032 8.195 2.907 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.407 4.994 2.566 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.933 5.565 1.882 1.00 0.00 H new ATOM 739 N ASN A 50 1.845 8.323 -0.454 1.00 0.00 N ATOM 740 CA ASN A 50 1.977 9.480 -1.332 1.00 0.00 C ATOM 741 C ASN A 50 1.600 9.120 -2.766 1.00 0.00 C ATOM 742 O ASN A 50 2.232 8.267 -3.391 1.00 0.00 O ATOM 743 CB ASN A 50 3.408 10.019 -1.289 1.00 0.00 C ATOM 744 CG ASN A 50 3.920 10.187 0.129 1.00 0.00 C ATOM 745 OD1 ASN A 50 3.142 10.211 1.083 1.00 0.00 O ATOM 746 ND2 ASN A 50 5.235 10.303 0.273 1.00 0.00 N ATOM 0 H ASN A 50 2.486 7.558 -0.665 1.00 0.00 H new ATOM 0 HA ASN A 50 1.294 10.253 -0.978 1.00 0.00 H new ATOM 0 HB2 ASN A 50 4.066 9.340 -1.832 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.447 10.979 -1.803 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.638 10.417 1.203 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.842 10.278 -0.546 1.00 0.00 H new ATOM 753 N LYS A 51 0.568 9.776 -3.284 1.00 0.00 N ATOM 754 CA LYS A 51 0.107 9.528 -4.645 1.00 0.00 C ATOM 755 C LYS A 51 1.284 9.260 -5.577 1.00 0.00 C ATOM 756 O LYS A 51 2.225 10.052 -5.648 1.00 0.00 O ATOM 757 CB LYS A 51 -0.702 10.722 -5.157 1.00 0.00 C ATOM 758 CG LYS A 51 -1.829 10.335 -6.098 1.00 0.00 C ATOM 759 CD LYS A 51 -1.297 9.857 -7.438 1.00 0.00 C ATOM 760 CE LYS A 51 -1.190 11.000 -8.436 1.00 0.00 C ATOM 761 NZ LYS A 51 -0.093 10.779 -9.418 1.00 0.00 N ATOM 0 H LYS A 51 0.034 10.485 -2.781 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.531 8.644 -4.631 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.119 11.259 -4.305 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.031 11.411 -5.671 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.430 9.548 -5.643 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.487 11.191 -6.251 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.317 9.401 -7.300 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.955 9.085 -7.837 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.136 11.108 -8.967 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.016 11.934 -7.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.678 11.453 -9.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.267 9.808 -9.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.456 10.922 -10.382 1.00 0.00 H new ATOM 775 N LEU A 52 1.224 8.142 -6.291 1.00 0.00 N ATOM 776 CA LEU A 52 2.284 7.771 -7.222 1.00 0.00 C ATOM 777 C LEU A 52 1.777 7.785 -8.660 1.00 0.00 C ATOM 778 O LEU A 52 0.638 8.172 -8.923 1.00 0.00 O ATOM 779 CB LEU A 52 2.831 6.385 -6.875 1.00 0.00 C ATOM 780 CG LEU A 52 3.335 6.201 -5.443 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.424 4.723 -5.095 1.00 0.00 C ATOM 782 CD2 LEU A 52 4.686 6.876 -5.262 1.00 0.00 C ATOM 0 H LEU A 52 0.453 7.476 -6.243 1.00 0.00 H new ATOM 0 HA LEU A 52 3.085 8.505 -7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.047 5.650 -7.060 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.649 6.158 -7.559 1.00 0.00 H new ATOM 0 HG LEU A 52 2.623 6.671 -4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.784 4.611 -4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.437 4.268 -5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.114 4.229 -5.779 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.029 6.735 -4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.408 6.436 -5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.591 7.942 -5.469 1.00 0.00 H new ATOM 794 N SER A 53 2.628 7.357 -9.587 1.00 0.00 N ATOM 795 CA SER A 53 2.267 7.322 -10.999 1.00 0.00 C ATOM 796 C SER A 53 2.867 6.098 -11.683 1.00 0.00 C ATOM 797 O SER A 53 3.636 5.349 -11.079 1.00 0.00 O ATOM 798 CB SER A 53 2.740 8.596 -11.701 1.00 0.00 C ATOM 799 OG SER A 53 1.755 9.612 -11.632 1.00 0.00 O ATOM 0 H SER A 53 3.573 7.030 -9.385 1.00 0.00 H new ATOM 0 HA SER A 53 1.181 7.260 -11.069 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.663 8.948 -11.240 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.968 8.377 -12.744 1.00 0.00 H new ATOM 0 HG SER A 53 2.082 10.416 -12.086 1.00 0.00 H new ATOM 805 N LEU A 54 2.511 5.900 -12.948 1.00 0.00 N ATOM 806 CA LEU A 54 3.015 4.767 -13.716 1.00 0.00 C ATOM 807 C LEU A 54 4.462 4.997 -14.141 1.00 0.00 C ATOM 808 O LEU A 54 4.815 4.809 -15.304 1.00 0.00 O ATOM 809 CB LEU A 54 2.140 4.534 -14.950 1.00 0.00 C ATOM 810 CG LEU A 54 0.711 4.061 -14.680 1.00 0.00 C ATOM 811 CD1 LEU A 54 -0.073 3.963 -15.979 1.00 0.00 C ATOM 812 CD2 LEU A 54 0.720 2.721 -13.958 1.00 0.00 C ATOM 0 H LEU A 54 1.875 6.509 -13.463 1.00 0.00 H new ATOM 0 HA LEU A 54 2.979 3.883 -13.079 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.093 5.463 -15.518 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.631 3.797 -15.585 1.00 0.00 H new ATOM 0 HG LEU A 54 0.221 4.794 -14.038 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.087 3.625 -15.767 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.109 4.942 -16.457 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.415 3.252 -16.646 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.305 2.400 -13.774 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.228 1.979 -14.574 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.244 2.823 -13.008 1.00 0.00 H new ATOM 824 N GLY A 55 5.296 5.402 -13.188 1.00 0.00 N ATOM 825 CA GLY A 55 6.695 5.648 -13.482 1.00 0.00 C ATOM 826 C GLY A 55 7.531 5.813 -12.228 1.00 0.00 C ATOM 827 O GLY A 55 8.717 5.484 -12.215 1.00 0.00 O ATOM 0 H GLY A 55 5.027 5.564 -12.217 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.090 4.821 -14.072 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.782 6.546 -14.094 1.00 0.00 H new ATOM 831 N THR A 56 6.912 6.327 -11.170 1.00 0.00 N ATOM 832 CA THR A 56 7.607 6.539 -9.906 1.00 0.00 C ATOM 833 C THR A 56 7.150 5.536 -8.853 1.00 0.00 C ATOM 834 O THR A 56 7.456 5.681 -7.669 1.00 0.00 O ATOM 835 CB THR A 56 7.380 7.966 -9.372 1.00 0.00 C ATOM 836 OG1 THR A 56 6.015 8.128 -8.972 1.00 0.00 O ATOM 837 CG2 THR A 56 7.730 9.001 -10.431 1.00 0.00 C ATOM 0 H THR A 56 5.930 6.604 -11.163 1.00 0.00 H new ATOM 0 HA THR A 56 8.670 6.398 -10.102 1.00 0.00 H new ATOM 0 HB THR A 56 8.030 8.116 -8.510 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.879 9.037 -8.632 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.562 10.001 -10.032 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.778 8.894 -10.712 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.101 8.850 -11.309 1.00 0.00 H new ATOM 845 N TYR A 57 6.417 4.518 -9.290 1.00 0.00 N ATOM 846 CA TYR A 57 5.916 3.492 -8.384 1.00 0.00 C ATOM 847 C TYR A 57 6.838 2.277 -8.375 1.00 0.00 C ATOM 848 O TYR A 57 7.772 2.186 -9.171 1.00 0.00 O ATOM 849 CB TYR A 57 4.502 3.070 -8.789 1.00 0.00 C ATOM 850 CG TYR A 57 4.473 1.981 -9.838 1.00 0.00 C ATOM 851 CD1 TYR A 57 4.503 0.640 -9.475 1.00 0.00 C ATOM 852 CD2 TYR A 57 4.415 2.293 -11.190 1.00 0.00 C ATOM 853 CE1 TYR A 57 4.477 -0.359 -10.430 1.00 0.00 C ATOM 854 CE2 TYR A 57 4.386 1.301 -12.151 1.00 0.00 C ATOM 855 CZ TYR A 57 4.418 -0.023 -11.766 1.00 0.00 C ATOM 856 OH TYR A 57 4.391 -1.014 -12.721 1.00 0.00 O ATOM 0 H TYR A 57 6.157 4.382 -10.267 1.00 0.00 H new ATOM 0 HA TYR A 57 5.888 3.913 -7.379 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.967 2.725 -7.904 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.966 3.941 -9.166 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.547 0.374 -8.429 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.392 3.329 -11.495 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.503 -1.397 -10.131 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.339 1.561 -13.198 1.00 0.00 H new ATOM 0 HH TYR A 57 4.234 -1.880 -12.290 1.00 0.00 H new ATOM 866 N ALA A 58 6.569 1.344 -7.467 1.00 0.00 N ATOM 867 CA ALA A 58 7.371 0.133 -7.354 1.00 0.00 C ATOM 868 C ALA A 58 6.748 -0.849 -6.368 1.00 0.00 C ATOM 869 O ALA A 58 6.738 -0.609 -5.160 1.00 0.00 O ATOM 870 CB ALA A 58 8.791 0.478 -6.931 1.00 0.00 C ATOM 0 H ALA A 58 5.801 1.405 -6.799 1.00 0.00 H new ATOM 0 HA ALA A 58 7.401 -0.345 -8.333 1.00 0.00 H new ATOM 0 HB1 ALA A 58 9.379 -0.436 -6.851 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.242 1.135 -7.674 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.770 0.982 -5.965 1.00 0.00 H new ATOM 876 N SER A 59 6.227 -1.955 -6.890 1.00 0.00 N ATOM 877 CA SER A 59 5.597 -2.971 -6.056 1.00 0.00 C ATOM 878 C SER A 59 6.497 -4.195 -5.918 1.00 0.00 C ATOM 879 O SER A 59 7.271 -4.516 -6.821 1.00 0.00 O ATOM 880 CB SER A 59 4.246 -3.381 -6.646 1.00 0.00 C ATOM 881 OG SER A 59 3.816 -4.625 -6.121 1.00 0.00 O ATOM 0 H SER A 59 6.229 -2.170 -7.887 1.00 0.00 H new ATOM 0 HA SER A 59 5.438 -2.545 -5.066 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.503 -2.614 -6.428 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.325 -3.449 -7.731 1.00 0.00 H new ATOM 0 HG SER A 59 2.950 -4.864 -6.513 1.00 0.00 H new ATOM 887 N LEU A 60 6.390 -4.875 -4.782 1.00 0.00 N ATOM 888 CA LEU A 60 7.194 -6.065 -4.524 1.00 0.00 C ATOM 889 C LEU A 60 6.312 -7.305 -4.414 1.00 0.00 C ATOM 890 O LEU A 60 6.335 -8.175 -5.284 1.00 0.00 O ATOM 891 CB LEU A 60 8.006 -5.887 -3.239 1.00 0.00 C ATOM 892 CG LEU A 60 9.002 -7.001 -2.915 1.00 0.00 C ATOM 893 CD1 LEU A 60 9.973 -7.200 -4.068 1.00 0.00 C ATOM 894 CD2 LEU A 60 9.753 -6.688 -1.630 1.00 0.00 C ATOM 0 H LEU A 60 5.755 -4.623 -4.025 1.00 0.00 H new ATOM 0 HA LEU A 60 7.877 -6.201 -5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.553 -4.946 -3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.312 -5.794 -2.404 1.00 0.00 H new ATOM 0 HG LEU A 60 8.447 -7.928 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.674 -7.997 -3.820 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.420 -7.471 -4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.522 -6.275 -4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.457 -7.492 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.297 -5.750 -1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.044 -6.597 -0.807 1.00 0.00 H new ATOM 906 N HIS A 61 5.532 -7.377 -3.339 1.00 0.00 N ATOM 907 CA HIS A 61 4.640 -8.509 -3.116 1.00 0.00 C ATOM 908 C HIS A 61 3.180 -8.065 -3.154 1.00 0.00 C ATOM 909 O HIS A 61 2.390 -8.422 -2.281 1.00 0.00 O ATOM 910 CB HIS A 61 4.949 -9.173 -1.775 1.00 0.00 C ATOM 911 CG HIS A 61 6.315 -9.784 -1.709 1.00 0.00 C ATOM 912 ND1 HIS A 61 7.461 -9.331 -1.151 1.00 0.00 N flip ATOM 913 CD2 HIS A 61 6.619 -11.009 -2.266 1.00 0.00 C flip ATOM 914 CE1 HIS A 61 8.427 -10.281 -1.376 1.00 0.00 C flip ATOM 915 NE2 HIS A 61 7.893 -11.283 -2.050 1.00 0.00 N flip ATOM 0 H HIS A 61 5.500 -6.665 -2.609 1.00 0.00 H new ATOM 0 HA HIS A 61 4.803 -9.232 -3.916 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.853 -8.432 -0.981 1.00 0.00 H new ATOM 0 HB3 HIS A 61 4.205 -9.946 -1.582 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.924 -11.644 -2.796 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.456 -10.219 -1.054 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.381 -12.126 -2.353 1.00 0.00 H new ATOM 924 N GLY A 62 2.830 -7.284 -4.171 1.00 0.00 N ATOM 925 CA GLY A 62 1.466 -6.803 -4.302 1.00 0.00 C ATOM 926 C GLY A 62 1.290 -5.402 -3.752 1.00 0.00 C ATOM 927 O GLY A 62 0.477 -4.628 -4.257 1.00 0.00 O ATOM 0 H GLY A 62 3.466 -6.976 -4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.179 -6.816 -5.353 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.793 -7.482 -3.779 1.00 0.00 H new ATOM 931 N ARG A 63 2.052 -5.075 -2.713 1.00 0.00 N ATOM 932 CA ARG A 63 1.974 -3.758 -2.092 1.00 0.00 C ATOM 933 C ARG A 63 2.808 -2.742 -2.867 1.00 0.00 C ATOM 934 O ARG A 63 3.945 -3.020 -3.249 1.00 0.00 O ATOM 935 CB ARG A 63 2.452 -3.826 -0.641 1.00 0.00 C ATOM 936 CG ARG A 63 1.429 -4.427 0.310 1.00 0.00 C ATOM 937 CD ARG A 63 1.899 -4.351 1.754 1.00 0.00 C ATOM 938 NE ARG A 63 2.836 -5.421 2.082 1.00 0.00 N ATOM 939 CZ ARG A 63 3.348 -5.604 3.294 1.00 0.00 C ATOM 940 NH1 ARG A 63 3.015 -4.791 4.288 1.00 0.00 N ATOM 941 NH2 ARG A 63 4.195 -6.601 3.515 1.00 0.00 N ATOM 0 H ARG A 63 2.730 -5.704 -2.284 1.00 0.00 H new ATOM 0 HA ARG A 63 0.933 -3.436 -2.109 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.368 -4.416 -0.596 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.703 -2.821 -0.303 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.481 -3.900 0.207 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.246 -5.467 0.040 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.375 -3.386 1.930 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.037 -4.407 2.419 1.00 0.00 H new ATOM 0 HE ARG A 63 3.113 -6.064 1.340 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.364 -4.023 4.123 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.410 -4.934 5.218 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.454 -7.228 2.754 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.587 -6.740 4.446 1.00 0.00 H new ATOM 955 N ILE A 64 2.235 -1.565 -3.094 1.00 0.00 N ATOM 956 CA ILE A 64 2.925 -0.508 -3.822 1.00 0.00 C ATOM 957 C ILE A 64 3.873 0.261 -2.908 1.00 0.00 C ATOM 958 O ILE A 64 3.633 0.378 -1.706 1.00 0.00 O ATOM 959 CB ILE A 64 1.930 0.481 -4.459 1.00 0.00 C ATOM 960 CG1 ILE A 64 0.746 -0.275 -5.066 1.00 0.00 C ATOM 961 CG2 ILE A 64 2.625 1.325 -5.516 1.00 0.00 C ATOM 962 CD1 ILE A 64 1.129 -1.165 -6.228 1.00 0.00 C ATOM 0 H ILE A 64 1.295 -1.320 -2.784 1.00 0.00 H new ATOM 0 HA ILE A 64 3.498 -0.993 -4.612 1.00 0.00 H new ATOM 0 HB ILE A 64 1.553 1.146 -3.682 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.278 -0.883 -4.292 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.001 0.445 -5.401 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.909 2.019 -5.957 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.438 1.887 -5.056 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.027 0.676 -6.294 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.241 -1.669 -6.608 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.570 -0.560 -7.020 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.853 -1.908 -5.894 1.00 0.00 H new ATOM 974 N TYR A 65 4.949 0.784 -3.485 1.00 0.00 N ATOM 975 CA TYR A 65 5.933 1.542 -2.722 1.00 0.00 C ATOM 976 C TYR A 65 6.571 2.628 -3.583 1.00 0.00 C ATOM 977 O TYR A 65 6.693 2.481 -4.800 1.00 0.00 O ATOM 978 CB TYR A 65 7.014 0.608 -2.176 1.00 0.00 C ATOM 979 CG TYR A 65 6.580 -0.174 -0.956 1.00 0.00 C ATOM 980 CD1 TYR A 65 6.668 0.380 0.315 1.00 0.00 C ATOM 981 CD2 TYR A 65 6.081 -1.465 -1.076 1.00 0.00 C ATOM 982 CE1 TYR A 65 6.273 -0.331 1.432 1.00 0.00 C ATOM 983 CE2 TYR A 65 5.682 -2.182 0.035 1.00 0.00 C ATOM 984 CZ TYR A 65 5.780 -1.611 1.287 1.00 0.00 C ATOM 985 OH TYR A 65 5.385 -2.323 2.397 1.00 0.00 O ATOM 0 H TYR A 65 5.162 0.697 -4.479 1.00 0.00 H new ATOM 0 HA TYR A 65 5.419 2.020 -1.888 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.308 -0.091 -2.959 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.897 1.196 -1.925 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.051 1.383 0.432 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.004 -1.916 -2.055 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.350 0.113 2.413 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.295 -3.184 -0.076 1.00 0.00 H new ATOM 0 HH TYR A 65 4.457 -2.097 2.617 1.00 0.00 H new ATOM 995 N CYS A 66 6.978 3.719 -2.942 1.00 0.00 N ATOM 996 CA CYS A 66 7.605 4.831 -3.646 1.00 0.00 C ATOM 997 C CYS A 66 9.080 4.545 -3.912 1.00 0.00 C ATOM 998 O CYS A 66 9.649 3.599 -3.367 1.00 0.00 O ATOM 999 CB CYS A 66 7.462 6.121 -2.835 1.00 0.00 C ATOM 1000 SG CYS A 66 8.225 6.048 -1.183 1.00 0.00 S ATOM 0 H CYS A 66 6.885 3.856 -1.936 1.00 0.00 H new ATOM 0 HA CYS A 66 7.099 4.954 -4.604 1.00 0.00 H new ATOM 0 HB2 CYS A 66 7.911 6.941 -3.395 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.403 6.353 -2.724 1.00 0.00 H new ATOM 1005 N LYS A 67 9.694 5.369 -4.754 1.00 0.00 N ATOM 1006 CA LYS A 67 11.103 5.208 -5.092 1.00 0.00 C ATOM 1007 C LYS A 67 11.973 5.265 -3.841 1.00 0.00 C ATOM 1008 O LYS A 67 12.756 4.357 -3.558 1.00 0.00 O ATOM 1009 CB LYS A 67 11.539 6.294 -6.079 1.00 0.00 C ATOM 1010 CG LYS A 67 11.627 5.810 -7.516 1.00 0.00 C ATOM 1011 CD LYS A 67 10.249 5.582 -8.113 1.00 0.00 C ATOM 1012 CE LYS A 67 10.288 4.547 -9.227 1.00 0.00 C ATOM 1013 NZ LYS A 67 10.730 3.214 -8.730 1.00 0.00 N ATOM 0 H LYS A 67 9.237 6.156 -5.215 1.00 0.00 H new ATOM 0 HA LYS A 67 11.230 4.230 -5.557 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.835 7.125 -6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.512 6.681 -5.774 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.167 6.543 -8.115 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.199 4.883 -7.554 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.563 5.252 -7.333 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.860 6.523 -8.503 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.298 4.458 -9.675 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.964 4.884 -10.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.121 2.474 -9.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.716 3.046 -9.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.662 3.190 -7.692 1.00 0.00 H new ATOM 1027 N PRO A 68 11.834 6.354 -3.071 1.00 0.00 N ATOM 1028 CA PRO A 68 12.598 6.553 -1.836 1.00 0.00 C ATOM 1029 C PRO A 68 12.577 5.322 -0.936 1.00 0.00 C ATOM 1030 O PRO A 68 13.623 4.756 -0.617 1.00 0.00 O ATOM 1031 CB PRO A 68 11.878 7.723 -1.158 1.00 0.00 C ATOM 1032 CG PRO A 68 11.240 8.473 -2.276 1.00 0.00 C ATOM 1033 CD PRO A 68 10.920 7.475 -3.347 1.00 0.00 C ATOM 0 HA PRO A 68 13.653 6.741 -2.036 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.135 7.370 -0.443 1.00 0.00 H new ATOM 0 HB3 PRO A 68 12.577 8.352 -0.607 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.335 8.977 -1.936 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.911 9.244 -2.655 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.877 7.161 -3.302 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.085 7.889 -4.342 1.00 0.00 H new ATOM 1041 N HIS A 69 11.379 4.912 -0.530 1.00 0.00 N ATOM 1042 CA HIS A 69 11.223 3.746 0.333 1.00 0.00 C ATOM 1043 C HIS A 69 11.683 2.478 -0.379 1.00 0.00 C ATOM 1044 O HIS A 69 12.465 1.697 0.164 1.00 0.00 O ATOM 1045 CB HIS A 69 9.765 3.600 0.768 1.00 0.00 C ATOM 1046 CG HIS A 69 9.412 4.426 1.967 1.00 0.00 C ATOM 1047 ND1 HIS A 69 8.168 4.993 2.151 1.00 0.00 N ATOM 1048 CD2 HIS A 69 10.147 4.778 3.047 1.00 0.00 C ATOM 1049 CE1 HIS A 69 8.155 5.659 3.291 1.00 0.00 C ATOM 1050 NE2 HIS A 69 9.344 5.544 3.855 1.00 0.00 N ATOM 0 H HIS A 69 10.503 5.369 -0.784 1.00 0.00 H new ATOM 0 HA HIS A 69 11.845 3.892 1.216 1.00 0.00 H new ATOM 0 HB2 HIS A 69 9.117 3.883 -0.061 1.00 0.00 H new ATOM 0 HB3 HIS A 69 9.563 2.552 0.987 1.00 0.00 H new ATOM 0 HD2 HIS A 69 11.175 4.507 3.238 1.00 0.00 H new ATOM 0 HE1 HIS A 69 7.315 6.205 3.694 1.00 0.00 H new ATOM 0 HE2 HIS A 69 9.620 5.957 4.746 1.00 0.00 H new ATOM 1058 N PHE A 70 11.192 2.278 -1.598 1.00 0.00 N ATOM 1059 CA PHE A 70 11.552 1.103 -2.384 1.00 0.00 C ATOM 1060 C PHE A 70 13.066 0.915 -2.420 1.00 0.00 C ATOM 1061 O PHE A 70 13.574 -0.170 -2.141 1.00 0.00 O ATOM 1062 CB PHE A 70 11.009 1.230 -3.808 1.00 0.00 C ATOM 1063 CG PHE A 70 11.569 0.210 -4.757 1.00 0.00 C ATOM 1064 CD1 PHE A 70 12.782 0.427 -5.392 1.00 0.00 C ATOM 1065 CD2 PHE A 70 10.884 -0.966 -5.015 1.00 0.00 C ATOM 1066 CE1 PHE A 70 13.301 -0.510 -6.265 1.00 0.00 C ATOM 1067 CE2 PHE A 70 11.398 -1.907 -5.887 1.00 0.00 C ATOM 1068 CZ PHE A 70 12.607 -1.678 -6.514 1.00 0.00 C ATOM 0 H PHE A 70 10.544 2.914 -2.063 1.00 0.00 H new ATOM 0 HA PHE A 70 11.106 0.229 -1.909 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.923 1.135 -3.784 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.233 2.228 -4.186 1.00 0.00 H new ATOM 0 HD1 PHE A 70 13.328 1.339 -5.202 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.937 -1.150 -4.529 1.00 0.00 H new ATOM 0 HE1 PHE A 70 14.248 -0.329 -6.752 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.855 -2.821 -6.078 1.00 0.00 H new ATOM 0 HZ PHE A 70 13.009 -2.411 -7.198 1.00 0.00 H new ATOM 1078 N ASN A 71 13.780 1.981 -2.766 1.00 0.00 N ATOM 1079 CA ASN A 71 15.236 1.934 -2.840 1.00 0.00 C ATOM 1080 C ASN A 71 15.843 1.693 -1.461 1.00 0.00 C ATOM 1081 O ASN A 71 17.057 1.546 -1.325 1.00 0.00 O ATOM 1082 CB ASN A 71 15.780 3.238 -3.427 1.00 0.00 C ATOM 1083 CG ASN A 71 15.314 3.469 -4.852 1.00 0.00 C ATOM 1084 OD1 ASN A 71 15.258 2.539 -5.657 1.00 0.00 O ATOM 1085 ND2 ASN A 71 14.977 4.714 -5.170 1.00 0.00 N ATOM 0 H ASN A 71 13.375 2.887 -2.999 1.00 0.00 H new ATOM 0 HA ASN A 71 15.515 1.105 -3.491 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.463 4.074 -2.804 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.870 3.218 -3.403 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.656 4.930 -6.114 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.039 5.454 -4.470 1.00 0.00 H new ATOM 1092 N GLN A 72 14.990 1.653 -0.443 1.00 0.00 N ATOM 1093 CA GLN A 72 15.442 1.430 0.925 1.00 0.00 C ATOM 1094 C GLN A 72 15.087 0.022 1.393 1.00 0.00 C ATOM 1095 O GLN A 72 15.957 -0.742 1.812 1.00 0.00 O ATOM 1096 CB GLN A 72 14.822 2.464 1.865 1.00 0.00 C ATOM 1097 CG GLN A 72 15.040 2.156 3.338 1.00 0.00 C ATOM 1098 CD GLN A 72 16.272 2.835 3.901 1.00 0.00 C ATOM 1099 OE1 GLN A 72 17.379 2.660 3.391 1.00 0.00 O ATOM 1100 NE2 GLN A 72 16.087 3.617 4.958 1.00 0.00 N ATOM 0 H GLN A 72 13.982 1.772 -0.540 1.00 0.00 H new ATOM 0 HA GLN A 72 16.527 1.537 0.944 1.00 0.00 H new ATOM 0 HB2 GLN A 72 15.243 3.444 1.641 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.751 2.524 1.670 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.164 2.473 3.905 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.132 1.078 3.470 1.00 0.00 H new ATOM 0 HE21 GLN A 72 15.152 3.734 5.349 1.00 0.00 H new ATOM 0 HE22 GLN A 72 16.880 4.101 5.379 1.00 0.00 H new ATOM 1109 N LEU A 73 13.804 -0.314 1.318 1.00 0.00 N ATOM 1110 CA LEU A 73 13.333 -1.631 1.734 1.00 0.00 C ATOM 1111 C LEU A 73 13.817 -2.711 0.772 1.00 0.00 C ATOM 1112 O LEU A 73 13.967 -3.873 1.152 1.00 0.00 O ATOM 1113 CB LEU A 73 11.805 -1.647 1.810 1.00 0.00 C ATOM 1114 CG LEU A 73 11.161 -0.511 2.607 1.00 0.00 C ATOM 1115 CD1 LEU A 73 9.708 -0.331 2.198 1.00 0.00 C ATOM 1116 CD2 LEU A 73 11.268 -0.781 4.101 1.00 0.00 C ATOM 0 H LEU A 73 13.072 0.307 0.973 1.00 0.00 H new ATOM 0 HA LEU A 73 13.742 -1.841 2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.410 -1.621 0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.493 -2.595 2.249 1.00 0.00 H new ATOM 0 HG LEU A 73 11.696 0.413 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.266 0.481 2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.656 -0.092 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.159 -1.253 2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.805 0.037 4.653 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.758 -1.714 4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.318 -0.860 4.382 1.00 0.00 H new ATOM 1128 N PHE A 74 14.061 -2.321 -0.474 1.00 0.00 N ATOM 1129 CA PHE A 74 14.529 -3.256 -1.491 1.00 0.00 C ATOM 1130 C PHE A 74 16.054 -3.289 -1.537 1.00 0.00 C ATOM 1131 O PHE A 74 16.672 -4.323 -1.283 1.00 0.00 O ATOM 1132 CB PHE A 74 13.974 -2.870 -2.863 1.00 0.00 C ATOM 1133 CG PHE A 74 12.474 -2.906 -2.935 1.00 0.00 C ATOM 1134 CD1 PHE A 74 11.708 -2.162 -2.052 1.00 0.00 C ATOM 1135 CD2 PHE A 74 11.831 -3.683 -3.884 1.00 0.00 C ATOM 1136 CE1 PHE A 74 10.327 -2.192 -2.115 1.00 0.00 C ATOM 1137 CE2 PHE A 74 10.451 -3.717 -3.952 1.00 0.00 C ATOM 1138 CZ PHE A 74 9.698 -2.971 -3.066 1.00 0.00 C ATOM 0 H PHE A 74 13.943 -1.363 -0.805 1.00 0.00 H new ATOM 0 HA PHE A 74 14.169 -4.251 -1.229 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.318 -1.867 -3.116 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.382 -3.546 -3.614 1.00 0.00 H new ATOM 0 HD1 PHE A 74 12.195 -1.552 -1.306 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.414 -4.269 -4.579 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.741 -1.607 -1.421 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.962 -4.326 -4.697 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.620 -2.997 -3.117 1.00 0.00 H new ATOM 1148 N LYS A 75 16.655 -2.150 -1.865 1.00 0.00 N ATOM 1149 CA LYS A 75 18.107 -2.046 -1.945 1.00 0.00 C ATOM 1150 C LYS A 75 18.765 -2.644 -0.705 1.00 0.00 C ATOM 1151 O LYS A 75 19.879 -3.162 -0.771 1.00 0.00 O ATOM 1152 CB LYS A 75 18.527 -0.583 -2.103 1.00 0.00 C ATOM 1153 CG LYS A 75 19.844 -0.404 -2.837 1.00 0.00 C ATOM 1154 CD LYS A 75 19.885 0.912 -3.597 1.00 0.00 C ATOM 1155 CE LYS A 75 20.958 0.900 -4.674 1.00 0.00 C ATOM 1156 NZ LYS A 75 20.500 0.200 -5.906 1.00 0.00 N ATOM 0 H LYS A 75 16.158 -1.285 -2.080 1.00 0.00 H new ATOM 0 HA LYS A 75 18.438 -2.609 -2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 75 17.746 -0.045 -2.640 1.00 0.00 H new ATOM 0 HB3 LYS A 75 18.606 -0.128 -1.116 1.00 0.00 H new ATOM 0 HG2 LYS A 75 20.667 -0.439 -2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 75 19.990 -1.231 -3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 75 18.913 1.101 -4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 75 20.075 1.729 -2.901 1.00 0.00 H new ATOM 0 HE2 LYS A 75 21.236 1.925 -4.921 1.00 0.00 H new ATOM 0 HE3 LYS A 75 21.853 0.410 -4.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 21.260 0.214 -6.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 20.258 -0.785 -5.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 19.661 0.682 -6.288 1.00 0.00 H new ATOM 1170 N SER A 76 18.067 -2.568 0.424 1.00 0.00 N ATOM 1171 CA SER A 76 18.585 -3.100 1.679 1.00 0.00 C ATOM 1172 C SER A 76 19.433 -4.344 1.434 1.00 0.00 C ATOM 1173 O SER A 76 18.911 -5.413 1.118 1.00 0.00 O ATOM 1174 CB SER A 76 17.433 -3.433 2.630 1.00 0.00 C ATOM 1175 OG SER A 76 17.905 -3.638 3.950 1.00 0.00 O ATOM 0 H SER A 76 17.142 -2.144 0.495 1.00 0.00 H new ATOM 0 HA SER A 76 19.215 -2.337 2.136 1.00 0.00 H new ATOM 0 HB2 SER A 76 16.705 -2.622 2.623 1.00 0.00 H new ATOM 0 HB3 SER A 76 16.917 -4.328 2.282 1.00 0.00 H new ATOM 0 HG SER A 76 17.150 -3.848 4.539 1.00 0.00 H new ATOM 1181 N LYS A 77 20.745 -4.196 1.582 1.00 0.00 N ATOM 1182 CA LYS A 77 21.668 -5.306 1.378 1.00 0.00 C ATOM 1183 C LYS A 77 21.045 -6.622 1.833 1.00 0.00 C ATOM 1184 O LYS A 77 20.418 -6.691 2.889 1.00 0.00 O ATOM 1185 CB LYS A 77 22.973 -5.058 2.138 1.00 0.00 C ATOM 1186 CG LYS A 77 24.031 -4.346 1.313 1.00 0.00 C ATOM 1187 CD LYS A 77 24.640 -5.270 0.272 1.00 0.00 C ATOM 1188 CE LYS A 77 25.641 -6.231 0.895 1.00 0.00 C ATOM 1189 NZ LYS A 77 26.828 -5.518 1.442 1.00 0.00 N ATOM 0 H LYS A 77 21.193 -3.318 1.843 1.00 0.00 H new ATOM 0 HA LYS A 77 21.883 -5.375 0.312 1.00 0.00 H new ATOM 0 HB2 LYS A 77 22.759 -4.466 3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 77 23.372 -6.013 2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 77 23.588 -3.481 0.819 1.00 0.00 H new ATOM 0 HG3 LYS A 77 24.815 -3.970 1.971 1.00 0.00 H new ATOM 0 HD2 LYS A 77 23.849 -5.836 -0.220 1.00 0.00 H new ATOM 0 HD3 LYS A 77 25.134 -4.677 -0.497 1.00 0.00 H new ATOM 0 HE2 LYS A 77 25.156 -6.794 1.693 1.00 0.00 H new ATOM 0 HE3 LYS A 77 25.965 -6.954 0.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 27.628 -6.179 1.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 27.083 -4.732 0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 26.604 -5.144 2.386 1.00 0.00 H new ATOM 1203 N GLY A 78 21.224 -7.666 1.029 1.00 0.00 N ATOM 1204 CA GLY A 78 20.675 -8.966 1.367 1.00 0.00 C ATOM 1205 C GLY A 78 20.852 -9.978 0.252 1.00 0.00 C ATOM 1206 O GLY A 78 21.709 -10.856 0.333 1.00 0.00 O ATOM 0 H GLY A 78 21.740 -7.634 0.149 1.00 0.00 H new ATOM 0 HA2 GLY A 78 21.158 -9.337 2.271 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.614 -8.861 1.593 1.00 0.00 H new ATOM 1210 N ASN A 79 20.037 -9.856 -0.790 1.00 0.00 N ATOM 1211 CA ASN A 79 20.106 -10.769 -1.925 1.00 0.00 C ATOM 1212 C ASN A 79 19.154 -10.331 -3.035 1.00 0.00 C ATOM 1213 O ASN A 79 17.934 -10.399 -2.883 1.00 0.00 O ATOM 1214 CB ASN A 79 19.768 -12.193 -1.482 1.00 0.00 C ATOM 1215 CG ASN A 79 19.809 -13.182 -2.631 1.00 0.00 C ATOM 1216 OD1 ASN A 79 19.234 -12.941 -3.693 1.00 0.00 O ATOM 1217 ND2 ASN A 79 20.490 -14.303 -2.423 1.00 0.00 N ATOM 0 H ASN A 79 19.321 -9.134 -0.872 1.00 0.00 H new ATOM 0 HA ASN A 79 21.124 -10.748 -2.314 1.00 0.00 H new ATOM 0 HB2 ASN A 79 20.471 -12.507 -0.711 1.00 0.00 H new ATOM 0 HB3 ASN A 79 18.775 -12.204 -1.032 1.00 0.00 H new ATOM 0 HD21 ASN A 79 20.552 -15.006 -3.159 1.00 0.00 H new ATOM 0 HD22 ASN A 79 20.951 -14.461 -1.527 1.00 0.00 H new ATOM 1224 N TYR A 80 19.720 -9.882 -4.149 1.00 0.00 N ATOM 1225 CA TYR A 80 18.923 -9.431 -5.284 1.00 0.00 C ATOM 1226 C TYR A 80 19.789 -9.269 -6.529 1.00 0.00 C ATOM 1227 O TYR A 80 21.018 -9.278 -6.449 1.00 0.00 O ATOM 1228 CB TYR A 80 18.231 -8.107 -4.954 1.00 0.00 C ATOM 1229 CG TYR A 80 17.011 -8.264 -4.075 1.00 0.00 C ATOM 1230 CD1 TYR A 80 15.837 -8.813 -4.575 1.00 0.00 C ATOM 1231 CD2 TYR A 80 17.031 -7.861 -2.745 1.00 0.00 C ATOM 1232 CE1 TYR A 80 14.719 -8.958 -3.776 1.00 0.00 C ATOM 1233 CE2 TYR A 80 15.919 -8.003 -1.939 1.00 0.00 C ATOM 1234 CZ TYR A 80 14.765 -8.552 -2.459 1.00 0.00 C ATOM 1235 OH TYR A 80 13.654 -8.694 -1.659 1.00 0.00 O ATOM 0 H TYR A 80 20.728 -9.820 -4.291 1.00 0.00 H new ATOM 0 HA TYR A 80 18.166 -10.188 -5.487 1.00 0.00 H new ATOM 0 HB2 TYR A 80 18.944 -7.448 -4.458 1.00 0.00 H new ATOM 0 HB3 TYR A 80 17.938 -7.618 -5.883 1.00 0.00 H new ATOM 0 HD1 TYR A 80 15.797 -9.132 -5.606 1.00 0.00 H new ATOM 0 HD2 TYR A 80 17.932 -7.429 -2.335 1.00 0.00 H new ATOM 0 HE1 TYR A 80 13.814 -9.387 -4.181 1.00 0.00 H new ATOM 0 HE2 TYR A 80 15.952 -7.686 -0.907 1.00 0.00 H new ATOM 0 HH TYR A 80 13.854 -8.360 -0.759 1.00 0.00 H new ATOM 1245 N ASP A 81 19.140 -9.120 -7.678 1.00 0.00 N ATOM 1246 CA ASP A 81 19.849 -8.954 -8.941 1.00 0.00 C ATOM 1247 C ASP A 81 19.485 -7.626 -9.598 1.00 0.00 C ATOM 1248 O ASP A 81 18.309 -7.281 -9.710 1.00 0.00 O ATOM 1249 CB ASP A 81 19.527 -10.111 -9.888 1.00 0.00 C ATOM 1250 CG ASP A 81 20.440 -11.303 -9.676 1.00 0.00 C ATOM 1251 OD1 ASP A 81 21.670 -11.102 -9.595 1.00 0.00 O ATOM 1252 OD2 ASP A 81 19.924 -12.437 -9.591 1.00 0.00 O ATOM 0 H ASP A 81 18.123 -9.111 -7.761 1.00 0.00 H new ATOM 0 HA ASP A 81 20.919 -8.954 -8.731 1.00 0.00 H new ATOM 0 HB2 ASP A 81 18.492 -10.419 -9.742 1.00 0.00 H new ATOM 0 HB3 ASP A 81 19.615 -9.768 -10.919 1.00 0.00 H new ATOM 1257 N GLU A 82 20.502 -6.886 -10.030 1.00 0.00 N ATOM 1258 CA GLU A 82 20.288 -5.596 -10.674 1.00 0.00 C ATOM 1259 C GLU A 82 21.067 -5.505 -11.983 1.00 0.00 C ATOM 1260 O GLU A 82 21.618 -4.457 -12.318 1.00 0.00 O ATOM 1261 CB GLU A 82 20.705 -4.459 -9.739 1.00 0.00 C ATOM 1262 CG GLU A 82 19.905 -4.407 -8.448 1.00 0.00 C ATOM 1263 CD GLU A 82 20.415 -5.383 -7.406 1.00 0.00 C ATOM 1264 OE1 GLU A 82 21.645 -5.589 -7.339 1.00 0.00 O ATOM 1265 OE2 GLU A 82 19.585 -5.940 -6.658 1.00 0.00 O ATOM 0 H GLU A 82 21.481 -7.158 -9.945 1.00 0.00 H new ATOM 0 HA GLU A 82 19.225 -5.502 -10.897 1.00 0.00 H new ATOM 0 HB2 GLU A 82 21.762 -4.568 -9.497 1.00 0.00 H new ATOM 0 HB3 GLU A 82 20.594 -3.510 -10.263 1.00 0.00 H new ATOM 0 HG2 GLU A 82 19.942 -3.396 -8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 82 18.859 -4.625 -8.664 1.00 0.00 H new ATOM 1272 N GLY A 83 21.108 -6.611 -12.718 1.00 0.00 N ATOM 1273 CA GLY A 83 21.822 -6.637 -13.982 1.00 0.00 C ATOM 1274 C GLY A 83 23.326 -6.655 -13.797 1.00 0.00 C ATOM 1275 O GLY A 83 23.992 -7.626 -14.158 1.00 0.00 O ATOM 0 H GLY A 83 20.660 -7.490 -12.461 1.00 0.00 H new ATOM 0 HA2 GLY A 83 21.518 -7.517 -14.550 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.542 -5.764 -14.572 1.00 0.00 H new ATOM 1279 N PHE A 84 23.865 -5.578 -13.234 1.00 0.00 N ATOM 1280 CA PHE A 84 25.301 -5.473 -13.004 1.00 0.00 C ATOM 1281 C PHE A 84 25.757 -6.472 -11.945 1.00 0.00 C ATOM 1282 O PHE A 84 24.945 -7.191 -11.364 1.00 0.00 O ATOM 1283 CB PHE A 84 25.667 -4.052 -12.572 1.00 0.00 C ATOM 1284 CG PHE A 84 25.170 -2.992 -13.514 1.00 0.00 C ATOM 1285 CD1 PHE A 84 25.488 -3.039 -14.861 1.00 0.00 C ATOM 1286 CD2 PHE A 84 24.384 -1.949 -13.051 1.00 0.00 C ATOM 1287 CE1 PHE A 84 25.032 -2.065 -15.729 1.00 0.00 C ATOM 1288 CE2 PHE A 84 23.925 -0.972 -13.914 1.00 0.00 C ATOM 1289 CZ PHE A 84 24.249 -1.031 -15.256 1.00 0.00 C ATOM 0 H PHE A 84 23.329 -4.766 -12.929 1.00 0.00 H new ATOM 0 HA PHE A 84 25.811 -5.704 -13.939 1.00 0.00 H new ATOM 0 HB2 PHE A 84 25.257 -3.866 -11.579 1.00 0.00 H new ATOM 0 HB3 PHE A 84 26.751 -3.974 -12.489 1.00 0.00 H new ATOM 0 HD1 PHE A 84 26.099 -3.846 -15.237 1.00 0.00 H new ATOM 0 HD2 PHE A 84 24.127 -1.899 -12.003 1.00 0.00 H new ATOM 0 HE1 PHE A 84 25.288 -2.113 -16.777 1.00 0.00 H new ATOM 0 HE2 PHE A 84 23.314 -0.164 -13.540 1.00 0.00 H new ATOM 0 HZ PHE A 84 23.891 -0.270 -15.933 1.00 0.00 H new ATOM 1299 N GLY A 85 27.063 -6.510 -11.699 1.00 0.00 N ATOM 1300 CA GLY A 85 27.606 -7.424 -10.711 1.00 0.00 C ATOM 1301 C GLY A 85 28.335 -6.705 -9.594 1.00 0.00 C ATOM 1302 O GLY A 85 27.924 -6.766 -8.436 1.00 0.00 O ATOM 0 H GLY A 85 27.755 -5.924 -12.166 1.00 0.00 H new ATOM 0 HA2 GLY A 85 26.797 -8.019 -10.288 1.00 0.00 H new ATOM 0 HA3 GLY A 85 28.290 -8.118 -11.200 1.00 0.00 H new ATOM 1306 N SER A 86 29.421 -6.022 -9.942 1.00 0.00 N ATOM 1307 CA SER A 86 30.212 -5.292 -8.958 1.00 0.00 C ATOM 1308 C SER A 86 30.264 -3.806 -9.298 1.00 0.00 C ATOM 1309 O SER A 86 30.099 -3.415 -10.453 1.00 0.00 O ATOM 1310 CB SER A 86 31.631 -5.861 -8.891 1.00 0.00 C ATOM 1311 OG SER A 86 32.384 -5.232 -7.868 1.00 0.00 O ATOM 0 H SER A 86 29.773 -5.959 -10.897 1.00 0.00 H new ATOM 0 HA SER A 86 29.735 -5.408 -7.985 1.00 0.00 H new ATOM 0 HB2 SER A 86 31.588 -6.935 -8.707 1.00 0.00 H new ATOM 0 HB3 SER A 86 32.128 -5.722 -9.851 1.00 0.00 H new ATOM 0 HG SER A 86 33.286 -5.614 -7.844 1.00 0.00 H new ATOM 1317 N GLY A 87 30.493 -2.980 -8.281 1.00 0.00 N ATOM 1318 CA GLY A 87 30.562 -1.546 -8.491 1.00 0.00 C ATOM 1319 C GLY A 87 31.456 -0.855 -7.480 1.00 0.00 C ATOM 1320 O GLY A 87 31.225 -0.914 -6.272 1.00 0.00 O ATOM 0 H GLY A 87 30.632 -3.279 -7.316 1.00 0.00 H new ATOM 0 HA2 GLY A 87 30.933 -1.346 -9.496 1.00 0.00 H new ATOM 0 HA3 GLY A 87 29.559 -1.124 -8.432 1.00 0.00 H new ATOM 1324 N PRO A 88 32.505 -0.181 -7.975 1.00 0.00 N ATOM 1325 CA PRO A 88 33.458 0.536 -7.123 1.00 0.00 C ATOM 1326 C PRO A 88 32.843 1.774 -6.479 1.00 0.00 C ATOM 1327 O PRO A 88 31.652 2.041 -6.639 1.00 0.00 O ATOM 1328 CB PRO A 88 34.571 0.937 -8.095 1.00 0.00 C ATOM 1329 CG PRO A 88 33.908 0.992 -9.428 1.00 0.00 C ATOM 1330 CD PRO A 88 32.841 -0.068 -9.404 1.00 0.00 C ATOM 0 HA PRO A 88 33.801 -0.077 -6.290 1.00 0.00 H new ATOM 0 HB2 PRO A 88 35.002 1.902 -7.827 1.00 0.00 H new ATOM 0 HB3 PRO A 88 35.384 0.211 -8.087 1.00 0.00 H new ATOM 0 HG2 PRO A 88 33.476 1.976 -9.609 1.00 0.00 H new ATOM 0 HG3 PRO A 88 34.625 0.806 -10.228 1.00 0.00 H new ATOM 0 HD2 PRO A 88 31.974 0.220 -9.999 1.00 0.00 H new ATOM 0 HD3 PRO A 88 33.204 -1.013 -9.807 1.00 0.00 H new ATOM 1338 N SER A 89 33.662 2.526 -5.752 1.00 0.00 N ATOM 1339 CA SER A 89 33.197 3.734 -5.080 1.00 0.00 C ATOM 1340 C SER A 89 34.370 4.639 -4.714 1.00 0.00 C ATOM 1341 O SER A 89 35.498 4.174 -4.551 1.00 0.00 O ATOM 1342 CB SER A 89 32.406 3.372 -3.822 1.00 0.00 C ATOM 1343 OG SER A 89 31.694 4.493 -3.327 1.00 0.00 O ATOM 0 H SER A 89 34.651 2.320 -5.613 1.00 0.00 H new ATOM 0 HA SER A 89 32.545 4.273 -5.767 1.00 0.00 H new ATOM 0 HB2 SER A 89 31.709 2.565 -4.047 1.00 0.00 H new ATOM 0 HB3 SER A 89 33.086 3.002 -3.055 1.00 0.00 H new ATOM 0 HG SER A 89 31.195 4.235 -2.524 1.00 0.00 H new ATOM 1349 N SER A 90 34.094 5.933 -4.587 1.00 0.00 N ATOM 1350 CA SER A 90 35.127 6.904 -4.244 1.00 0.00 C ATOM 1351 C SER A 90 34.504 8.232 -3.822 1.00 0.00 C ATOM 1352 O SER A 90 33.662 8.787 -4.526 1.00 0.00 O ATOM 1353 CB SER A 90 36.065 7.123 -5.432 1.00 0.00 C ATOM 1354 OG SER A 90 37.086 6.140 -5.463 1.00 0.00 O ATOM 0 H SER A 90 33.165 6.333 -4.716 1.00 0.00 H new ATOM 0 HA SER A 90 35.700 6.508 -3.406 1.00 0.00 H new ATOM 0 HB2 SER A 90 35.495 7.089 -6.361 1.00 0.00 H new ATOM 0 HB3 SER A 90 36.512 8.115 -5.368 1.00 0.00 H new ATOM 0 HG SER A 90 36.748 5.305 -5.078 1.00 0.00 H new ATOM 1360 N GLY A 91 34.927 8.735 -2.666 1.00 0.00 N ATOM 1361 CA GLY A 91 34.401 9.993 -2.168 1.00 0.00 C ATOM 1362 C GLY A 91 35.302 10.626 -1.127 1.00 0.00 C ATOM 1363 O GLY A 91 36.465 10.237 -1.024 1.00 0.00 O ATOM 0 H GLY A 91 35.624 8.294 -2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 91 34.272 10.684 -3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 91 33.414 9.825 -1.736 1.00 0.00 H new TER 1367 GLY A 91 HETATM 1368 ZN ZN A 201 -9.582 2.757 -5.354 1.00 0.00 ZN HETATM 1369 ZN ZN A 401 6.907 5.478 0.594 1.00 0.00 ZN