USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=24 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 34 ASN : amide:sc= -0.21 K(o=-0.33,f=-2.5!) USER MOD Set 1.2: A 59 SER OG : rot 170:sc= -0.123 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.102 (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 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.852 K(o=-0.85,f=-3!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 23 LYS NZ :NH3+ -172:sc=-0.00869 (180deg=-0.0912) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 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= -0.0671 K(o=-0.067,f=-1) USER MOD Single : A 36 GLN : amide:sc= -1.54 K(o=-1.5,f=-2.3!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 150:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0315 X(o=-0.031,f=0) USER MOD Single : A 50 ASN : amide:sc= 0.173 K(o=0.17,f=-0.58) USER MOD Single : A 51 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0173) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -44:sc= 1.13 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.928 X(o=-0.93,f=-1.2) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -128:sc= 0.00453 (180deg=-1.24!) USER MOD Single : A 71 ASN : amide:sc= -0.263 K(o=-0.26,f=-2.2!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc=-0.00452 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.576 X(o=-0.58,f=-0.36) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 3:sc= 0.98 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 12:sc= 0.34 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.406 -21.414 -14.674 1.00 0.00 N ATOM 2 CA GLY A 1 -22.324 -20.928 -13.660 1.00 0.00 C ATOM 3 C GLY A 1 -23.624 -21.708 -13.635 1.00 0.00 C ATOM 4 O GLY A 1 -23.844 -22.588 -14.466 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.552 -21.793 -14.217 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.865 -22.166 -15.226 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.142 -20.632 -15.307 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.847 -20.991 -12.682 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.539 -19.875 -13.843 1.00 0.00 H new ATOM 8 N SER A 2 -24.488 -21.384 -12.678 1.00 0.00 N ATOM 9 CA SER A 2 -25.771 -22.064 -12.544 1.00 0.00 C ATOM 10 C SER A 2 -26.747 -21.599 -13.620 1.00 0.00 C ATOM 11 O SER A 2 -26.578 -20.530 -14.207 1.00 0.00 O ATOM 12 CB SER A 2 -26.364 -21.811 -11.157 1.00 0.00 C ATOM 13 OG SER A 2 -26.691 -20.443 -10.984 1.00 0.00 O ATOM 0 H SER A 2 -24.323 -20.655 -11.984 1.00 0.00 H new ATOM 0 HA SER A 2 -25.602 -23.134 -12.669 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.257 -22.421 -11.023 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.651 -22.117 -10.392 1.00 0.00 H new ATOM 0 HG SER A 2 -27.070 -20.308 -10.090 1.00 0.00 H new ATOM 19 N SER A 3 -27.770 -22.409 -13.872 1.00 0.00 N ATOM 20 CA SER A 3 -28.773 -22.083 -14.880 1.00 0.00 C ATOM 21 C SER A 3 -29.388 -20.714 -14.611 1.00 0.00 C ATOM 22 O SER A 3 -29.561 -20.313 -13.461 1.00 0.00 O ATOM 23 CB SER A 3 -29.868 -23.151 -14.904 1.00 0.00 C ATOM 24 OG SER A 3 -30.615 -23.089 -16.107 1.00 0.00 O ATOM 0 H SER A 3 -27.927 -23.296 -13.392 1.00 0.00 H new ATOM 0 HA SER A 3 -28.280 -22.056 -15.852 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.419 -24.139 -14.802 1.00 0.00 H new ATOM 0 HB3 SER A 3 -30.533 -23.013 -14.052 1.00 0.00 H new ATOM 0 HG SER A 3 -31.307 -23.783 -16.098 1.00 0.00 H new ATOM 30 N GLY A 4 -29.717 -19.999 -15.683 1.00 0.00 N ATOM 31 CA GLY A 4 -30.309 -18.681 -15.543 1.00 0.00 C ATOM 32 C GLY A 4 -29.401 -17.712 -14.814 1.00 0.00 C ATOM 33 O GLY A 4 -29.072 -17.917 -13.645 1.00 0.00 O ATOM 0 H GLY A 4 -29.584 -20.309 -16.646 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -30.541 -18.283 -16.531 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -31.253 -18.765 -15.004 1.00 0.00 H new ATOM 37 N SER A 5 -28.992 -16.652 -15.505 1.00 0.00 N ATOM 38 CA SER A 5 -28.111 -15.650 -14.917 1.00 0.00 C ATOM 39 C SER A 5 -28.554 -14.242 -15.306 1.00 0.00 C ATOM 40 O SER A 5 -29.443 -14.067 -16.139 1.00 0.00 O ATOM 41 CB SER A 5 -26.667 -15.884 -15.365 1.00 0.00 C ATOM 42 OG SER A 5 -26.258 -17.213 -15.092 1.00 0.00 O ATOM 0 H SER A 5 -29.257 -16.465 -16.472 1.00 0.00 H new ATOM 0 HA SER A 5 -28.167 -15.744 -13.833 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.577 -15.685 -16.433 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.006 -15.184 -14.853 1.00 0.00 H new ATOM 0 HG SER A 5 -25.332 -17.338 -15.389 1.00 0.00 H new ATOM 48 N SER A 6 -27.926 -13.242 -14.696 1.00 0.00 N ATOM 49 CA SER A 6 -28.258 -11.849 -14.974 1.00 0.00 C ATOM 50 C SER A 6 -27.040 -11.096 -15.502 1.00 0.00 C ATOM 51 O SER A 6 -25.945 -11.200 -14.950 1.00 0.00 O ATOM 52 CB SER A 6 -28.786 -11.166 -13.711 1.00 0.00 C ATOM 53 OG SER A 6 -29.145 -9.821 -13.972 1.00 0.00 O ATOM 0 H SER A 6 -27.185 -13.370 -14.007 1.00 0.00 H new ATOM 0 HA SER A 6 -29.035 -11.832 -15.739 1.00 0.00 H new ATOM 0 HB2 SER A 6 -29.652 -11.710 -13.334 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.025 -11.198 -12.931 1.00 0.00 H new ATOM 0 HG SER A 6 -29.481 -9.407 -13.150 1.00 0.00 H new ATOM 59 N GLY A 7 -27.240 -10.338 -16.575 1.00 0.00 N ATOM 60 CA GLY A 7 -26.151 -9.578 -17.160 1.00 0.00 C ATOM 61 C GLY A 7 -26.377 -9.277 -18.629 1.00 0.00 C ATOM 62 O GLY A 7 -26.298 -10.171 -19.471 1.00 0.00 O ATOM 0 H GLY A 7 -28.137 -10.236 -17.050 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -26.031 -8.642 -16.615 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.221 -10.135 -17.045 1.00 0.00 H new ATOM 66 N MET A 8 -26.661 -8.016 -18.936 1.00 0.00 N ATOM 67 CA MET A 8 -26.900 -7.600 -20.313 1.00 0.00 C ATOM 68 C MET A 8 -25.834 -6.611 -20.775 1.00 0.00 C ATOM 69 O MET A 8 -25.460 -6.588 -21.947 1.00 0.00 O ATOM 70 CB MET A 8 -28.288 -6.970 -20.444 1.00 0.00 C ATOM 71 CG MET A 8 -28.479 -5.733 -19.582 1.00 0.00 C ATOM 72 SD MET A 8 -28.904 -6.135 -17.876 1.00 0.00 S ATOM 73 CE MET A 8 -30.332 -5.082 -17.627 1.00 0.00 C ATOM 0 H MET A 8 -26.731 -7.264 -18.250 1.00 0.00 H new ATOM 0 HA MET A 8 -26.849 -8.485 -20.948 1.00 0.00 H new ATOM 0 HB2 MET A 8 -28.461 -6.706 -21.487 1.00 0.00 H new ATOM 0 HB3 MET A 8 -29.041 -7.711 -20.174 1.00 0.00 H new ATOM 0 HG2 MET A 8 -27.564 -5.141 -19.595 1.00 0.00 H new ATOM 0 HG3 MET A 8 -29.266 -5.113 -20.012 1.00 0.00 H new ATOM 0 HE1 MET A 8 -30.712 -5.217 -16.614 1.00 0.00 H new ATOM 0 HE2 MET A 8 -30.045 -4.040 -17.771 1.00 0.00 H new ATOM 0 HE3 MET A 8 -31.109 -5.347 -18.344 1.00 0.00 H new ATOM 83 N LYS A 9 -25.350 -5.793 -19.846 1.00 0.00 N ATOM 84 CA LYS A 9 -24.326 -4.802 -20.157 1.00 0.00 C ATOM 85 C LYS A 9 -23.166 -5.438 -20.916 1.00 0.00 C ATOM 86 O LYS A 9 -22.736 -6.547 -20.597 1.00 0.00 O ATOM 87 CB LYS A 9 -23.813 -4.149 -18.872 1.00 0.00 C ATOM 88 CG LYS A 9 -23.323 -2.725 -19.068 1.00 0.00 C ATOM 89 CD LYS A 9 -24.436 -1.716 -18.841 1.00 0.00 C ATOM 90 CE LYS A 9 -25.403 -1.680 -20.014 1.00 0.00 C ATOM 91 NZ LYS A 9 -26.374 -0.557 -19.899 1.00 0.00 N ATOM 0 H LYS A 9 -25.651 -5.797 -18.871 1.00 0.00 H new ATOM 0 HA LYS A 9 -24.775 -4.038 -20.791 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -24.611 -4.151 -18.130 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -23.000 -4.752 -18.467 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -22.502 -2.524 -18.380 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -22.928 -2.611 -20.077 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -24.977 -1.969 -17.929 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -24.006 -0.726 -18.692 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -24.842 -1.581 -20.944 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -25.945 -2.624 -20.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -27.015 -0.567 -20.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -26.927 -0.664 -19.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -25.859 0.346 -19.874 1.00 0.00 H new ATOM 105 N PHE A 10 -22.661 -4.728 -21.919 1.00 0.00 N ATOM 106 CA PHE A 10 -21.550 -5.223 -22.723 1.00 0.00 C ATOM 107 C PHE A 10 -20.216 -4.954 -22.031 1.00 0.00 C ATOM 108 O PHE A 10 -19.591 -3.917 -22.249 1.00 0.00 O ATOM 109 CB PHE A 10 -21.561 -4.568 -24.106 1.00 0.00 C ATOM 110 CG PHE A 10 -22.629 -5.105 -25.015 1.00 0.00 C ATOM 111 CD1 PHE A 10 -22.592 -6.420 -25.448 1.00 0.00 C ATOM 112 CD2 PHE A 10 -23.671 -4.293 -25.436 1.00 0.00 C ATOM 113 CE1 PHE A 10 -23.574 -6.917 -26.284 1.00 0.00 C ATOM 114 CE2 PHE A 10 -24.656 -4.785 -26.271 1.00 0.00 C ATOM 115 CZ PHE A 10 -24.607 -6.098 -26.697 1.00 0.00 C ATOM 0 H PHE A 10 -23.004 -3.808 -22.195 1.00 0.00 H new ATOM 0 HA PHE A 10 -21.669 -6.300 -22.838 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -21.701 -3.493 -23.989 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -20.588 -4.713 -24.576 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -21.786 -7.065 -25.129 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -23.713 -3.265 -25.108 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -23.534 -7.945 -26.614 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -25.464 -4.143 -26.590 1.00 0.00 H new ATOM 0 HZ PHE A 10 -25.375 -6.484 -27.352 1.00 0.00 H new ATOM 125 N GLN A 11 -19.789 -5.896 -21.197 1.00 0.00 N ATOM 126 CA GLN A 11 -18.531 -5.760 -20.472 1.00 0.00 C ATOM 127 C GLN A 11 -17.909 -7.126 -20.200 1.00 0.00 C ATOM 128 O GLN A 11 -18.579 -8.154 -20.296 1.00 0.00 O ATOM 129 CB GLN A 11 -18.755 -5.017 -19.154 1.00 0.00 C ATOM 130 CG GLN A 11 -17.466 -4.617 -18.454 1.00 0.00 C ATOM 131 CD GLN A 11 -16.614 -3.683 -19.290 1.00 0.00 C ATOM 132 OE1 GLN A 11 -17.039 -3.215 -20.347 1.00 0.00 O ATOM 133 NE2 GLN A 11 -15.404 -3.405 -18.819 1.00 0.00 N ATOM 0 H GLN A 11 -20.295 -6.761 -21.006 1.00 0.00 H new ATOM 0 HA GLN A 11 -17.844 -5.185 -21.093 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -19.347 -4.122 -19.347 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -19.341 -5.648 -18.486 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -17.706 -4.134 -17.507 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -16.892 -5.513 -18.218 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -15.093 -3.815 -17.939 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -14.786 -2.781 -19.338 1.00 0.00 H new ATOM 142 N ALA A 12 -16.624 -7.129 -19.861 1.00 0.00 N ATOM 143 CA ALA A 12 -15.913 -8.368 -19.574 1.00 0.00 C ATOM 144 C ALA A 12 -16.746 -9.287 -18.687 1.00 0.00 C ATOM 145 O ALA A 12 -17.789 -8.901 -18.159 1.00 0.00 O ATOM 146 CB ALA A 12 -14.574 -8.068 -18.915 1.00 0.00 C ATOM 0 H ALA A 12 -16.054 -6.287 -19.778 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.734 -8.882 -20.519 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -14.054 -9.003 -18.706 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.968 -7.457 -19.584 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -14.740 -7.529 -17.982 1.00 0.00 H new ATOM 152 N PRO A 13 -16.278 -10.533 -18.520 1.00 0.00 N ATOM 153 CA PRO A 13 -16.966 -11.533 -17.697 1.00 0.00 C ATOM 154 C PRO A 13 -16.902 -11.204 -16.210 1.00 0.00 C ATOM 155 O PRO A 13 -17.322 -11.999 -15.370 1.00 0.00 O ATOM 156 CB PRO A 13 -16.199 -12.824 -17.993 1.00 0.00 C ATOM 157 CG PRO A 13 -14.842 -12.371 -18.409 1.00 0.00 C ATOM 158 CD PRO A 13 -15.042 -11.061 -19.120 1.00 0.00 C ATOM 0 HA PRO A 13 -18.029 -11.590 -17.929 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -16.150 -13.466 -17.113 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -16.683 -13.400 -18.781 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -14.189 -12.250 -17.545 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -14.370 -13.103 -19.065 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -14.200 -10.387 -18.964 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -15.145 -11.199 -20.196 1.00 0.00 H new ATOM 166 N ALA A 14 -16.373 -10.027 -15.891 1.00 0.00 N ATOM 167 CA ALA A 14 -16.256 -9.592 -14.505 1.00 0.00 C ATOM 168 C ALA A 14 -15.710 -8.170 -14.420 1.00 0.00 C ATOM 169 O ALA A 14 -14.519 -7.940 -14.627 1.00 0.00 O ATOM 170 CB ALA A 14 -15.367 -10.548 -13.725 1.00 0.00 C ATOM 0 H ALA A 14 -16.019 -9.358 -16.574 1.00 0.00 H new ATOM 0 HA ALA A 14 -17.252 -9.598 -14.063 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.289 -10.211 -12.691 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -15.800 -11.548 -13.748 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.375 -10.571 -14.175 1.00 0.00 H new ATOM 176 N ARG A 15 -16.589 -7.221 -14.115 1.00 0.00 N ATOM 177 CA ARG A 15 -16.195 -5.822 -14.004 1.00 0.00 C ATOM 178 C ARG A 15 -14.858 -5.689 -13.281 1.00 0.00 C ATOM 179 O ARG A 15 -14.470 -6.565 -12.508 1.00 0.00 O ATOM 180 CB ARG A 15 -17.269 -5.025 -13.262 1.00 0.00 C ATOM 181 CG ARG A 15 -17.139 -5.088 -11.749 1.00 0.00 C ATOM 182 CD ARG A 15 -17.778 -6.348 -11.187 1.00 0.00 C ATOM 183 NE ARG A 15 -16.891 -7.504 -11.291 1.00 0.00 N ATOM 184 CZ ARG A 15 -16.950 -8.551 -10.475 1.00 0.00 C ATOM 185 NH1 ARG A 15 -17.849 -8.587 -9.502 1.00 0.00 N ATOM 186 NH2 ARG A 15 -16.109 -9.565 -10.634 1.00 0.00 N ATOM 0 H ARG A 15 -17.579 -7.396 -13.940 1.00 0.00 H new ATOM 0 HA ARG A 15 -16.085 -5.421 -15.012 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.220 -3.983 -13.579 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -18.251 -5.400 -13.550 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -16.085 -5.058 -11.472 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -17.610 -4.211 -11.305 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -18.041 -6.186 -10.142 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.706 -6.553 -11.721 1.00 0.00 H new ATOM 0 HE ARG A 15 -16.188 -7.508 -12.030 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -18.498 -7.810 -9.378 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -17.892 -9.392 -8.877 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -15.417 -9.541 -11.383 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -16.155 -10.369 -10.007 1.00 0.00 H new ATOM 200 N GLU A 16 -14.158 -4.589 -13.539 1.00 0.00 N ATOM 201 CA GLU A 16 -12.864 -4.344 -12.914 1.00 0.00 C ATOM 202 C GLU A 16 -13.037 -3.742 -11.522 1.00 0.00 C ATOM 203 O GLU A 16 -13.908 -2.900 -11.301 1.00 0.00 O ATOM 204 CB GLU A 16 -12.021 -3.409 -13.784 1.00 0.00 C ATOM 205 CG GLU A 16 -11.600 -4.024 -15.108 1.00 0.00 C ATOM 206 CD GLU A 16 -11.121 -2.988 -16.106 1.00 0.00 C ATOM 207 OE1 GLU A 16 -11.789 -1.942 -16.244 1.00 0.00 O ATOM 208 OE2 GLU A 16 -10.078 -3.224 -16.750 1.00 0.00 O ATOM 0 H GLU A 16 -14.465 -3.854 -14.176 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.350 -5.300 -12.817 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.588 -2.499 -13.980 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.130 -3.116 -13.229 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.805 -4.748 -14.931 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.441 -4.572 -15.534 1.00 0.00 H new ATOM 215 N THR A 17 -12.202 -4.181 -10.585 1.00 0.00 N ATOM 216 CA THR A 17 -12.263 -3.689 -9.215 1.00 0.00 C ATOM 217 C THR A 17 -10.900 -3.193 -8.748 1.00 0.00 C ATOM 218 O THR A 17 -9.863 -3.698 -9.179 1.00 0.00 O ATOM 219 CB THR A 17 -12.760 -4.780 -8.248 1.00 0.00 C ATOM 220 OG1 THR A 17 -13.635 -5.682 -8.934 1.00 0.00 O ATOM 221 CG2 THR A 17 -13.486 -4.163 -7.062 1.00 0.00 C ATOM 0 H THR A 17 -11.475 -4.877 -10.751 1.00 0.00 H new ATOM 0 HA THR A 17 -12.970 -2.859 -9.208 1.00 0.00 H new ATOM 0 HB THR A 17 -11.893 -5.328 -7.878 1.00 0.00 H new ATOM 0 HG1 THR A 17 -13.945 -6.373 -8.312 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.828 -4.953 -6.393 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.807 -3.501 -6.524 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.344 -3.592 -7.417 1.00 0.00 H new ATOM 229 N CYS A 18 -10.907 -2.203 -7.862 1.00 0.00 N ATOM 230 CA CYS A 18 -9.671 -1.638 -7.335 1.00 0.00 C ATOM 231 C CYS A 18 -9.041 -2.573 -6.306 1.00 0.00 C ATOM 232 O CYS A 18 -9.731 -3.124 -5.448 1.00 0.00 O ATOM 233 CB CYS A 18 -9.939 -0.272 -6.701 1.00 0.00 C ATOM 234 SG CYS A 18 -8.443 0.576 -6.100 1.00 0.00 S ATOM 0 H CYS A 18 -11.756 -1.775 -7.494 1.00 0.00 H new ATOM 0 HA CYS A 18 -8.975 -1.516 -8.165 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -10.435 0.365 -7.433 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -10.631 -0.399 -5.868 1.00 0.00 H new ATOM 239 N VAL A 19 -7.727 -2.747 -6.399 1.00 0.00 N ATOM 240 CA VAL A 19 -7.003 -3.613 -5.476 1.00 0.00 C ATOM 241 C VAL A 19 -6.498 -2.831 -4.269 1.00 0.00 C ATOM 242 O VAL A 19 -5.594 -3.277 -3.563 1.00 0.00 O ATOM 243 CB VAL A 19 -5.808 -4.296 -6.168 1.00 0.00 C ATOM 244 CG1 VAL A 19 -6.288 -5.194 -7.299 1.00 0.00 C ATOM 245 CG2 VAL A 19 -4.825 -3.256 -6.682 1.00 0.00 C ATOM 0 H VAL A 19 -7.142 -2.300 -7.104 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.705 -4.377 -5.142 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.293 -4.918 -5.436 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.430 -5.668 -7.776 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.950 -5.961 -6.898 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.828 -4.597 -8.034 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.987 -3.756 -7.168 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.325 -2.606 -7.400 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.457 -2.659 -5.847 1.00 0.00 H new ATOM 255 N GLU A 20 -7.088 -1.662 -4.039 1.00 0.00 N ATOM 256 CA GLU A 20 -6.697 -0.818 -2.917 1.00 0.00 C ATOM 257 C GLU A 20 -7.886 -0.547 -1.999 1.00 0.00 C ATOM 258 O GLU A 20 -7.776 -0.645 -0.776 1.00 0.00 O ATOM 259 CB GLU A 20 -6.118 0.505 -3.423 1.00 0.00 C ATOM 260 CG GLU A 20 -4.774 0.356 -4.115 1.00 0.00 C ATOM 261 CD GLU A 20 -3.606 0.497 -3.157 1.00 0.00 C ATOM 262 OE1 GLU A 20 -3.694 1.330 -2.232 1.00 0.00 O ATOM 263 OE2 GLU A 20 -2.604 -0.227 -3.334 1.00 0.00 O ATOM 0 H GLU A 20 -7.838 -1.279 -4.615 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.933 -1.347 -2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.826 0.960 -4.116 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.010 1.190 -2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.725 -0.619 -4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.688 1.108 -4.900 1.00 0.00 H new ATOM 270 N CYS A 21 -9.022 -0.206 -2.598 1.00 0.00 N ATOM 271 CA CYS A 21 -10.232 0.080 -1.836 1.00 0.00 C ATOM 272 C CYS A 21 -11.320 -0.946 -2.139 1.00 0.00 C ATOM 273 O CYS A 21 -12.313 -1.043 -1.417 1.00 0.00 O ATOM 274 CB CYS A 21 -10.740 1.487 -2.156 1.00 0.00 C ATOM 275 SG CYS A 21 -11.109 1.763 -3.918 1.00 0.00 S ATOM 0 H CYS A 21 -9.130 -0.121 -3.609 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.987 0.022 -0.776 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.641 1.677 -1.573 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.993 2.213 -1.834 1.00 0.00 H new ATOM 280 N GLN A 22 -11.126 -1.708 -3.210 1.00 0.00 N ATOM 281 CA GLN A 22 -12.091 -2.726 -3.608 1.00 0.00 C ATOM 282 C GLN A 22 -13.383 -2.087 -4.106 1.00 0.00 C ATOM 283 O GLN A 22 -14.475 -2.440 -3.660 1.00 0.00 O ATOM 284 CB GLN A 22 -12.390 -3.662 -2.436 1.00 0.00 C ATOM 285 CG GLN A 22 -11.143 -4.224 -1.773 1.00 0.00 C ATOM 286 CD GLN A 22 -10.389 -5.187 -2.669 1.00 0.00 C ATOM 287 OE1 GLN A 22 -10.984 -6.058 -3.303 1.00 0.00 O ATOM 288 NE2 GLN A 22 -9.071 -5.034 -2.726 1.00 0.00 N ATOM 0 H GLN A 22 -10.310 -1.640 -3.818 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.655 -3.304 -4.423 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.976 -3.123 -1.691 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.007 -4.488 -2.790 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.484 -3.403 -1.493 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.425 -4.735 -0.852 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.619 -4.298 -2.183 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.511 -5.652 -3.313 1.00 0.00 H new ATOM 297 N LYS A 23 -13.251 -1.143 -5.032 1.00 0.00 N ATOM 298 CA LYS A 23 -14.408 -0.454 -5.592 1.00 0.00 C ATOM 299 C LYS A 23 -14.416 -0.554 -7.114 1.00 0.00 C ATOM 300 O LYS A 23 -13.406 -0.295 -7.770 1.00 0.00 O ATOM 301 CB LYS A 23 -14.406 1.016 -5.167 1.00 0.00 C ATOM 302 CG LYS A 23 -15.120 1.269 -3.850 1.00 0.00 C ATOM 303 CD LYS A 23 -14.297 0.786 -2.668 1.00 0.00 C ATOM 304 CE LYS A 23 -15.061 0.930 -1.361 1.00 0.00 C ATOM 305 NZ LYS A 23 -15.379 2.352 -1.057 1.00 0.00 N ATOM 0 H LYS A 23 -12.354 -0.838 -5.411 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.308 -0.936 -5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.375 1.360 -5.084 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.879 1.612 -5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.321 2.335 -3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.085 0.761 -3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.022 -0.258 -2.817 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.369 1.355 -2.613 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.985 0.355 -1.416 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.471 0.508 -0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.777 2.421 -0.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.511 2.922 -1.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.071 2.708 -1.746 1.00 0.00 H new ATOM 319 N THR A 24 -15.563 -0.929 -7.672 1.00 0.00 N ATOM 320 CA THR A 24 -15.703 -1.063 -9.116 1.00 0.00 C ATOM 321 C THR A 24 -14.977 0.062 -9.845 1.00 0.00 C ATOM 322 O THR A 24 -15.454 1.196 -9.889 1.00 0.00 O ATOM 323 CB THR A 24 -17.184 -1.062 -9.540 1.00 0.00 C ATOM 324 OG1 THR A 24 -17.907 -2.050 -8.797 1.00 0.00 O ATOM 325 CG2 THR A 24 -17.321 -1.340 -11.029 1.00 0.00 C ATOM 0 H THR A 24 -16.409 -1.145 -7.145 1.00 0.00 H new ATOM 0 HA THR A 24 -15.255 -2.019 -9.389 1.00 0.00 H new ATOM 0 HB THR A 24 -17.598 -0.076 -9.331 1.00 0.00 H new ATOM 0 HG1 THR A 24 -18.848 -2.042 -9.071 1.00 0.00 H new ATOM 0 HG21 THR A 24 -18.376 -1.334 -11.305 1.00 0.00 H new ATOM 0 HG22 THR A 24 -16.794 -0.570 -11.593 1.00 0.00 H new ATOM 0 HG23 THR A 24 -16.891 -2.315 -11.258 1.00 0.00 H new ATOM 333 N VAL A 25 -13.821 -0.259 -10.417 1.00 0.00 N ATOM 334 CA VAL A 25 -13.030 0.725 -11.147 1.00 0.00 C ATOM 335 C VAL A 25 -13.656 1.039 -12.501 1.00 0.00 C ATOM 336 O VAL A 25 -13.824 0.154 -13.339 1.00 0.00 O ATOM 337 CB VAL A 25 -11.585 0.235 -11.363 1.00 0.00 C ATOM 338 CG1 VAL A 25 -10.815 1.212 -12.237 1.00 0.00 C ATOM 339 CG2 VAL A 25 -10.886 0.035 -10.027 1.00 0.00 C ATOM 0 H VAL A 25 -13.411 -1.193 -10.389 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.012 1.630 -10.540 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.618 -0.726 -11.877 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.797 0.849 -12.378 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.307 1.299 -13.206 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.788 2.189 -11.754 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.867 -0.311 -10.198 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.862 0.980 -9.484 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.428 -0.707 -9.440 1.00 0.00 H new ATOM 349 N TYR A 26 -13.999 2.306 -12.708 1.00 0.00 N ATOM 350 CA TYR A 26 -14.608 2.738 -13.960 1.00 0.00 C ATOM 351 C TYR A 26 -13.561 2.861 -15.062 1.00 0.00 C ATOM 352 O TYR A 26 -12.361 2.966 -14.804 1.00 0.00 O ATOM 353 CB TYR A 26 -15.324 4.076 -13.768 1.00 0.00 C ATOM 354 CG TYR A 26 -16.751 3.937 -13.289 1.00 0.00 C ATOM 355 CD1 TYR A 26 -17.032 3.503 -12.000 1.00 0.00 C ATOM 356 CD2 TYR A 26 -17.818 4.238 -14.126 1.00 0.00 C ATOM 357 CE1 TYR A 26 -18.335 3.373 -11.558 1.00 0.00 C ATOM 358 CE2 TYR A 26 -19.124 4.112 -13.693 1.00 0.00 C ATOM 359 CZ TYR A 26 -19.377 3.680 -12.408 1.00 0.00 C ATOM 360 OH TYR A 26 -20.676 3.552 -11.973 1.00 0.00 O ATOM 0 H TYR A 26 -13.865 3.051 -12.025 1.00 0.00 H new ATOM 0 HA TYR A 26 -15.336 1.984 -14.260 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -14.766 4.677 -13.050 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -15.318 4.620 -14.712 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -16.218 3.263 -11.332 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -17.623 4.576 -15.133 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -18.536 3.033 -10.553 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -19.942 4.350 -14.357 1.00 0.00 H new ATOM 0 HH TYR A 26 -21.289 3.809 -12.693 1.00 0.00 H new ATOM 370 N PRO A 27 -14.023 2.850 -16.321 1.00 0.00 N ATOM 371 CA PRO A 27 -13.144 2.961 -17.488 1.00 0.00 C ATOM 372 C PRO A 27 -12.531 4.351 -17.622 1.00 0.00 C ATOM 373 O PRO A 27 -11.819 4.635 -18.584 1.00 0.00 O ATOM 374 CB PRO A 27 -14.079 2.674 -18.665 1.00 0.00 C ATOM 375 CG PRO A 27 -15.435 3.044 -18.171 1.00 0.00 C ATOM 376 CD PRO A 27 -15.441 2.728 -16.701 1.00 0.00 C ATOM 0 HA PRO A 27 -12.295 2.281 -17.424 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.803 3.260 -19.542 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -14.037 1.625 -18.957 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -15.638 4.101 -18.344 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -16.208 2.481 -18.694 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -16.068 3.423 -16.143 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -15.825 1.726 -16.507 1.00 0.00 H new ATOM 384 N MET A 28 -12.813 5.213 -16.651 1.00 0.00 N ATOM 385 CA MET A 28 -12.287 6.573 -16.660 1.00 0.00 C ATOM 386 C MET A 28 -11.190 6.740 -15.613 1.00 0.00 C ATOM 387 O MET A 28 -10.332 7.612 -15.735 1.00 0.00 O ATOM 388 CB MET A 28 -13.411 7.579 -16.403 1.00 0.00 C ATOM 389 CG MET A 28 -14.429 7.654 -17.529 1.00 0.00 C ATOM 390 SD MET A 28 -15.373 9.190 -17.510 1.00 0.00 S ATOM 391 CE MET A 28 -14.351 10.229 -18.550 1.00 0.00 C ATOM 0 H MET A 28 -13.403 4.994 -15.848 1.00 0.00 H new ATOM 0 HA MET A 28 -11.857 6.762 -17.643 1.00 0.00 H new ATOM 0 HB2 MET A 28 -13.923 7.311 -15.479 1.00 0.00 H new ATOM 0 HB3 MET A 28 -12.976 8.567 -16.251 1.00 0.00 H new ATOM 0 HG2 MET A 28 -13.915 7.560 -18.485 1.00 0.00 H new ATOM 0 HG3 MET A 28 -15.114 6.810 -17.451 1.00 0.00 H new ATOM 0 HE1 MET A 28 -14.804 11.217 -18.635 1.00 0.00 H new ATOM 0 HE2 MET A 28 -13.359 10.322 -18.108 1.00 0.00 H new ATOM 0 HE3 MET A 28 -14.267 9.782 -19.540 1.00 0.00 H new ATOM 401 N GLU A 29 -11.226 5.897 -14.586 1.00 0.00 N ATOM 402 CA GLU A 29 -10.235 5.953 -13.518 1.00 0.00 C ATOM 403 C GLU A 29 -9.465 4.639 -13.421 1.00 0.00 C ATOM 404 O GLU A 29 -8.868 4.332 -12.389 1.00 0.00 O ATOM 405 CB GLU A 29 -10.911 6.261 -12.180 1.00 0.00 C ATOM 406 CG GLU A 29 -12.147 5.418 -11.915 1.00 0.00 C ATOM 407 CD GLU A 29 -13.022 5.995 -10.819 1.00 0.00 C ATOM 408 OE1 GLU A 29 -12.472 6.613 -9.883 1.00 0.00 O ATOM 409 OE2 GLU A 29 -14.257 5.828 -10.897 1.00 0.00 O ATOM 0 H GLU A 29 -11.930 5.168 -14.471 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.530 6.751 -13.753 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.194 6.102 -11.375 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.188 7.315 -12.157 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.729 5.334 -12.833 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.842 4.409 -11.638 1.00 0.00 H new ATOM 416 N ARG A 30 -9.485 3.867 -14.502 1.00 0.00 N ATOM 417 CA ARG A 30 -8.791 2.585 -14.539 1.00 0.00 C ATOM 418 C ARG A 30 -7.309 2.778 -14.847 1.00 0.00 C ATOM 419 O ARG A 30 -6.933 3.072 -15.983 1.00 0.00 O ATOM 420 CB ARG A 30 -9.425 1.668 -15.586 1.00 0.00 C ATOM 421 CG ARG A 30 -8.744 0.314 -15.702 1.00 0.00 C ATOM 422 CD ARG A 30 -8.829 -0.233 -17.118 1.00 0.00 C ATOM 423 NE ARG A 30 -8.300 -1.591 -17.213 1.00 0.00 N ATOM 424 CZ ARG A 30 -7.739 -2.086 -18.311 1.00 0.00 C ATOM 425 NH1 ARG A 30 -7.635 -1.338 -19.401 1.00 0.00 N ATOM 426 NH2 ARG A 30 -7.280 -3.331 -18.320 1.00 0.00 N ATOM 0 H ARG A 30 -9.974 4.107 -15.364 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.883 2.122 -13.557 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.475 1.517 -15.336 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.396 2.164 -16.556 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.698 0.405 -15.408 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.209 -0.389 -15.011 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.868 -0.225 -17.448 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.275 0.420 -17.793 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.365 -2.192 -16.392 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.986 -0.380 -19.398 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.204 -1.720 -20.243 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.358 -3.909 -17.483 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.850 -3.710 -19.164 1.00 0.00 H new ATOM 440 N LEU A 31 -6.472 2.611 -13.829 1.00 0.00 N ATOM 441 CA LEU A 31 -5.030 2.767 -13.991 1.00 0.00 C ATOM 442 C LEU A 31 -4.316 1.429 -13.825 1.00 0.00 C ATOM 443 O LEU A 31 -4.254 0.878 -12.725 1.00 0.00 O ATOM 444 CB LEU A 31 -4.490 3.776 -12.976 1.00 0.00 C ATOM 445 CG LEU A 31 -2.978 4.002 -12.994 1.00 0.00 C ATOM 446 CD1 LEU A 31 -2.650 5.446 -12.645 1.00 0.00 C ATOM 447 CD2 LEU A 31 -2.284 3.048 -12.033 1.00 0.00 C ATOM 0 H LEU A 31 -6.766 2.368 -12.883 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.839 3.137 -14.998 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.982 4.733 -13.148 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.776 3.445 -11.978 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.612 3.801 -14.001 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.569 5.588 -12.663 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.115 6.111 -13.373 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.030 5.675 -11.649 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.209 3.223 -12.059 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.655 3.217 -11.022 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.491 2.019 -12.328 1.00 0.00 H new ATOM 459 N LEU A 32 -3.775 0.914 -14.923 1.00 0.00 N ATOM 460 CA LEU A 32 -3.062 -0.359 -14.900 1.00 0.00 C ATOM 461 C LEU A 32 -1.703 -0.209 -14.225 1.00 0.00 C ATOM 462 O LEU A 32 -0.893 0.631 -14.617 1.00 0.00 O ATOM 463 CB LEU A 32 -2.882 -0.891 -16.323 1.00 0.00 C ATOM 464 CG LEU A 32 -2.829 -2.412 -16.469 1.00 0.00 C ATOM 465 CD1 LEU A 32 -1.714 -2.992 -15.612 1.00 0.00 C ATOM 466 CD2 LEU A 32 -4.168 -3.031 -16.095 1.00 0.00 C ATOM 0 H LEU A 32 -3.816 1.358 -15.840 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.656 -1.070 -14.326 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.701 -0.516 -16.936 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.961 -0.475 -16.731 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.620 -2.650 -17.512 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.692 -4.076 -15.729 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.758 -2.573 -15.926 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.892 -2.743 -14.566 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.112 -4.114 -16.205 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.407 -2.783 -15.061 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.946 -2.640 -16.751 1.00 0.00 H new ATOM 478 N ALA A 33 -1.458 -1.031 -13.209 1.00 0.00 N ATOM 479 CA ALA A 33 -0.195 -0.992 -12.483 1.00 0.00 C ATOM 480 C ALA A 33 0.181 -2.375 -11.962 1.00 0.00 C ATOM 481 O ALA A 33 -0.494 -2.926 -11.094 1.00 0.00 O ATOM 482 CB ALA A 33 -0.277 0.002 -11.334 1.00 0.00 C ATOM 0 H ALA A 33 -2.118 -1.732 -12.871 1.00 0.00 H new ATOM 0 HA ALA A 33 0.583 -0.668 -13.174 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.673 0.021 -10.801 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.492 0.996 -11.727 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.071 -0.297 -10.650 1.00 0.00 H new ATOM 488 N ASN A 34 1.262 -2.931 -12.499 1.00 0.00 N ATOM 489 CA ASN A 34 1.727 -4.251 -12.089 1.00 0.00 C ATOM 490 C ASN A 34 0.709 -5.326 -12.460 1.00 0.00 C ATOM 491 O ASN A 34 0.493 -6.275 -11.707 1.00 0.00 O ATOM 492 CB ASN A 34 1.987 -4.278 -10.582 1.00 0.00 C ATOM 493 CG ASN A 34 3.084 -5.253 -10.201 1.00 0.00 C ATOM 494 OD1 ASN A 34 3.842 -5.715 -11.054 1.00 0.00 O ATOM 495 ND2 ASN A 34 3.174 -5.570 -8.915 1.00 0.00 N ATOM 0 H ASN A 34 1.832 -2.488 -13.219 1.00 0.00 H new ATOM 0 HA ASN A 34 2.658 -4.460 -12.615 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.261 -3.278 -10.246 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.068 -4.549 -10.062 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.893 -6.221 -8.599 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.524 -5.163 -8.243 1.00 0.00 H new ATOM 502 N GLN A 35 0.088 -5.168 -13.624 1.00 0.00 N ATOM 503 CA GLN A 35 -0.907 -6.125 -14.094 1.00 0.00 C ATOM 504 C GLN A 35 -2.097 -6.185 -13.142 1.00 0.00 C ATOM 505 O GLN A 35 -2.661 -7.253 -12.906 1.00 0.00 O ATOM 506 CB GLN A 35 -0.283 -7.514 -14.236 1.00 0.00 C ATOM 507 CG GLN A 35 0.924 -7.547 -15.160 1.00 0.00 C ATOM 508 CD GLN A 35 1.158 -8.916 -15.767 1.00 0.00 C ATOM 509 OE1 GLN A 35 0.211 -9.626 -16.108 1.00 0.00 O ATOM 510 NE2 GLN A 35 2.423 -9.295 -15.904 1.00 0.00 N ATOM 0 H GLN A 35 0.256 -4.387 -14.259 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.261 -5.792 -15.070 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.014 -7.872 -13.250 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.037 -8.205 -14.612 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.785 -6.819 -15.959 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.811 -7.244 -14.603 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.176 -8.674 -15.608 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.642 -10.207 -16.305 1.00 0.00 H new ATOM 519 N GLN A 36 -2.473 -5.031 -12.599 1.00 0.00 N ATOM 520 CA GLN A 36 -3.595 -4.954 -11.672 1.00 0.00 C ATOM 521 C GLN A 36 -4.307 -3.609 -11.789 1.00 0.00 C ATOM 522 O GLN A 36 -3.677 -2.582 -12.040 1.00 0.00 O ATOM 523 CB GLN A 36 -3.113 -5.165 -10.235 1.00 0.00 C ATOM 524 CG GLN A 36 -3.089 -6.625 -9.811 1.00 0.00 C ATOM 525 CD GLN A 36 -3.216 -6.798 -8.310 1.00 0.00 C ATOM 526 OE1 GLN A 36 -4.130 -7.466 -7.826 1.00 0.00 O ATOM 527 NE2 GLN A 36 -2.297 -6.196 -7.564 1.00 0.00 N ATOM 0 H GLN A 36 -2.017 -4.138 -12.785 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.301 -5.743 -11.931 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.111 -4.748 -10.132 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.761 -4.609 -9.558 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.903 -7.156 -10.304 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.159 -7.082 -10.148 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.557 -5.652 -8.007 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.331 -6.278 -6.548 1.00 0.00 H new ATOM 536 N VAL A 37 -5.623 -3.624 -11.606 1.00 0.00 N ATOM 537 CA VAL A 37 -6.420 -2.406 -11.691 1.00 0.00 C ATOM 538 C VAL A 37 -6.223 -1.533 -10.457 1.00 0.00 C ATOM 539 O VAL A 37 -6.478 -1.963 -9.331 1.00 0.00 O ATOM 540 CB VAL A 37 -7.919 -2.726 -11.845 1.00 0.00 C ATOM 541 CG1 VAL A 37 -8.729 -1.444 -11.964 1.00 0.00 C ATOM 542 CG2 VAL A 37 -8.150 -3.626 -13.050 1.00 0.00 C ATOM 0 H VAL A 37 -6.160 -4.466 -11.398 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.078 -1.865 -12.574 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.253 -3.257 -10.954 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.785 -1.690 -12.072 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.587 -0.839 -11.068 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -8.396 -0.883 -12.837 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.214 -3.842 -13.144 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -7.801 -3.123 -13.952 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.601 -4.558 -12.918 1.00 0.00 H new ATOM 552 N PHE A 38 -5.767 -0.304 -10.675 1.00 0.00 N ATOM 553 CA PHE A 38 -5.534 0.631 -9.580 1.00 0.00 C ATOM 554 C PHE A 38 -6.215 1.968 -9.853 1.00 0.00 C ATOM 555 O PHE A 38 -6.418 2.351 -11.006 1.00 0.00 O ATOM 556 CB PHE A 38 -4.033 0.843 -9.373 1.00 0.00 C ATOM 557 CG PHE A 38 -3.383 -0.234 -8.552 1.00 0.00 C ATOM 558 CD1 PHE A 38 -3.392 -0.169 -7.168 1.00 0.00 C ATOM 559 CD2 PHE A 38 -2.764 -1.312 -9.164 1.00 0.00 C ATOM 560 CE1 PHE A 38 -2.794 -1.158 -6.410 1.00 0.00 C ATOM 561 CE2 PHE A 38 -2.165 -2.305 -8.412 1.00 0.00 C ATOM 562 CZ PHE A 38 -2.181 -2.228 -7.033 1.00 0.00 C ATOM 0 H PHE A 38 -5.551 0.068 -11.600 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.962 0.204 -8.673 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.544 0.892 -10.346 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.874 1.805 -8.887 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.872 0.664 -6.676 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.749 -1.377 -10.242 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.806 -1.094 -5.332 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.685 -3.140 -8.902 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.715 -3.003 -6.443 1.00 0.00 H new ATOM 572 N HIS A 39 -6.567 2.676 -8.784 1.00 0.00 N ATOM 573 CA HIS A 39 -7.226 3.971 -8.907 1.00 0.00 C ATOM 574 C HIS A 39 -6.200 5.097 -8.990 1.00 0.00 C ATOM 575 O HIS A 39 -5.351 5.242 -8.109 1.00 0.00 O ATOM 576 CB HIS A 39 -8.163 4.205 -7.722 1.00 0.00 C ATOM 577 CG HIS A 39 -9.565 3.739 -7.966 1.00 0.00 C ATOM 578 ND1 HIS A 39 -10.407 3.324 -6.955 1.00 0.00 N ATOM 579 CD2 HIS A 39 -10.274 3.625 -9.113 1.00 0.00 C ATOM 580 CE1 HIS A 39 -11.571 2.973 -7.471 1.00 0.00 C ATOM 581 NE2 HIS A 39 -11.517 3.147 -8.779 1.00 0.00 N ATOM 0 H HIS A 39 -6.407 2.374 -7.823 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.811 3.967 -9.827 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.765 3.690 -6.847 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.178 5.269 -7.486 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.926 3.865 -10.107 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.422 2.606 -6.917 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.275 2.957 -9.434 1.00 0.00 H new ATOM 589 N ILE A 40 -6.283 5.890 -10.053 1.00 0.00 N ATOM 590 CA ILE A 40 -5.362 7.002 -10.249 1.00 0.00 C ATOM 591 C ILE A 40 -5.064 7.709 -8.931 1.00 0.00 C ATOM 592 O ILE A 40 -4.018 8.339 -8.775 1.00 0.00 O ATOM 593 CB ILE A 40 -5.922 8.027 -11.253 1.00 0.00 C ATOM 594 CG1 ILE A 40 -5.824 7.482 -12.679 1.00 0.00 C ATOM 595 CG2 ILE A 40 -5.178 9.348 -11.132 1.00 0.00 C ATOM 596 CD1 ILE A 40 -7.117 6.883 -13.187 1.00 0.00 C ATOM 0 H ILE A 40 -6.979 5.783 -10.791 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.440 6.580 -10.649 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.973 8.203 -11.023 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.519 8.287 -13.347 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.042 6.723 -12.717 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.585 10.062 -11.848 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.295 9.740 -10.122 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.120 9.190 -11.339 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.974 6.517 -14.204 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.413 6.056 -12.542 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.897 7.644 -13.182 1.00 0.00 H new ATOM 608 N SER A 41 -5.991 7.599 -7.984 1.00 0.00 N ATOM 609 CA SER A 41 -5.829 8.229 -6.679 1.00 0.00 C ATOM 610 C SER A 41 -5.225 7.252 -5.675 1.00 0.00 C ATOM 611 O SER A 41 -4.200 7.535 -5.054 1.00 0.00 O ATOM 612 CB SER A 41 -7.177 8.739 -6.165 1.00 0.00 C ATOM 613 OG SER A 41 -7.023 9.448 -4.948 1.00 0.00 O ATOM 0 H SER A 41 -6.862 7.080 -8.096 1.00 0.00 H new ATOM 0 HA SER A 41 -5.148 9.073 -6.792 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.633 9.388 -6.913 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.855 7.898 -6.017 1.00 0.00 H new ATOM 0 HG SER A 41 -7.898 9.765 -4.641 1.00 0.00 H new ATOM 619 N CYS A 42 -5.869 6.099 -5.521 1.00 0.00 N ATOM 620 CA CYS A 42 -5.398 5.078 -4.593 1.00 0.00 C ATOM 621 C CYS A 42 -3.915 4.789 -4.809 1.00 0.00 C ATOM 622 O CYS A 42 -3.169 4.567 -3.855 1.00 0.00 O ATOM 623 CB CYS A 42 -6.210 3.793 -4.761 1.00 0.00 C ATOM 624 SG CYS A 42 -7.969 3.961 -4.320 1.00 0.00 S ATOM 0 H CYS A 42 -6.718 5.849 -6.027 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.532 5.454 -3.579 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.136 3.462 -5.797 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.765 3.012 -4.145 1.00 0.00 H new ATOM 629 N PHE A 43 -3.495 4.793 -6.070 1.00 0.00 N ATOM 630 CA PHE A 43 -2.102 4.530 -6.412 1.00 0.00 C ATOM 631 C PHE A 43 -1.161 5.328 -5.514 1.00 0.00 C ATOM 632 O PHE A 43 -0.779 6.452 -5.840 1.00 0.00 O ATOM 633 CB PHE A 43 -1.841 4.878 -7.879 1.00 0.00 C ATOM 634 CG PHE A 43 -0.758 4.048 -8.508 1.00 0.00 C ATOM 635 CD1 PHE A 43 -0.759 2.669 -8.377 1.00 0.00 C ATOM 636 CD2 PHE A 43 0.261 4.648 -9.230 1.00 0.00 C ATOM 637 CE1 PHE A 43 0.237 1.904 -8.954 1.00 0.00 C ATOM 638 CE2 PHE A 43 1.259 3.888 -9.810 1.00 0.00 C ATOM 639 CZ PHE A 43 1.246 2.514 -9.672 1.00 0.00 C ATOM 0 H PHE A 43 -4.099 4.975 -6.871 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.910 3.468 -6.257 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.763 4.747 -8.445 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.569 5.931 -7.952 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.547 2.186 -7.818 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.276 5.722 -9.341 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.226 0.830 -8.843 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.048 4.368 -10.370 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.024 1.918 -10.125 1.00 0.00 H new ATOM 649 N ARG A 44 -0.792 4.739 -4.381 1.00 0.00 N ATOM 650 CA ARG A 44 0.102 5.394 -3.435 1.00 0.00 C ATOM 651 C ARG A 44 1.016 4.378 -2.757 1.00 0.00 C ATOM 652 O ARG A 44 0.854 3.169 -2.928 1.00 0.00 O ATOM 653 CB ARG A 44 -0.705 6.153 -2.380 1.00 0.00 C ATOM 654 CG ARG A 44 -1.727 7.113 -2.969 1.00 0.00 C ATOM 655 CD ARG A 44 -2.649 7.672 -1.896 1.00 0.00 C ATOM 656 NE ARG A 44 -3.753 6.764 -1.596 1.00 0.00 N ATOM 657 CZ ARG A 44 -4.518 6.870 -0.515 1.00 0.00 C ATOM 658 NH1 ARG A 44 -4.300 7.840 0.363 1.00 0.00 N ATOM 659 NH2 ARG A 44 -5.504 6.006 -0.311 1.00 0.00 N ATOM 0 H ARG A 44 -1.099 3.809 -4.096 1.00 0.00 H new ATOM 0 HA ARG A 44 0.720 6.101 -3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.220 5.434 -1.742 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.019 6.712 -1.743 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.212 7.932 -3.470 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.318 6.598 -3.726 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.076 7.859 -0.988 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.048 8.632 -2.225 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.947 6.007 -2.252 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.544 8.507 0.209 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.889 7.919 1.192 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.675 5.259 -0.984 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.091 6.088 0.519 1.00 0.00 H new ATOM 673 N CYS A 45 1.978 4.876 -1.987 1.00 0.00 N ATOM 674 CA CYS A 45 2.919 4.013 -1.283 1.00 0.00 C ATOM 675 C CYS A 45 2.299 3.462 -0.002 1.00 0.00 C ATOM 676 O CYS A 45 1.647 4.190 0.747 1.00 0.00 O ATOM 677 CB CYS A 45 4.200 4.781 -0.954 1.00 0.00 C ATOM 678 SG CYS A 45 5.390 3.844 0.058 1.00 0.00 S ATOM 0 H CYS A 45 2.126 5.874 -1.835 1.00 0.00 H new ATOM 0 HA CYS A 45 3.164 3.175 -1.936 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.684 5.075 -1.885 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.936 5.699 -0.428 1.00 0.00 H new ATOM 683 N SER A 46 2.507 2.172 0.243 1.00 0.00 N ATOM 684 CA SER A 46 1.967 1.523 1.431 1.00 0.00 C ATOM 685 C SER A 46 2.851 1.790 2.646 1.00 0.00 C ATOM 686 O SER A 46 2.811 1.051 3.630 1.00 0.00 O ATOM 687 CB SER A 46 1.838 0.016 1.201 1.00 0.00 C ATOM 688 OG SER A 46 0.684 -0.286 0.436 1.00 0.00 O ATOM 0 H SER A 46 3.046 1.556 -0.366 1.00 0.00 H new ATOM 0 HA SER A 46 0.979 1.940 1.624 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.726 -0.354 0.688 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.787 -0.498 2.161 1.00 0.00 H new ATOM 0 HG SER A 46 0.844 -1.096 -0.092 1.00 0.00 H new ATOM 694 N TYR A 47 3.648 2.850 2.568 1.00 0.00 N ATOM 695 CA TYR A 47 4.544 3.214 3.659 1.00 0.00 C ATOM 696 C TYR A 47 4.320 4.660 4.088 1.00 0.00 C ATOM 697 O TYR A 47 4.225 4.959 5.279 1.00 0.00 O ATOM 698 CB TYR A 47 6.001 3.015 3.238 1.00 0.00 C ATOM 699 CG TYR A 47 6.973 3.023 4.396 1.00 0.00 C ATOM 700 CD1 TYR A 47 7.072 4.126 5.236 1.00 0.00 C ATOM 701 CD2 TYR A 47 7.791 1.930 4.650 1.00 0.00 C ATOM 702 CE1 TYR A 47 7.959 4.139 6.296 1.00 0.00 C ATOM 703 CE2 TYR A 47 8.680 1.934 5.708 1.00 0.00 C ATOM 704 CZ TYR A 47 8.760 3.040 6.528 1.00 0.00 C ATOM 705 OH TYR A 47 9.645 3.048 7.581 1.00 0.00 O ATOM 0 H TYR A 47 3.692 3.472 1.761 1.00 0.00 H new ATOM 0 HA TYR A 47 4.326 2.565 4.507 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.090 2.068 2.706 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.278 3.802 2.537 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.445 4.987 5.057 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.731 1.062 4.010 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.025 5.004 6.939 1.00 0.00 H new ATOM 0 HE2 TYR A 47 9.309 1.075 5.892 1.00 0.00 H new ATOM 0 HH TYR A 47 10.132 2.198 7.605 1.00 0.00 H new ATOM 715 N CYS A 48 4.236 5.555 3.109 1.00 0.00 N ATOM 716 CA CYS A 48 4.022 6.971 3.383 1.00 0.00 C ATOM 717 C CYS A 48 2.663 7.427 2.860 1.00 0.00 C ATOM 718 O CYS A 48 2.162 8.483 3.244 1.00 0.00 O ATOM 719 CB CYS A 48 5.134 7.808 2.746 1.00 0.00 C ATOM 720 SG CYS A 48 5.525 7.341 1.029 1.00 0.00 S ATOM 0 H CYS A 48 4.313 5.324 2.118 1.00 0.00 H new ATOM 0 HA CYS A 48 4.042 7.114 4.463 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.842 8.858 2.768 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.036 7.715 3.351 1.00 0.00 H new ATOM 725 N ASN A 49 2.073 6.623 1.982 1.00 0.00 N ATOM 726 CA ASN A 49 0.772 6.944 1.406 1.00 0.00 C ATOM 727 C ASN A 49 0.850 8.212 0.560 1.00 0.00 C ATOM 728 O ASN A 49 0.092 9.158 0.770 1.00 0.00 O ATOM 729 CB ASN A 49 -0.270 7.119 2.512 1.00 0.00 C ATOM 730 CG ASN A 49 -0.979 5.821 2.849 1.00 0.00 C ATOM 731 OD1 ASN A 49 -0.830 5.287 3.948 1.00 0.00 O ATOM 732 ND2 ASN A 49 -1.755 5.308 1.901 1.00 0.00 N ATOM 0 H ASN A 49 2.475 5.745 1.654 1.00 0.00 H new ATOM 0 HA ASN A 49 0.473 6.116 0.763 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.216 7.507 3.407 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.005 7.861 2.201 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.257 4.436 2.069 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.849 5.786 1.005 1.00 0.00 H new ATOM 739 N ASN A 50 1.771 8.223 -0.397 1.00 0.00 N ATOM 740 CA ASN A 50 1.948 9.374 -1.275 1.00 0.00 C ATOM 741 C ASN A 50 1.472 9.057 -2.690 1.00 0.00 C ATOM 742 O ASN A 50 1.594 7.926 -3.159 1.00 0.00 O ATOM 743 CB ASN A 50 3.418 9.799 -1.303 1.00 0.00 C ATOM 744 CG ASN A 50 3.785 10.685 -0.127 1.00 0.00 C ATOM 745 OD1 ASN A 50 3.046 11.603 0.227 1.00 0.00 O ATOM 746 ND2 ASN A 50 4.933 10.411 0.483 1.00 0.00 N ATOM 0 H ASN A 50 2.407 7.448 -0.585 1.00 0.00 H new ATOM 0 HA ASN A 50 1.347 10.194 -0.883 1.00 0.00 H new ATOM 0 HB2 ASN A 50 4.050 8.911 -1.297 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.623 10.330 -2.233 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.234 10.972 1.280 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.514 9.640 0.154 1.00 0.00 H new ATOM 753 N LYS A 51 0.930 10.065 -3.365 1.00 0.00 N ATOM 754 CA LYS A 51 0.437 9.897 -4.727 1.00 0.00 C ATOM 755 C LYS A 51 1.566 9.490 -5.668 1.00 0.00 C ATOM 756 O LYS A 51 2.649 10.076 -5.645 1.00 0.00 O ATOM 757 CB LYS A 51 -0.211 11.192 -5.220 1.00 0.00 C ATOM 758 CG LYS A 51 -1.703 11.268 -4.948 1.00 0.00 C ATOM 759 CD LYS A 51 -2.509 10.661 -6.085 1.00 0.00 C ATOM 760 CE LYS A 51 -2.797 11.685 -7.172 1.00 0.00 C ATOM 761 NZ LYS A 51 -3.888 12.619 -6.779 1.00 0.00 N ATOM 0 H LYS A 51 0.821 11.008 -2.991 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.310 9.104 -4.721 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.280 12.039 -4.742 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.040 11.288 -6.292 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.932 10.745 -4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.996 12.309 -4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.962 9.820 -6.511 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.448 10.267 -5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.891 12.253 -7.385 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.074 11.170 -8.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.135 13.224 -7.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.724 12.073 -6.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.568 13.213 -5.988 1.00 0.00 H new ATOM 775 N LEU A 52 1.307 8.484 -6.495 1.00 0.00 N ATOM 776 CA LEU A 52 2.301 7.999 -7.446 1.00 0.00 C ATOM 777 C LEU A 52 1.714 7.912 -8.851 1.00 0.00 C ATOM 778 O LEU A 52 0.579 8.325 -9.087 1.00 0.00 O ATOM 779 CB LEU A 52 2.824 6.628 -7.014 1.00 0.00 C ATOM 780 CG LEU A 52 3.369 6.537 -5.588 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.425 5.088 -5.129 1.00 0.00 C ATOM 782 CD2 LEU A 52 4.746 7.180 -5.501 1.00 0.00 C ATOM 0 H LEU A 52 0.416 7.988 -6.527 1.00 0.00 H new ATOM 0 HA LEU A 52 3.129 8.708 -7.461 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.017 5.903 -7.120 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.614 6.329 -7.703 1.00 0.00 H new ATOM 0 HG LEU A 52 2.694 7.080 -4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.815 5.043 -4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.423 4.660 -5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.077 4.521 -5.793 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.118 7.106 -4.479 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.431 6.666 -6.175 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.676 8.230 -5.787 1.00 0.00 H new ATOM 794 N SER A 53 2.494 7.369 -9.781 1.00 0.00 N ATOM 795 CA SER A 53 2.052 7.228 -11.163 1.00 0.00 C ATOM 796 C SER A 53 2.968 6.282 -11.933 1.00 0.00 C ATOM 797 O SER A 53 3.982 5.818 -11.409 1.00 0.00 O ATOM 798 CB SER A 53 2.016 8.594 -11.851 1.00 0.00 C ATOM 799 OG SER A 53 1.013 8.636 -12.850 1.00 0.00 O ATOM 0 H SER A 53 3.435 7.020 -9.602 1.00 0.00 H new ATOM 0 HA SER A 53 1.047 6.806 -11.156 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.829 9.372 -11.111 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.988 8.805 -12.298 1.00 0.00 H new ATOM 0 HG SER A 53 1.010 9.520 -13.273 1.00 0.00 H new ATOM 805 N LEU A 54 2.604 6.000 -13.179 1.00 0.00 N ATOM 806 CA LEU A 54 3.393 5.109 -14.023 1.00 0.00 C ATOM 807 C LEU A 54 4.746 5.729 -14.354 1.00 0.00 C ATOM 808 O LEU A 54 4.925 6.323 -15.416 1.00 0.00 O ATOM 809 CB LEU A 54 2.634 4.793 -15.313 1.00 0.00 C ATOM 810 CG LEU A 54 1.159 4.423 -15.152 1.00 0.00 C ATOM 811 CD1 LEU A 54 0.484 4.316 -16.510 1.00 0.00 C ATOM 812 CD2 LEU A 54 1.018 3.120 -14.379 1.00 0.00 C ATOM 0 H LEU A 54 1.768 6.375 -13.627 1.00 0.00 H new ATOM 0 HA LEU A 54 3.564 4.184 -13.473 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.701 5.659 -15.971 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.141 3.970 -15.817 1.00 0.00 H new ATOM 0 HG LEU A 54 0.665 5.213 -14.586 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.565 4.052 -16.375 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.554 5.273 -17.027 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.979 3.546 -17.103 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.038 2.872 -14.274 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.527 2.321 -14.918 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.464 3.233 -13.391 1.00 0.00 H new ATOM 824 N GLY A 55 5.698 5.583 -13.437 1.00 0.00 N ATOM 825 CA GLY A 55 7.025 6.132 -13.652 1.00 0.00 C ATOM 826 C GLY A 55 7.817 6.252 -12.365 1.00 0.00 C ATOM 827 O GLY A 55 9.048 6.227 -12.380 1.00 0.00 O ATOM 0 H GLY A 55 5.574 5.095 -12.550 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.569 5.497 -14.352 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.938 7.115 -14.115 1.00 0.00 H new ATOM 831 N THR A 56 7.111 6.385 -11.247 1.00 0.00 N ATOM 832 CA THR A 56 7.756 6.513 -9.946 1.00 0.00 C ATOM 833 C THR A 56 7.148 5.547 -8.934 1.00 0.00 C ATOM 834 O THR A 56 7.190 5.790 -7.728 1.00 0.00 O ATOM 835 CB THR A 56 7.642 7.949 -9.401 1.00 0.00 C ATOM 836 OG1 THR A 56 8.368 8.065 -8.172 1.00 0.00 O ATOM 837 CG2 THR A 56 6.186 8.327 -9.174 1.00 0.00 C ATOM 0 H THR A 56 6.092 6.407 -11.216 1.00 0.00 H new ATOM 0 HA THR A 56 8.809 6.270 -10.090 1.00 0.00 H new ATOM 0 HB THR A 56 8.067 8.630 -10.139 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.182 7.286 -7.608 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.130 9.345 -8.789 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.643 8.265 -10.117 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.740 7.642 -8.453 1.00 0.00 H new ATOM 845 N TYR A 57 6.585 4.453 -9.433 1.00 0.00 N ATOM 846 CA TYR A 57 5.967 3.451 -8.571 1.00 0.00 C ATOM 847 C TYR A 57 6.782 2.162 -8.563 1.00 0.00 C ATOM 848 O TYR A 57 7.562 1.902 -9.479 1.00 0.00 O ATOM 849 CB TYR A 57 4.538 3.162 -9.034 1.00 0.00 C ATOM 850 CG TYR A 57 4.448 2.069 -10.075 1.00 0.00 C ATOM 851 CD1 TYR A 57 4.324 0.736 -9.701 1.00 0.00 C ATOM 852 CD2 TYR A 57 4.489 2.368 -11.431 1.00 0.00 C ATOM 853 CE1 TYR A 57 4.243 -0.267 -10.648 1.00 0.00 C ATOM 854 CE2 TYR A 57 4.406 1.372 -12.385 1.00 0.00 C ATOM 855 CZ TYR A 57 4.284 0.056 -11.988 1.00 0.00 C ATOM 856 OH TYR A 57 4.203 -0.939 -12.935 1.00 0.00 O ATOM 0 H TYR A 57 6.543 4.237 -10.429 1.00 0.00 H new ATOM 0 HA TYR A 57 5.940 3.848 -7.556 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.935 2.880 -8.171 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.105 4.076 -9.441 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.290 0.480 -8.652 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.587 3.397 -11.745 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.148 -1.298 -10.340 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.436 1.622 -13.435 1.00 0.00 H new ATOM 0 HH TYR A 57 4.246 -0.543 -13.830 1.00 0.00 H new ATOM 866 N ALA A 58 6.594 1.357 -7.522 1.00 0.00 N ATOM 867 CA ALA A 58 7.309 0.093 -7.395 1.00 0.00 C ATOM 868 C ALA A 58 6.629 -0.823 -6.384 1.00 0.00 C ATOM 869 O ALA A 58 6.487 -0.473 -5.212 1.00 0.00 O ATOM 870 CB ALA A 58 8.756 0.343 -6.994 1.00 0.00 C ATOM 0 H ALA A 58 5.953 1.558 -6.755 1.00 0.00 H new ATOM 0 HA ALA A 58 7.293 -0.404 -8.365 1.00 0.00 H new ATOM 0 HB1 ALA A 58 9.278 -0.609 -6.903 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.244 0.953 -7.754 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.784 0.865 -6.037 1.00 0.00 H new ATOM 876 N SER A 59 6.209 -1.997 -6.845 1.00 0.00 N ATOM 877 CA SER A 59 5.539 -2.962 -5.981 1.00 0.00 C ATOM 878 C SER A 59 6.399 -4.206 -5.787 1.00 0.00 C ATOM 879 O SER A 59 7.284 -4.496 -6.593 1.00 0.00 O ATOM 880 CB SER A 59 4.183 -3.352 -6.573 1.00 0.00 C ATOM 881 OG SER A 59 3.681 -4.530 -5.964 1.00 0.00 O ATOM 0 H SER A 59 6.321 -2.303 -7.812 1.00 0.00 H new ATOM 0 HA SER A 59 5.382 -2.495 -5.009 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.474 -2.536 -6.434 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.283 -3.508 -7.647 1.00 0.00 H new ATOM 0 HG SER A 59 2.751 -4.669 -6.239 1.00 0.00 H new ATOM 887 N LEU A 60 6.133 -4.940 -4.711 1.00 0.00 N ATOM 888 CA LEU A 60 6.882 -6.154 -4.409 1.00 0.00 C ATOM 889 C LEU A 60 5.945 -7.349 -4.259 1.00 0.00 C ATOM 890 O LEU A 60 5.948 -8.261 -5.087 1.00 0.00 O ATOM 891 CB LEU A 60 7.699 -5.968 -3.129 1.00 0.00 C ATOM 892 CG LEU A 60 8.700 -7.078 -2.805 1.00 0.00 C ATOM 893 CD1 LEU A 60 9.683 -7.262 -3.950 1.00 0.00 C ATOM 894 CD2 LEU A 60 9.438 -6.768 -1.511 1.00 0.00 C ATOM 0 H LEU A 60 5.404 -4.715 -4.034 1.00 0.00 H new ATOM 0 HA LEU A 60 7.560 -6.349 -5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.242 -5.026 -3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.008 -5.873 -2.291 1.00 0.00 H new ATOM 0 HG LEU A 60 8.150 -8.010 -2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.387 -8.056 -3.701 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.140 -7.530 -4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.228 -6.332 -4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.146 -7.568 -1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.976 -5.826 -1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.721 -6.688 -0.694 1.00 0.00 H new ATOM 906 N HIS A 61 5.143 -7.336 -3.200 1.00 0.00 N ATOM 907 CA HIS A 61 4.198 -8.417 -2.943 1.00 0.00 C ATOM 908 C HIS A 61 2.760 -7.919 -3.053 1.00 0.00 C ATOM 909 O HIS A 61 1.897 -8.305 -2.267 1.00 0.00 O ATOM 910 CB HIS A 61 4.438 -9.013 -1.556 1.00 0.00 C ATOM 911 CG HIS A 61 5.870 -9.371 -1.297 1.00 0.00 C ATOM 912 ND1 HIS A 61 6.560 -8.950 -0.180 1.00 0.00 N ATOM 913 CD2 HIS A 61 6.740 -10.116 -2.017 1.00 0.00 C ATOM 914 CE1 HIS A 61 7.794 -9.419 -0.226 1.00 0.00 C ATOM 915 NE2 HIS A 61 7.929 -10.130 -1.331 1.00 0.00 N ATOM 0 H HIS A 61 5.128 -6.589 -2.506 1.00 0.00 H new ATOM 0 HA HIS A 61 4.355 -9.190 -3.695 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.108 -8.299 -0.801 1.00 0.00 H new ATOM 0 HB3 HIS A 61 3.823 -9.905 -1.442 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.537 -10.608 -2.957 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.562 -9.250 0.514 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.778 -10.611 -1.626 1.00 0.00 H new ATOM 924 N GLY A 62 2.511 -7.058 -4.036 1.00 0.00 N ATOM 925 CA GLY A 62 1.177 -6.522 -4.231 1.00 0.00 C ATOM 926 C GLY A 62 1.039 -5.106 -3.707 1.00 0.00 C ATOM 927 O GLY A 62 0.255 -4.316 -4.233 1.00 0.00 O ATOM 0 H GLY A 62 3.209 -6.723 -4.700 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.934 -6.538 -5.293 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.454 -7.164 -3.729 1.00 0.00 H new ATOM 931 N ARG A 63 1.803 -4.784 -2.668 1.00 0.00 N ATOM 932 CA ARG A 63 1.760 -3.455 -2.071 1.00 0.00 C ATOM 933 C ARG A 63 2.690 -2.497 -2.811 1.00 0.00 C ATOM 934 O ARG A 63 3.865 -2.799 -3.025 1.00 0.00 O ATOM 935 CB ARG A 63 2.151 -3.523 -0.594 1.00 0.00 C ATOM 936 CG ARG A 63 0.988 -3.853 0.328 1.00 0.00 C ATOM 937 CD ARG A 63 1.398 -3.776 1.791 1.00 0.00 C ATOM 938 NE ARG A 63 0.279 -4.049 2.688 1.00 0.00 N ATOM 939 CZ ARG A 63 0.426 -4.471 3.939 1.00 0.00 C ATOM 940 NH1 ARG A 63 1.639 -4.666 4.438 1.00 0.00 N ATOM 941 NH2 ARG A 63 -0.641 -4.698 4.694 1.00 0.00 N ATOM 0 H ARG A 63 2.459 -5.426 -2.222 1.00 0.00 H new ATOM 0 HA ARG A 63 0.740 -3.080 -2.152 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.929 -4.275 -0.467 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.580 -2.567 -0.296 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.167 -3.161 0.142 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.618 -4.854 0.105 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.198 -4.491 1.981 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.799 -2.785 2.003 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.667 -3.908 2.335 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.462 -4.492 3.861 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.749 -4.990 5.399 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.576 -4.549 4.314 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.527 -5.022 5.654 1.00 0.00 H new ATOM 955 N ILE A 64 2.157 -1.343 -3.198 1.00 0.00 N ATOM 956 CA ILE A 64 2.939 -0.342 -3.913 1.00 0.00 C ATOM 957 C ILE A 64 3.879 0.398 -2.967 1.00 0.00 C ATOM 958 O ILE A 64 3.601 0.528 -1.775 1.00 0.00 O ATOM 959 CB ILE A 64 2.032 0.680 -4.622 1.00 0.00 C ATOM 960 CG1 ILE A 64 0.859 -0.030 -5.300 1.00 0.00 C ATOM 961 CG2 ILE A 64 2.831 1.482 -5.638 1.00 0.00 C ATOM 962 CD1 ILE A 64 1.281 -0.986 -6.394 1.00 0.00 C ATOM 0 H ILE A 64 1.187 -1.078 -3.028 1.00 0.00 H new ATOM 0 HA ILE A 64 3.526 -0.874 -4.662 1.00 0.00 H new ATOM 0 HB ILE A 64 1.634 1.368 -3.877 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.293 -0.579 -4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.187 0.718 -5.721 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.176 2.200 -6.131 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.636 2.014 -5.130 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.255 0.807 -6.382 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.398 -1.453 -6.830 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.821 -0.439 -7.167 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.929 -1.756 -5.975 1.00 0.00 H new ATOM 974 N TYR A 65 4.991 0.884 -3.508 1.00 0.00 N ATOM 975 CA TYR A 65 5.973 1.612 -2.713 1.00 0.00 C ATOM 976 C TYR A 65 6.644 2.703 -3.541 1.00 0.00 C ATOM 977 O TYR A 65 6.806 2.567 -4.754 1.00 0.00 O ATOM 978 CB TYR A 65 7.028 0.651 -2.163 1.00 0.00 C ATOM 979 CG TYR A 65 6.560 -0.140 -0.962 1.00 0.00 C ATOM 980 CD1 TYR A 65 6.707 0.361 0.325 1.00 0.00 C ATOM 981 CD2 TYR A 65 5.971 -1.389 -1.116 1.00 0.00 C ATOM 982 CE1 TYR A 65 6.282 -0.359 1.425 1.00 0.00 C ATOM 983 CE2 TYR A 65 5.542 -2.115 -0.022 1.00 0.00 C ATOM 984 CZ TYR A 65 5.699 -1.596 1.246 1.00 0.00 C ATOM 985 OH TYR A 65 5.273 -2.317 2.338 1.00 0.00 O ATOM 0 H TYR A 65 5.235 0.787 -4.494 1.00 0.00 H new ATOM 0 HA TYR A 65 5.451 2.083 -1.880 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.322 -0.042 -2.951 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.917 1.219 -1.889 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.161 1.330 0.468 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.847 -1.799 -2.107 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.406 0.044 2.419 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.086 -3.084 -0.159 1.00 0.00 H new ATOM 0 HH TYR A 65 4.885 -3.165 2.039 1.00 0.00 H new ATOM 995 N CYS A 66 7.034 3.786 -2.877 1.00 0.00 N ATOM 996 CA CYS A 66 7.688 4.902 -3.549 1.00 0.00 C ATOM 997 C CYS A 66 9.179 4.629 -3.730 1.00 0.00 C ATOM 998 O CYS A 66 9.836 4.093 -2.838 1.00 0.00 O ATOM 999 CB CYS A 66 7.487 6.192 -2.753 1.00 0.00 C ATOM 1000 SG CYS A 66 8.243 6.169 -1.095 1.00 0.00 S ATOM 0 H CYS A 66 6.908 3.914 -1.873 1.00 0.00 H new ATOM 0 HA CYS A 66 7.235 5.017 -4.534 1.00 0.00 H new ATOM 0 HB2 CYS A 66 7.905 7.024 -3.319 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.418 6.380 -2.651 1.00 0.00 H new ATOM 1005 N LYS A 67 9.706 5.003 -4.891 1.00 0.00 N ATOM 1006 CA LYS A 67 11.119 4.801 -5.190 1.00 0.00 C ATOM 1007 C LYS A 67 11.964 4.905 -3.924 1.00 0.00 C ATOM 1008 O LYS A 67 12.741 4.010 -3.592 1.00 0.00 O ATOM 1009 CB LYS A 67 11.595 5.828 -6.220 1.00 0.00 C ATOM 1010 CG LYS A 67 11.666 5.283 -7.635 1.00 0.00 C ATOM 1011 CD LYS A 67 10.284 4.966 -8.181 1.00 0.00 C ATOM 1012 CE LYS A 67 10.364 4.163 -9.470 1.00 0.00 C ATOM 1013 NZ LYS A 67 10.725 2.740 -9.216 1.00 0.00 N ATOM 0 H LYS A 67 9.176 5.448 -5.640 1.00 0.00 H new ATOM 0 HA LYS A 67 11.238 3.799 -5.603 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.922 6.685 -6.203 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.581 6.191 -5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.156 6.011 -8.282 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.279 4.382 -7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.717 4.406 -7.437 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.742 5.894 -8.362 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.405 4.208 -9.986 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.104 4.613 -10.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.534 2.475 -9.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.981 2.620 -8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.913 2.130 -9.441 1.00 0.00 H new ATOM 1027 N PRO A 68 11.808 6.022 -3.198 1.00 0.00 N ATOM 1028 CA PRO A 68 12.547 6.269 -1.956 1.00 0.00 C ATOM 1029 C PRO A 68 12.509 5.072 -1.012 1.00 0.00 C ATOM 1030 O PRO A 68 13.537 4.454 -0.735 1.00 0.00 O ATOM 1031 CB PRO A 68 11.813 7.461 -1.338 1.00 0.00 C ATOM 1032 CG PRO A 68 11.197 8.168 -2.495 1.00 0.00 C ATOM 1033 CD PRO A 68 10.899 7.131 -3.534 1.00 0.00 C ATOM 0 HA PRO A 68 13.606 6.452 -2.141 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.056 7.134 -0.626 1.00 0.00 H new ATOM 0 HB3 PRO A 68 12.500 8.112 -0.797 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.285 8.683 -2.191 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.875 8.925 -2.889 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.856 6.817 -3.498 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.084 7.508 -4.540 1.00 0.00 H new ATOM 1041 N HIS A 69 11.317 4.749 -0.521 1.00 0.00 N ATOM 1042 CA HIS A 69 11.145 3.625 0.392 1.00 0.00 C ATOM 1043 C HIS A 69 11.572 2.318 -0.269 1.00 0.00 C ATOM 1044 O HIS A 69 12.222 1.479 0.355 1.00 0.00 O ATOM 1045 CB HIS A 69 9.688 3.528 0.847 1.00 0.00 C ATOM 1046 CG HIS A 69 9.375 4.376 2.041 1.00 0.00 C ATOM 1047 ND1 HIS A 69 8.175 5.036 2.201 1.00 0.00 N ATOM 1048 CD2 HIS A 69 10.114 4.670 3.136 1.00 0.00 C ATOM 1049 CE1 HIS A 69 8.190 5.700 3.343 1.00 0.00 C ATOM 1050 NE2 HIS A 69 9.355 5.494 3.930 1.00 0.00 N ATOM 0 H HIS A 69 10.456 5.250 -0.740 1.00 0.00 H new ATOM 0 HA HIS A 69 11.779 3.796 1.262 1.00 0.00 H new ATOM 0 HB2 HIS A 69 9.038 3.822 0.023 1.00 0.00 H new ATOM 0 HB3 HIS A 69 9.457 2.488 1.080 1.00 0.00 H new ATOM 0 HD2 HIS A 69 11.114 4.321 3.346 1.00 0.00 H new ATOM 0 HE1 HIS A 69 7.386 6.308 3.731 1.00 0.00 H new ATOM 0 HE2 HIS A 69 9.644 5.884 4.827 1.00 0.00 H new ATOM 1058 N PHE A 70 11.202 2.152 -1.534 1.00 0.00 N ATOM 1059 CA PHE A 70 11.546 0.947 -2.280 1.00 0.00 C ATOM 1060 C PHE A 70 13.049 0.690 -2.236 1.00 0.00 C ATOM 1061 O PHE A 70 13.509 -0.263 -1.609 1.00 0.00 O ATOM 1062 CB PHE A 70 11.080 1.069 -3.732 1.00 0.00 C ATOM 1063 CG PHE A 70 11.581 -0.036 -4.618 1.00 0.00 C ATOM 1064 CD1 PHE A 70 12.834 0.042 -5.203 1.00 0.00 C ATOM 1065 CD2 PHE A 70 10.798 -1.152 -4.865 1.00 0.00 C ATOM 1066 CE1 PHE A 70 13.299 -0.973 -6.018 1.00 0.00 C ATOM 1067 CE2 PHE A 70 11.257 -2.170 -5.679 1.00 0.00 C ATOM 1068 CZ PHE A 70 12.508 -2.080 -6.257 1.00 0.00 C ATOM 0 H PHE A 70 10.664 2.837 -2.065 1.00 0.00 H new ATOM 0 HA PHE A 70 11.037 0.104 -1.813 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.990 1.077 -3.756 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.415 2.026 -4.133 1.00 0.00 H new ATOM 0 HD1 PHE A 70 13.455 0.906 -5.020 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.818 -1.227 -4.417 1.00 0.00 H new ATOM 0 HE1 PHE A 70 14.279 -0.901 -6.467 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.638 -3.035 -5.863 1.00 0.00 H new ATOM 0 HZ PHE A 70 12.867 -2.874 -6.895 1.00 0.00 H new ATOM 1078 N ASN A 71 13.810 1.549 -2.908 1.00 0.00 N ATOM 1079 CA ASN A 71 15.261 1.415 -2.948 1.00 0.00 C ATOM 1080 C ASN A 71 15.826 1.196 -1.547 1.00 0.00 C ATOM 1081 O ASN A 71 16.946 0.712 -1.389 1.00 0.00 O ATOM 1082 CB ASN A 71 15.892 2.661 -3.574 1.00 0.00 C ATOM 1083 CG ASN A 71 15.621 2.759 -5.063 1.00 0.00 C ATOM 1084 OD1 ASN A 71 15.389 1.751 -5.731 1.00 0.00 O ATOM 1085 ND2 ASN A 71 15.649 3.977 -5.590 1.00 0.00 N ATOM 0 H ASN A 71 13.445 2.345 -3.432 1.00 0.00 H new ATOM 0 HA ASN A 71 15.504 0.546 -3.559 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.504 3.550 -3.077 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.968 2.645 -3.403 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.474 4.106 -6.587 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.846 4.784 -4.998 1.00 0.00 H new ATOM 1092 N GLN A 72 15.041 1.554 -0.536 1.00 0.00 N ATOM 1093 CA GLN A 72 15.463 1.396 0.851 1.00 0.00 C ATOM 1094 C GLN A 72 15.141 -0.004 1.362 1.00 0.00 C ATOM 1095 O GLN A 72 16.035 -0.832 1.543 1.00 0.00 O ATOM 1096 CB GLN A 72 14.785 2.444 1.735 1.00 0.00 C ATOM 1097 CG GLN A 72 15.061 2.259 3.218 1.00 0.00 C ATOM 1098 CD GLN A 72 14.863 3.535 4.012 1.00 0.00 C ATOM 1099 OE1 GLN A 72 15.777 4.352 4.134 1.00 0.00 O ATOM 1100 NE2 GLN A 72 13.666 3.714 4.557 1.00 0.00 N ATOM 0 H GLN A 72 14.110 1.955 -0.651 1.00 0.00 H new ATOM 0 HA GLN A 72 16.543 1.539 0.894 1.00 0.00 H new ATOM 0 HB2 GLN A 72 15.122 3.435 1.432 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.709 2.408 1.567 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.403 1.484 3.612 1.00 0.00 H new ATOM 0 HG3 GLN A 72 16.084 1.907 3.352 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.938 3.011 4.430 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.474 4.554 5.102 1.00 0.00 H new ATOM 1109 N LEU A 73 13.859 -0.263 1.593 1.00 0.00 N ATOM 1110 CA LEU A 73 13.417 -1.564 2.084 1.00 0.00 C ATOM 1111 C LEU A 73 13.853 -2.679 1.139 1.00 0.00 C ATOM 1112 O LEU A 73 14.242 -3.762 1.578 1.00 0.00 O ATOM 1113 CB LEU A 73 11.896 -1.581 2.244 1.00 0.00 C ATOM 1114 CG LEU A 73 11.287 -0.398 2.998 1.00 0.00 C ATOM 1115 CD1 LEU A 73 9.821 -0.230 2.631 1.00 0.00 C ATOM 1116 CD2 LEU A 73 11.445 -0.584 4.500 1.00 0.00 C ATOM 0 H LEU A 73 13.107 0.411 1.448 1.00 0.00 H new ATOM 0 HA LEU A 73 13.880 -1.735 3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.447 -1.624 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.615 -2.499 2.761 1.00 0.00 H new ATOM 0 HG LEU A 73 11.820 0.507 2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.404 0.616 3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.732 -0.050 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.274 -1.136 2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.006 0.267 5.020 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.938 -1.498 4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.504 -0.654 4.749 1.00 0.00 H new ATOM 1128 N PHE A 74 13.788 -2.406 -0.160 1.00 0.00 N ATOM 1129 CA PHE A 74 14.177 -3.386 -1.167 1.00 0.00 C ATOM 1130 C PHE A 74 15.694 -3.554 -1.205 1.00 0.00 C ATOM 1131 O PHE A 74 16.217 -4.637 -0.942 1.00 0.00 O ATOM 1132 CB PHE A 74 13.665 -2.963 -2.546 1.00 0.00 C ATOM 1133 CG PHE A 74 12.169 -3.002 -2.667 1.00 0.00 C ATOM 1134 CD1 PHE A 74 11.373 -2.221 -1.845 1.00 0.00 C ATOM 1135 CD2 PHE A 74 11.558 -3.821 -3.603 1.00 0.00 C ATOM 1136 CE1 PHE A 74 9.995 -2.255 -1.955 1.00 0.00 C ATOM 1137 CE2 PHE A 74 10.181 -3.859 -3.718 1.00 0.00 C ATOM 1138 CZ PHE A 74 9.399 -3.076 -2.892 1.00 0.00 C ATOM 0 H PHE A 74 13.470 -1.514 -0.540 1.00 0.00 H new ATOM 0 HA PHE A 74 13.729 -4.343 -0.899 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.013 -1.952 -2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.100 -3.616 -3.302 1.00 0.00 H new ATOM 0 HD1 PHE A 74 11.834 -1.578 -1.110 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.165 -4.437 -4.250 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.386 -1.640 -1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.717 -4.500 -4.453 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.323 -3.106 -2.979 1.00 0.00 H new ATOM 1148 N LYS A 75 16.394 -2.475 -1.536 1.00 0.00 N ATOM 1149 CA LYS A 75 17.850 -2.500 -1.608 1.00 0.00 C ATOM 1150 C LYS A 75 18.466 -2.404 -0.216 1.00 0.00 C ATOM 1151 O LYS A 75 17.760 -2.461 0.791 1.00 0.00 O ATOM 1152 CB LYS A 75 18.358 -1.350 -2.482 1.00 0.00 C ATOM 1153 CG LYS A 75 19.517 -1.738 -3.384 1.00 0.00 C ATOM 1154 CD LYS A 75 20.364 -0.531 -3.753 1.00 0.00 C ATOM 1155 CE LYS A 75 21.819 -0.918 -3.971 1.00 0.00 C ATOM 1156 NZ LYS A 75 22.064 -1.392 -5.361 1.00 0.00 N ATOM 0 H LYS A 75 15.976 -1.571 -1.759 1.00 0.00 H new ATOM 0 HA LYS A 75 18.150 -3.448 -2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 75 17.537 -0.982 -3.097 1.00 0.00 H new ATOM 0 HB3 LYS A 75 18.669 -0.526 -1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 75 20.138 -2.480 -2.882 1.00 0.00 H new ATOM 0 HG3 LYS A 75 19.133 -2.205 -4.291 1.00 0.00 H new ATOM 0 HD2 LYS A 75 19.969 -0.071 -4.659 1.00 0.00 H new ATOM 0 HD3 LYS A 75 20.299 0.216 -2.962 1.00 0.00 H new ATOM 0 HE2 LYS A 75 22.458 -0.060 -3.762 1.00 0.00 H new ATOM 0 HE3 LYS A 75 22.096 -1.702 -3.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 23.067 -1.646 -5.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 21.473 -2.226 -5.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 21.824 -0.636 -6.033 1.00 0.00 H new ATOM 1170 N SER A 76 19.786 -2.258 -0.167 1.00 0.00 N ATOM 1171 CA SER A 76 20.497 -2.157 1.103 1.00 0.00 C ATOM 1172 C SER A 76 20.576 -3.516 1.791 1.00 0.00 C ATOM 1173 O SER A 76 20.362 -3.628 2.999 1.00 0.00 O ATOM 1174 CB SER A 76 19.805 -1.147 2.020 1.00 0.00 C ATOM 1175 OG SER A 76 19.451 0.027 1.311 1.00 0.00 O ATOM 0 H SER A 76 20.385 -2.207 -0.991 1.00 0.00 H new ATOM 0 HA SER A 76 21.511 -1.814 0.897 1.00 0.00 H new ATOM 0 HB2 SER A 76 18.912 -1.597 2.453 1.00 0.00 H new ATOM 0 HB3 SER A 76 20.466 -0.890 2.848 1.00 0.00 H new ATOM 0 HG SER A 76 19.009 0.656 1.919 1.00 0.00 H new ATOM 1181 N LYS A 77 20.883 -4.549 1.014 1.00 0.00 N ATOM 1182 CA LYS A 77 20.992 -5.902 1.546 1.00 0.00 C ATOM 1183 C LYS A 77 22.345 -6.516 1.201 1.00 0.00 C ATOM 1184 O LYS A 77 22.978 -6.134 0.218 1.00 0.00 O ATOM 1185 CB LYS A 77 19.866 -6.781 0.995 1.00 0.00 C ATOM 1186 CG LYS A 77 19.780 -8.145 1.657 1.00 0.00 C ATOM 1187 CD LYS A 77 19.249 -8.044 3.077 1.00 0.00 C ATOM 1188 CE LYS A 77 17.730 -7.973 3.100 1.00 0.00 C ATOM 1189 NZ LYS A 77 17.110 -9.322 2.981 1.00 0.00 N ATOM 0 H LYS A 77 21.061 -4.475 0.012 1.00 0.00 H new ATOM 0 HA LYS A 77 20.904 -5.847 2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 77 18.916 -6.263 1.124 1.00 0.00 H new ATOM 0 HB3 LYS A 77 20.013 -6.915 -0.077 1.00 0.00 H new ATOM 0 HG2 LYS A 77 19.131 -8.795 1.070 1.00 0.00 H new ATOM 0 HG3 LYS A 77 20.767 -8.607 1.669 1.00 0.00 H new ATOM 0 HD2 LYS A 77 19.583 -8.907 3.654 1.00 0.00 H new ATOM 0 HD3 LYS A 77 19.663 -7.159 3.559 1.00 0.00 H new ATOM 0 HE2 LYS A 77 17.402 -7.503 4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 77 17.384 -7.341 2.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 16.074 -9.231 3.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 17.402 -9.760 2.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 17.420 -9.918 3.775 1.00 0.00 H new ATOM 1203 N GLY A 78 22.782 -7.470 2.017 1.00 0.00 N ATOM 1204 CA GLY A 78 24.057 -8.122 1.780 1.00 0.00 C ATOM 1205 C GLY A 78 24.330 -8.343 0.305 1.00 0.00 C ATOM 1206 O GLY A 78 23.402 -8.439 -0.497 1.00 0.00 O ATOM 0 H GLY A 78 22.276 -7.803 2.838 1.00 0.00 H new ATOM 0 HA2 GLY A 78 24.856 -7.517 2.208 1.00 0.00 H new ATOM 0 HA3 GLY A 78 24.073 -9.081 2.297 1.00 0.00 H new ATOM 1210 N ASN A 79 25.607 -8.422 -0.053 1.00 0.00 N ATOM 1211 CA ASN A 79 26.000 -8.630 -1.442 1.00 0.00 C ATOM 1212 C ASN A 79 25.098 -9.661 -2.113 1.00 0.00 C ATOM 1213 O ASN A 79 25.203 -10.859 -1.850 1.00 0.00 O ATOM 1214 CB ASN A 79 27.459 -9.086 -1.518 1.00 0.00 C ATOM 1215 CG ASN A 79 28.340 -8.377 -0.508 1.00 0.00 C ATOM 1216 OD1 ASN A 79 28.810 -7.265 -0.751 1.00 0.00 O ATOM 1217 ND2 ASN A 79 28.568 -9.018 0.632 1.00 0.00 N ATOM 0 H ASN A 79 26.387 -8.345 0.599 1.00 0.00 H new ATOM 0 HA ASN A 79 25.895 -7.682 -1.970 1.00 0.00 H new ATOM 0 HB2 ASN A 79 27.510 -10.162 -1.349 1.00 0.00 H new ATOM 0 HB3 ASN A 79 27.842 -8.903 -2.522 1.00 0.00 H new ATOM 0 HD21 ASN A 79 29.153 -8.590 1.349 1.00 0.00 H new ATOM 0 HD22 ASN A 79 28.158 -9.938 0.790 1.00 0.00 H new ATOM 1224 N TYR A 80 24.211 -9.187 -2.982 1.00 0.00 N ATOM 1225 CA TYR A 80 23.289 -10.066 -3.690 1.00 0.00 C ATOM 1226 C TYR A 80 23.003 -9.540 -5.093 1.00 0.00 C ATOM 1227 O TYR A 80 23.239 -8.368 -5.389 1.00 0.00 O ATOM 1228 CB TYR A 80 21.981 -10.204 -2.909 1.00 0.00 C ATOM 1229 CG TYR A 80 21.991 -11.336 -1.907 1.00 0.00 C ATOM 1230 CD1 TYR A 80 22.092 -12.658 -2.324 1.00 0.00 C ATOM 1231 CD2 TYR A 80 21.897 -11.085 -0.544 1.00 0.00 C ATOM 1232 CE1 TYR A 80 22.100 -13.696 -1.412 1.00 0.00 C ATOM 1233 CE2 TYR A 80 21.906 -12.116 0.375 1.00 0.00 C ATOM 1234 CZ TYR A 80 22.008 -13.420 -0.064 1.00 0.00 C ATOM 1235 OH TYR A 80 22.016 -14.450 0.848 1.00 0.00 O ATOM 0 H TYR A 80 24.112 -8.198 -3.213 1.00 0.00 H new ATOM 0 HA TYR A 80 23.758 -11.046 -3.778 1.00 0.00 H new ATOM 0 HB2 TYR A 80 21.779 -9.269 -2.386 1.00 0.00 H new ATOM 0 HB3 TYR A 80 21.162 -10.359 -3.612 1.00 0.00 H new ATOM 0 HD1 TYR A 80 22.165 -12.878 -3.379 1.00 0.00 H new ATOM 0 HD2 TYR A 80 21.815 -10.066 -0.197 1.00 0.00 H new ATOM 0 HE1 TYR A 80 22.178 -14.718 -1.753 1.00 0.00 H new ATOM 0 HE2 TYR A 80 21.834 -11.903 1.431 1.00 0.00 H new ATOM 0 HH TYR A 80 21.945 -14.085 1.755 1.00 0.00 H new ATOM 1245 N ASP A 81 22.493 -10.414 -5.953 1.00 0.00 N ATOM 1246 CA ASP A 81 22.172 -10.039 -7.325 1.00 0.00 C ATOM 1247 C ASP A 81 20.663 -9.951 -7.526 1.00 0.00 C ATOM 1248 O ASP A 81 20.167 -10.087 -8.644 1.00 0.00 O ATOM 1249 CB ASP A 81 22.772 -11.048 -8.306 1.00 0.00 C ATOM 1250 CG ASP A 81 23.152 -10.414 -9.629 1.00 0.00 C ATOM 1251 OD1 ASP A 81 22.375 -9.575 -10.131 1.00 0.00 O ATOM 1252 OD2 ASP A 81 24.228 -10.755 -10.163 1.00 0.00 O ATOM 0 H ASP A 81 22.293 -11.388 -5.724 1.00 0.00 H new ATOM 0 HA ASP A 81 22.603 -9.057 -7.517 1.00 0.00 H new ATOM 0 HB2 ASP A 81 23.655 -11.504 -7.858 1.00 0.00 H new ATOM 0 HB3 ASP A 81 22.054 -11.849 -8.483 1.00 0.00 H new ATOM 1257 N GLU A 82 19.938 -9.723 -6.435 1.00 0.00 N ATOM 1258 CA GLU A 82 18.485 -9.619 -6.493 1.00 0.00 C ATOM 1259 C GLU A 82 18.009 -8.304 -5.883 1.00 0.00 C ATOM 1260 O GLU A 82 17.029 -8.270 -5.140 1.00 0.00 O ATOM 1261 CB GLU A 82 17.838 -10.797 -5.761 1.00 0.00 C ATOM 1262 CG GLU A 82 17.979 -12.121 -6.493 1.00 0.00 C ATOM 1263 CD GLU A 82 17.334 -12.100 -7.865 1.00 0.00 C ATOM 1264 OE1 GLU A 82 16.093 -12.222 -7.940 1.00 0.00 O ATOM 1265 OE2 GLU A 82 18.070 -11.961 -8.864 1.00 0.00 O ATOM 0 H GLU A 82 20.333 -9.607 -5.502 1.00 0.00 H new ATOM 0 HA GLU A 82 18.186 -9.643 -7.541 1.00 0.00 H new ATOM 0 HB2 GLU A 82 18.286 -10.889 -4.772 1.00 0.00 H new ATOM 0 HB3 GLU A 82 16.779 -10.584 -5.613 1.00 0.00 H new ATOM 0 HG2 GLU A 82 19.037 -12.364 -6.596 1.00 0.00 H new ATOM 0 HG3 GLU A 82 17.527 -12.912 -5.895 1.00 0.00 H new ATOM 1272 N GLY A 83 18.712 -7.221 -6.203 1.00 0.00 N ATOM 1273 CA GLY A 83 18.347 -5.918 -5.678 1.00 0.00 C ATOM 1274 C GLY A 83 19.155 -4.796 -6.300 1.00 0.00 C ATOM 1275 O GLY A 83 20.042 -4.231 -5.660 1.00 0.00 O ATOM 0 H GLY A 83 19.527 -7.223 -6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 83 17.287 -5.741 -5.858 1.00 0.00 H new ATOM 0 HA3 GLY A 83 18.493 -5.911 -4.598 1.00 0.00 H new ATOM 1279 N PHE A 84 18.848 -4.473 -7.552 1.00 0.00 N ATOM 1280 CA PHE A 84 19.554 -3.412 -8.262 1.00 0.00 C ATOM 1281 C PHE A 84 18.907 -2.056 -7.996 1.00 0.00 C ATOM 1282 O PHE A 84 17.684 -1.944 -7.918 1.00 0.00 O ATOM 1283 CB PHE A 84 19.568 -3.698 -9.765 1.00 0.00 C ATOM 1284 CG PHE A 84 20.580 -2.884 -10.520 1.00 0.00 C ATOM 1285 CD1 PHE A 84 21.881 -3.336 -10.669 1.00 0.00 C ATOM 1286 CD2 PHE A 84 20.229 -1.666 -11.080 1.00 0.00 C ATOM 1287 CE1 PHE A 84 22.814 -2.589 -11.364 1.00 0.00 C ATOM 1288 CE2 PHE A 84 21.158 -0.915 -11.776 1.00 0.00 C ATOM 1289 CZ PHE A 84 22.452 -1.376 -11.917 1.00 0.00 C ATOM 0 H PHE A 84 18.116 -4.930 -8.096 1.00 0.00 H new ATOM 0 HA PHE A 84 20.580 -3.383 -7.895 1.00 0.00 H new ATOM 0 HB2 PHE A 84 19.774 -4.757 -9.924 1.00 0.00 H new ATOM 0 HB3 PHE A 84 18.577 -3.501 -10.174 1.00 0.00 H new ATOM 0 HD1 PHE A 84 22.170 -4.283 -10.237 1.00 0.00 H new ATOM 0 HD2 PHE A 84 19.219 -1.299 -10.972 1.00 0.00 H new ATOM 0 HE1 PHE A 84 23.825 -2.953 -11.474 1.00 0.00 H new ATOM 0 HE2 PHE A 84 20.872 0.032 -12.209 1.00 0.00 H new ATOM 0 HZ PHE A 84 23.179 -0.789 -12.458 1.00 0.00 H new ATOM 1299 N GLY A 85 19.738 -1.027 -7.858 1.00 0.00 N ATOM 1300 CA GLY A 85 19.229 0.308 -7.602 1.00 0.00 C ATOM 1301 C GLY A 85 18.938 1.072 -8.879 1.00 0.00 C ATOM 1302 O GLY A 85 19.811 1.221 -9.734 1.00 0.00 O ATOM 0 H GLY A 85 20.754 -1.094 -7.919 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.318 0.238 -7.008 1.00 0.00 H new ATOM 0 HA3 GLY A 85 19.955 0.863 -7.008 1.00 0.00 H new ATOM 1306 N SER A 86 17.707 1.556 -9.009 1.00 0.00 N ATOM 1307 CA SER A 86 17.301 2.303 -10.193 1.00 0.00 C ATOM 1308 C SER A 86 16.075 3.163 -9.899 1.00 0.00 C ATOM 1309 O SER A 86 14.989 2.646 -9.637 1.00 0.00 O ATOM 1310 CB SER A 86 17.002 1.347 -11.349 1.00 0.00 C ATOM 1311 OG SER A 86 18.190 0.746 -11.834 1.00 0.00 O ATOM 0 H SER A 86 16.974 1.444 -8.309 1.00 0.00 H new ATOM 0 HA SER A 86 18.124 2.959 -10.478 1.00 0.00 H new ATOM 0 HB2 SER A 86 16.309 0.574 -11.016 1.00 0.00 H new ATOM 0 HB3 SER A 86 16.510 1.890 -12.156 1.00 0.00 H new ATOM 0 HG SER A 86 18.950 1.039 -11.289 1.00 0.00 H new ATOM 1317 N GLY A 87 16.258 4.479 -9.945 1.00 0.00 N ATOM 1318 CA GLY A 87 15.159 5.390 -9.681 1.00 0.00 C ATOM 1319 C GLY A 87 15.540 6.839 -9.910 1.00 0.00 C ATOM 1320 O GLY A 87 16.627 7.284 -9.540 1.00 0.00 O ATOM 0 H GLY A 87 17.147 4.931 -10.160 1.00 0.00 H new ATOM 0 HA2 GLY A 87 14.316 5.133 -10.323 1.00 0.00 H new ATOM 0 HA3 GLY A 87 14.826 5.264 -8.651 1.00 0.00 H new ATOM 1324 N PRO A 88 14.631 7.602 -10.536 1.00 0.00 N ATOM 1325 CA PRO A 88 14.856 9.020 -10.829 1.00 0.00 C ATOM 1326 C PRO A 88 14.854 9.880 -9.570 1.00 0.00 C ATOM 1327 O PRO A 88 14.050 9.667 -8.663 1.00 0.00 O ATOM 1328 CB PRO A 88 13.674 9.388 -11.730 1.00 0.00 C ATOM 1329 CG PRO A 88 12.606 8.413 -11.369 1.00 0.00 C ATOM 1330 CD PRO A 88 13.315 7.138 -11.005 1.00 0.00 C ATOM 0 HA PRO A 88 15.830 9.192 -11.288 1.00 0.00 H new ATOM 0 HB2 PRO A 88 13.349 10.414 -11.557 1.00 0.00 H new ATOM 0 HB3 PRO A 88 13.941 9.311 -12.784 1.00 0.00 H new ATOM 0 HG2 PRO A 88 12.009 8.780 -10.534 1.00 0.00 H new ATOM 0 HG3 PRO A 88 11.923 8.255 -12.204 1.00 0.00 H new ATOM 0 HD2 PRO A 88 12.782 6.589 -10.228 1.00 0.00 H new ATOM 0 HD3 PRO A 88 13.406 6.470 -11.862 1.00 0.00 H new ATOM 1338 N SER A 89 15.759 10.853 -9.521 1.00 0.00 N ATOM 1339 CA SER A 89 15.863 11.743 -8.371 1.00 0.00 C ATOM 1340 C SER A 89 14.486 12.243 -7.944 1.00 0.00 C ATOM 1341 O SER A 89 13.741 12.804 -8.747 1.00 0.00 O ATOM 1342 CB SER A 89 16.770 12.931 -8.699 1.00 0.00 C ATOM 1343 OG SER A 89 18.102 12.506 -8.931 1.00 0.00 O ATOM 0 H SER A 89 16.430 11.045 -10.265 1.00 0.00 H new ATOM 0 HA SER A 89 16.298 11.180 -7.545 1.00 0.00 H new ATOM 0 HB2 SER A 89 16.392 13.449 -9.580 1.00 0.00 H new ATOM 0 HB3 SER A 89 16.751 13.645 -7.876 1.00 0.00 H new ATOM 0 HG SER A 89 18.662 13.283 -9.140 1.00 0.00 H new ATOM 1349 N SER A 90 14.156 12.034 -6.674 1.00 0.00 N ATOM 1350 CA SER A 90 12.867 12.459 -6.139 1.00 0.00 C ATOM 1351 C SER A 90 13.048 13.557 -5.096 1.00 0.00 C ATOM 1352 O SER A 90 13.825 13.412 -4.153 1.00 0.00 O ATOM 1353 CB SER A 90 12.130 11.269 -5.522 1.00 0.00 C ATOM 1354 OG SER A 90 12.715 10.891 -4.288 1.00 0.00 O ATOM 0 H SER A 90 14.763 11.573 -5.996 1.00 0.00 H new ATOM 0 HA SER A 90 12.273 12.858 -6.961 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.082 11.527 -5.368 1.00 0.00 H new ATOM 0 HB3 SER A 90 12.153 10.426 -6.212 1.00 0.00 H new ATOM 0 HG SER A 90 13.349 11.581 -4.001 1.00 0.00 H new ATOM 1360 N GLY A 91 12.323 14.658 -5.273 1.00 0.00 N ATOM 1361 CA GLY A 91 12.416 15.766 -4.340 1.00 0.00 C ATOM 1362 C GLY A 91 13.068 16.988 -4.955 1.00 0.00 C ATOM 1363 O GLY A 91 13.780 16.851 -5.949 1.00 0.00 O ATOM 0 H GLY A 91 11.673 14.802 -6.046 1.00 0.00 H new ATOM 0 HA2 GLY A 91 11.417 16.028 -3.991 1.00 0.00 H new ATOM 0 HA3 GLY A 91 12.988 15.454 -3.466 1.00 0.00 H new TER 1367 GLY A 91 HETATM 1368 ZN ZN A 201 -9.473 2.552 -5.274 1.00 0.00 ZN HETATM 1369 ZN ZN A 401 6.888 5.556 0.675 1.00 0.00 ZN