USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=23 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= -2 K(o=-2.6,f=0.86) USER MOD Set 1.2: A 57 TYR OH : rot -80:sc= -0.616! USER MOD Set 2.1: A 46 SER OG : rot 14:sc= 0.923 USER MOD Set 2.2: A 65 TYR OH : rot -91:sc= 0.00168 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 17:sc= 0.823 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 K(o=0,f=-0.69) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.452 K(o=-0.45,f=-1.6) USER MOD Single : A 23 LYS NZ :NH3+ 154:sc= 0.256 (180deg=-0.00424) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0115 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= -2.74! K(o=-2.7!,f=-1.8) 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 : amide:sc= -0.935 K(o=-0.94,f=-2.4!) USER MOD Single : A 50 ASN : amide:sc= -1.29 K(o=-1.3,f=-0.78) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -5:sc= 1.06 USER MOD Single : A 56 THR OG1 : rot -54:sc= 1.26 USER MOD Single : A 59 SER OG : rot 66:sc= 0.144 USER MOD Single : A 61 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-0.55) USER MOD Single : A 67 LYS NZ :NH3+ 150:sc= 0.351 (180deg=0.0662) USER MOD Single : A 71 ASN : amide:sc= -0.82 X(o=-0.82,f=-1.2) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.018) 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+ -159:sc= -0.0341 (180deg=-0.269) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.058) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -39.273 -17.165 -10.840 1.00 0.00 N ATOM 2 CA GLY A 1 -38.743 -16.014 -11.547 1.00 0.00 C ATOM 3 C GLY A 1 -38.460 -16.309 -13.006 1.00 0.00 C ATOM 4 O GLY A 1 -37.359 -16.733 -13.359 1.00 0.00 O ATOM 0 H1 GLY A 1 -39.450 -16.911 -9.847 1.00 0.00 H new ATOM 0 H2 GLY A 1 -40.164 -17.465 -11.284 1.00 0.00 H new ATOM 0 H3 GLY A 1 -38.586 -17.944 -10.881 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -39.453 -15.190 -11.477 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -37.824 -15.685 -11.061 1.00 0.00 H new ATOM 8 N SER A 2 -39.456 -16.086 -13.857 1.00 0.00 N ATOM 9 CA SER A 2 -39.311 -16.336 -15.287 1.00 0.00 C ATOM 10 C SER A 2 -39.566 -15.064 -16.089 1.00 0.00 C ATOM 11 O SER A 2 -40.699 -14.775 -16.474 1.00 0.00 O ATOM 12 CB SER A 2 -40.275 -17.436 -15.734 1.00 0.00 C ATOM 13 OG SER A 2 -40.199 -17.644 -17.134 1.00 0.00 O ATOM 0 H SER A 2 -40.372 -15.733 -13.582 1.00 0.00 H new ATOM 0 HA SER A 2 -38.288 -16.662 -15.472 1.00 0.00 H new ATOM 0 HB2 SER A 2 -40.040 -18.364 -15.212 1.00 0.00 H new ATOM 0 HB3 SER A 2 -41.294 -17.165 -15.458 1.00 0.00 H new ATOM 0 HG SER A 2 -40.824 -18.353 -17.394 1.00 0.00 H new ATOM 19 N SER A 3 -38.502 -14.306 -16.339 1.00 0.00 N ATOM 20 CA SER A 3 -38.609 -13.062 -17.092 1.00 0.00 C ATOM 21 C SER A 3 -37.312 -12.765 -17.837 1.00 0.00 C ATOM 22 O SER A 3 -36.240 -13.230 -17.451 1.00 0.00 O ATOM 23 CB SER A 3 -38.951 -11.902 -16.156 1.00 0.00 C ATOM 24 OG SER A 3 -39.317 -10.746 -16.889 1.00 0.00 O ATOM 0 H SER A 3 -37.556 -14.532 -16.031 1.00 0.00 H new ATOM 0 HA SER A 3 -39.409 -13.176 -17.823 1.00 0.00 H new ATOM 0 HB2 SER A 3 -39.769 -12.192 -15.496 1.00 0.00 H new ATOM 0 HB3 SER A 3 -38.094 -11.678 -15.521 1.00 0.00 H new ATOM 0 HG SER A 3 -39.533 -10.019 -16.268 1.00 0.00 H new ATOM 30 N GLY A 4 -37.417 -11.985 -18.909 1.00 0.00 N ATOM 31 CA GLY A 4 -36.246 -11.638 -19.692 1.00 0.00 C ATOM 32 C GLY A 4 -35.830 -10.193 -19.505 1.00 0.00 C ATOM 33 O GLY A 4 -36.663 -9.288 -19.559 1.00 0.00 O ATOM 0 H GLY A 4 -38.293 -11.587 -19.249 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -35.419 -12.290 -19.411 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -36.451 -11.820 -20.747 1.00 0.00 H new ATOM 37 N SER A 5 -34.538 -9.974 -19.281 1.00 0.00 N ATOM 38 CA SER A 5 -34.014 -8.629 -19.079 1.00 0.00 C ATOM 39 C SER A 5 -32.896 -8.326 -20.072 1.00 0.00 C ATOM 40 O SER A 5 -32.034 -9.167 -20.329 1.00 0.00 O ATOM 41 CB SER A 5 -33.497 -8.470 -17.648 1.00 0.00 C ATOM 42 OG SER A 5 -33.215 -7.112 -17.356 1.00 0.00 O ATOM 0 H SER A 5 -33.835 -10.712 -19.235 1.00 0.00 H new ATOM 0 HA SER A 5 -34.826 -7.921 -19.246 1.00 0.00 H new ATOM 0 HB2 SER A 5 -34.239 -8.850 -16.946 1.00 0.00 H new ATOM 0 HB3 SER A 5 -32.596 -9.069 -17.515 1.00 0.00 H new ATOM 0 HG SER A 5 -32.888 -7.036 -16.435 1.00 0.00 H new ATOM 48 N SER A 6 -32.918 -7.119 -20.628 1.00 0.00 N ATOM 49 CA SER A 6 -31.909 -6.705 -21.597 1.00 0.00 C ATOM 50 C SER A 6 -31.819 -5.184 -21.671 1.00 0.00 C ATOM 51 O SER A 6 -32.789 -4.479 -21.392 1.00 0.00 O ATOM 52 CB SER A 6 -32.233 -7.277 -22.978 1.00 0.00 C ATOM 53 OG SER A 6 -31.921 -8.657 -23.045 1.00 0.00 O ATOM 0 H SER A 6 -33.623 -6.411 -20.424 1.00 0.00 H new ATOM 0 HA SER A 6 -30.944 -7.093 -21.269 1.00 0.00 H new ATOM 0 HB2 SER A 6 -33.290 -7.129 -23.197 1.00 0.00 H new ATOM 0 HB3 SER A 6 -31.671 -6.737 -23.740 1.00 0.00 H new ATOM 0 HG SER A 6 -31.816 -9.013 -22.138 1.00 0.00 H new ATOM 59 N GLY A 7 -30.647 -4.684 -22.051 1.00 0.00 N ATOM 60 CA GLY A 7 -30.451 -3.250 -22.156 1.00 0.00 C ATOM 61 C GLY A 7 -29.097 -2.810 -21.636 1.00 0.00 C ATOM 62 O GLY A 7 -29.012 -2.011 -20.705 1.00 0.00 O ATOM 0 H GLY A 7 -29.830 -5.247 -22.288 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -30.552 -2.948 -23.198 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -31.235 -2.738 -21.598 1.00 0.00 H new ATOM 66 N MET A 8 -28.035 -3.336 -22.238 1.00 0.00 N ATOM 67 CA MET A 8 -26.677 -2.992 -21.830 1.00 0.00 C ATOM 68 C MET A 8 -25.652 -3.634 -22.759 1.00 0.00 C ATOM 69 O MET A 8 -25.544 -4.858 -22.831 1.00 0.00 O ATOM 70 CB MET A 8 -26.427 -3.439 -20.388 1.00 0.00 C ATOM 71 CG MET A 8 -26.458 -4.948 -20.206 1.00 0.00 C ATOM 72 SD MET A 8 -26.446 -5.438 -18.471 1.00 0.00 S ATOM 73 CE MET A 8 -27.320 -6.999 -18.554 1.00 0.00 C ATOM 0 H MET A 8 -28.088 -4.001 -23.009 1.00 0.00 H new ATOM 0 HA MET A 8 -26.568 -1.909 -21.891 1.00 0.00 H new ATOM 0 HB2 MET A 8 -25.458 -3.062 -20.062 1.00 0.00 H new ATOM 0 HB3 MET A 8 -27.179 -2.988 -19.741 1.00 0.00 H new ATOM 0 HG2 MET A 8 -27.350 -5.350 -20.687 1.00 0.00 H new ATOM 0 HG3 MET A 8 -25.598 -5.389 -20.710 1.00 0.00 H new ATOM 0 HE1 MET A 8 -27.394 -7.428 -17.555 1.00 0.00 H new ATOM 0 HE2 MET A 8 -28.321 -6.835 -18.954 1.00 0.00 H new ATOM 0 HE3 MET A 8 -26.778 -7.685 -19.204 1.00 0.00 H new ATOM 83 N LYS A 9 -24.899 -2.800 -23.468 1.00 0.00 N ATOM 84 CA LYS A 9 -23.881 -3.285 -24.392 1.00 0.00 C ATOM 85 C LYS A 9 -22.902 -4.215 -23.684 1.00 0.00 C ATOM 86 O LYS A 9 -22.485 -3.951 -22.556 1.00 0.00 O ATOM 87 CB LYS A 9 -23.125 -2.108 -25.013 1.00 0.00 C ATOM 88 CG LYS A 9 -24.015 -1.154 -25.790 1.00 0.00 C ATOM 89 CD LYS A 9 -23.203 -0.076 -26.488 1.00 0.00 C ATOM 90 CE LYS A 9 -24.094 0.867 -27.282 1.00 0.00 C ATOM 91 NZ LYS A 9 -24.581 2.003 -26.450 1.00 0.00 N ATOM 0 H LYS A 9 -24.975 -1.784 -23.420 1.00 0.00 H new ATOM 0 HA LYS A 9 -24.380 -3.846 -25.182 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -22.618 -1.555 -24.222 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -22.353 -2.494 -25.678 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -24.591 -1.712 -26.528 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -24.731 -0.690 -25.112 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -22.638 0.492 -25.748 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -22.477 -0.541 -27.155 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -23.541 1.255 -28.138 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -24.947 0.315 -27.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -25.185 2.622 -27.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -25.130 1.635 -25.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -23.769 2.546 -26.094 1.00 0.00 H new ATOM 105 N PHE A 10 -22.538 -5.304 -24.352 1.00 0.00 N ATOM 106 CA PHE A 10 -21.607 -6.273 -23.786 1.00 0.00 C ATOM 107 C PHE A 10 -20.317 -5.592 -23.338 1.00 0.00 C ATOM 108 O PHE A 10 -19.454 -5.275 -24.156 1.00 0.00 O ATOM 109 CB PHE A 10 -21.290 -7.366 -24.809 1.00 0.00 C ATOM 110 CG PHE A 10 -22.372 -8.400 -24.937 1.00 0.00 C ATOM 111 CD1 PHE A 10 -23.507 -8.145 -25.690 1.00 0.00 C ATOM 112 CD2 PHE A 10 -22.255 -9.626 -24.303 1.00 0.00 C ATOM 113 CE1 PHE A 10 -24.504 -9.094 -25.808 1.00 0.00 C ATOM 114 CE2 PHE A 10 -23.249 -10.580 -24.418 1.00 0.00 C ATOM 115 CZ PHE A 10 -24.375 -10.314 -25.173 1.00 0.00 C ATOM 0 H PHE A 10 -22.874 -5.538 -25.286 1.00 0.00 H new ATOM 0 HA PHE A 10 -22.080 -6.726 -22.915 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -21.123 -6.904 -25.782 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -20.360 -7.858 -24.526 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -23.613 -7.194 -26.190 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -21.377 -9.839 -23.712 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -25.384 -8.882 -26.397 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -23.145 -11.532 -23.918 1.00 0.00 H new ATOM 0 HZ PHE A 10 -25.152 -11.058 -25.267 1.00 0.00 H new ATOM 125 N GLN A 11 -20.195 -5.369 -22.034 1.00 0.00 N ATOM 126 CA GLN A 11 -19.012 -4.723 -21.477 1.00 0.00 C ATOM 127 C GLN A 11 -17.879 -5.727 -21.296 1.00 0.00 C ATOM 128 O GLN A 11 -16.793 -5.558 -21.850 1.00 0.00 O ATOM 129 CB GLN A 11 -19.347 -4.067 -20.136 1.00 0.00 C ATOM 130 CG GLN A 11 -20.414 -2.989 -20.236 1.00 0.00 C ATOM 131 CD GLN A 11 -20.895 -2.517 -18.878 1.00 0.00 C ATOM 132 OE1 GLN A 11 -20.259 -2.778 -17.856 1.00 0.00 O ATOM 133 NE2 GLN A 11 -22.022 -1.816 -18.860 1.00 0.00 N ATOM 0 H GLN A 11 -20.900 -5.626 -21.343 1.00 0.00 H new ATOM 0 HA GLN A 11 -18.684 -3.955 -22.177 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -19.682 -4.835 -19.439 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -18.440 -3.631 -19.718 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -20.016 -2.140 -20.792 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -21.261 -3.373 -20.804 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -22.517 -1.623 -19.731 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -22.393 -1.470 -17.975 1.00 0.00 H new ATOM 142 N ALA A 12 -18.139 -6.772 -20.517 1.00 0.00 N ATOM 143 CA ALA A 12 -17.141 -7.804 -20.265 1.00 0.00 C ATOM 144 C ALA A 12 -17.728 -8.946 -19.443 1.00 0.00 C ATOM 145 O ALA A 12 -18.779 -8.816 -18.816 1.00 0.00 O ATOM 146 CB ALA A 12 -15.933 -7.208 -19.557 1.00 0.00 C ATOM 0 H ALA A 12 -19.032 -6.926 -20.050 1.00 0.00 H new ATOM 0 HA ALA A 12 -16.822 -8.209 -21.225 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -15.196 -7.990 -19.375 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -15.492 -6.431 -20.182 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -16.245 -6.775 -18.606 1.00 0.00 H new ATOM 152 N PRO A 13 -17.035 -10.095 -19.444 1.00 0.00 N ATOM 153 CA PRO A 13 -17.469 -11.283 -18.703 1.00 0.00 C ATOM 154 C PRO A 13 -17.351 -11.099 -17.194 1.00 0.00 C ATOM 155 O PRO A 13 -17.799 -11.945 -16.420 1.00 0.00 O ATOM 156 CB PRO A 13 -16.509 -12.373 -19.186 1.00 0.00 C ATOM 157 CG PRO A 13 -15.290 -11.637 -19.623 1.00 0.00 C ATOM 158 CD PRO A 13 -15.773 -10.322 -20.169 1.00 0.00 C ATOM 0 HA PRO A 13 -18.520 -11.513 -18.880 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -16.280 -13.080 -18.389 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -16.941 -12.946 -20.006 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -14.606 -11.485 -18.788 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -14.746 -12.199 -20.383 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -15.055 -9.523 -19.986 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -15.931 -10.368 -21.246 1.00 0.00 H new ATOM 166 N ALA A 14 -16.747 -9.990 -16.783 1.00 0.00 N ATOM 167 CA ALA A 14 -16.573 -9.695 -15.366 1.00 0.00 C ATOM 168 C ALA A 14 -15.929 -8.328 -15.164 1.00 0.00 C ATOM 169 O ALA A 14 -14.728 -8.159 -15.377 1.00 0.00 O ATOM 170 CB ALA A 14 -15.737 -10.778 -14.700 1.00 0.00 C ATOM 0 H ALA A 14 -16.370 -9.280 -17.411 1.00 0.00 H new ATOM 0 HA ALA A 14 -17.559 -9.675 -14.901 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.615 -10.545 -13.642 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -16.238 -11.740 -14.804 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.758 -10.826 -15.176 1.00 0.00 H new ATOM 176 N ARG A 15 -16.735 -7.353 -14.755 1.00 0.00 N ATOM 177 CA ARG A 15 -16.243 -6.000 -14.527 1.00 0.00 C ATOM 178 C ARG A 15 -14.947 -6.021 -13.722 1.00 0.00 C ATOM 179 O ARG A 15 -14.534 -7.066 -13.220 1.00 0.00 O ATOM 180 CB ARG A 15 -17.298 -5.168 -13.795 1.00 0.00 C ATOM 181 CG ARG A 15 -17.346 -5.426 -12.298 1.00 0.00 C ATOM 182 CD ARG A 15 -18.281 -4.456 -11.594 1.00 0.00 C ATOM 183 NE ARG A 15 -18.912 -5.055 -10.421 1.00 0.00 N ATOM 184 CZ ARG A 15 -20.057 -4.627 -9.903 1.00 0.00 C ATOM 185 NH1 ARG A 15 -20.695 -3.603 -10.452 1.00 0.00 N ATOM 186 NH2 ARG A 15 -20.568 -5.225 -8.834 1.00 0.00 N ATOM 0 H ARG A 15 -17.731 -7.475 -14.575 1.00 0.00 H new ATOM 0 HA ARG A 15 -16.040 -5.545 -15.497 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.098 -4.110 -13.967 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -18.278 -5.381 -14.223 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -17.676 -6.449 -12.115 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -16.344 -5.335 -11.880 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -17.723 -3.570 -11.292 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -19.051 -4.126 -12.291 1.00 0.00 H new ATOM 0 HE ARG A 15 -18.447 -5.846 -9.975 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -20.306 -3.142 -11.275 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -21.575 -3.276 -10.052 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -20.081 -6.014 -8.410 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -21.448 -4.895 -8.437 1.00 0.00 H new ATOM 200 N GLU A 16 -14.311 -4.860 -13.603 1.00 0.00 N ATOM 201 CA GLU A 16 -13.061 -4.746 -12.861 1.00 0.00 C ATOM 202 C GLU A 16 -13.275 -4.000 -11.547 1.00 0.00 C ATOM 203 O GLU A 16 -14.229 -3.235 -11.401 1.00 0.00 O ATOM 204 CB GLU A 16 -12.006 -4.026 -13.702 1.00 0.00 C ATOM 205 CG GLU A 16 -11.287 -4.935 -14.685 1.00 0.00 C ATOM 206 CD GLU A 16 -10.217 -5.780 -14.023 1.00 0.00 C ATOM 207 OE1 GLU A 16 -10.360 -6.083 -12.820 1.00 0.00 O ATOM 208 OE2 GLU A 16 -9.236 -6.139 -14.707 1.00 0.00 O ATOM 0 H GLU A 16 -14.641 -3.985 -14.011 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.710 -5.753 -12.635 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.483 -3.215 -14.252 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.272 -3.571 -13.037 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.014 -5.588 -15.168 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.833 -4.329 -15.469 1.00 0.00 H new ATOM 215 N THR A 17 -12.381 -4.230 -10.590 1.00 0.00 N ATOM 216 CA THR A 17 -12.472 -3.583 -9.287 1.00 0.00 C ATOM 217 C THR A 17 -11.097 -3.147 -8.793 1.00 0.00 C ATOM 218 O THR A 17 -10.083 -3.762 -9.124 1.00 0.00 O ATOM 219 CB THR A 17 -13.110 -4.515 -8.240 1.00 0.00 C ATOM 220 OG1 THR A 17 -14.019 -5.419 -8.878 1.00 0.00 O ATOM 221 CG2 THR A 17 -13.846 -3.713 -7.178 1.00 0.00 C ATOM 0 H THR A 17 -11.585 -4.860 -10.693 1.00 0.00 H new ATOM 0 HA THR A 17 -13.105 -2.705 -9.414 1.00 0.00 H new ATOM 0 HB THR A 17 -12.314 -5.082 -7.757 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.419 -6.009 -8.206 1.00 0.00 H new ATOM 0 HG21 THR A 17 -14.288 -4.393 -6.450 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.145 -3.047 -6.674 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.633 -3.123 -7.648 1.00 0.00 H new ATOM 229 N CYS A 18 -11.070 -2.082 -7.999 1.00 0.00 N ATOM 230 CA CYS A 18 -9.820 -1.562 -7.458 1.00 0.00 C ATOM 231 C CYS A 18 -9.225 -2.530 -6.439 1.00 0.00 C ATOM 232 O CYS A 18 -9.932 -3.055 -5.579 1.00 0.00 O ATOM 233 CB CYS A 18 -10.049 -0.196 -6.808 1.00 0.00 C ATOM 234 SG CYS A 18 -8.523 0.628 -6.252 1.00 0.00 S ATOM 0 H CYS A 18 -11.900 -1.562 -7.716 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.115 -1.450 -8.282 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -10.560 0.452 -7.520 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -10.715 -0.319 -5.954 1.00 0.00 H new ATOM 239 N VAL A 19 -7.920 -2.760 -6.542 1.00 0.00 N ATOM 240 CA VAL A 19 -7.228 -3.663 -5.629 1.00 0.00 C ATOM 241 C VAL A 19 -6.746 -2.923 -4.386 1.00 0.00 C ATOM 242 O VAL A 19 -5.876 -3.408 -3.662 1.00 0.00 O ATOM 243 CB VAL A 19 -6.024 -4.337 -6.311 1.00 0.00 C ATOM 244 CG1 VAL A 19 -6.481 -5.175 -7.495 1.00 0.00 C ATOM 245 CG2 VAL A 19 -5.006 -3.294 -6.747 1.00 0.00 C ATOM 0 H VAL A 19 -7.320 -2.334 -7.248 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.946 -4.430 -5.337 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.545 -5.000 -5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.616 -5.644 -7.964 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.169 -5.947 -7.150 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.985 -4.536 -8.220 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.162 -3.788 -7.227 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.471 -2.604 -7.451 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.655 -2.741 -5.875 1.00 0.00 H new ATOM 255 N GLU A 20 -7.317 -1.747 -4.144 1.00 0.00 N ATOM 256 CA GLU A 20 -6.944 -0.941 -2.988 1.00 0.00 C ATOM 257 C GLU A 20 -8.150 -0.690 -2.087 1.00 0.00 C ATOM 258 O GLU A 20 -8.082 -0.876 -0.872 1.00 0.00 O ATOM 259 CB GLU A 20 -6.345 0.392 -3.440 1.00 0.00 C ATOM 260 CG GLU A 20 -4.955 0.264 -4.038 1.00 0.00 C ATOM 261 CD GLU A 20 -3.859 0.368 -2.995 1.00 0.00 C ATOM 262 OE1 GLU A 20 -4.025 1.149 -2.035 1.00 0.00 O ATOM 263 OE2 GLU A 20 -2.835 -0.333 -3.139 1.00 0.00 O ATOM 0 H GLU A 20 -8.039 -1.332 -4.733 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.196 -1.493 -2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.007 0.847 -4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.303 1.069 -2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.872 -0.693 -4.553 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.813 1.042 -4.788 1.00 0.00 H new ATOM 270 N CYS A 21 -9.255 -0.267 -2.693 1.00 0.00 N ATOM 271 CA CYS A 21 -10.477 0.011 -1.948 1.00 0.00 C ATOM 272 C CYS A 21 -11.559 -1.014 -2.276 1.00 0.00 C ATOM 273 O CYS A 21 -12.562 -1.119 -1.570 1.00 0.00 O ATOM 274 CB CYS A 21 -10.982 1.420 -2.263 1.00 0.00 C ATOM 275 SG CYS A 21 -11.188 1.756 -4.041 1.00 0.00 S ATOM 0 H CYS A 21 -9.329 -0.109 -3.698 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.248 -0.056 -0.885 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.938 1.572 -1.762 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -10.285 2.146 -1.845 1.00 0.00 H new ATOM 280 N GLN A 22 -11.347 -1.767 -3.351 1.00 0.00 N ATOM 281 CA GLN A 22 -12.304 -2.783 -3.772 1.00 0.00 C ATOM 282 C GLN A 22 -13.583 -2.140 -4.299 1.00 0.00 C ATOM 283 O GLN A 22 -14.684 -2.641 -4.066 1.00 0.00 O ATOM 284 CB GLN A 22 -12.631 -3.719 -2.608 1.00 0.00 C ATOM 285 CG GLN A 22 -11.401 -4.310 -1.938 1.00 0.00 C ATOM 286 CD GLN A 22 -10.475 -4.998 -2.921 1.00 0.00 C ATOM 287 OE1 GLN A 22 -10.899 -5.428 -3.994 1.00 0.00 O ATOM 288 NE2 GLN A 22 -9.202 -5.106 -2.560 1.00 0.00 N ATOM 0 H GLN A 22 -10.522 -1.692 -3.946 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.852 -3.362 -4.577 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -13.212 -3.172 -1.865 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.262 -4.530 -2.971 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.856 -3.518 -1.424 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.714 -5.026 -1.178 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.894 -4.735 -1.661 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.532 -5.560 -3.181 1.00 0.00 H new ATOM 297 N LYS A 23 -13.432 -1.028 -5.009 1.00 0.00 N ATOM 298 CA LYS A 23 -14.574 -0.316 -5.570 1.00 0.00 C ATOM 299 C LYS A 23 -14.592 -0.430 -7.091 1.00 0.00 C ATOM 300 O LYS A 23 -13.560 -0.289 -7.748 1.00 0.00 O ATOM 301 CB LYS A 23 -14.535 1.158 -5.159 1.00 0.00 C ATOM 302 CG LYS A 23 -15.388 1.472 -3.942 1.00 0.00 C ATOM 303 CD LYS A 23 -14.678 1.102 -2.651 1.00 0.00 C ATOM 304 CE LYS A 23 -15.159 -0.238 -2.115 1.00 0.00 C ATOM 305 NZ LYS A 23 -15.105 -0.292 -0.628 1.00 0.00 N ATOM 0 H LYS A 23 -12.529 -0.599 -5.210 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.483 -0.772 -5.178 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.503 1.442 -4.952 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.872 1.769 -5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.632 2.534 -3.932 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.331 0.929 -4.008 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.603 1.061 -2.825 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.851 1.877 -1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.181 -0.417 -2.448 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.545 -1.037 -2.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.807 -0.976 -0.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.155 -0.587 -0.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.316 0.649 -0.239 1.00 0.00 H new ATOM 319 N THR A 24 -15.773 -0.684 -7.647 1.00 0.00 N ATOM 320 CA THR A 24 -15.926 -0.815 -9.090 1.00 0.00 C ATOM 321 C THR A 24 -15.178 0.291 -9.826 1.00 0.00 C ATOM 322 O THR A 24 -15.635 1.432 -9.881 1.00 0.00 O ATOM 323 CB THR A 24 -17.409 -0.779 -9.504 1.00 0.00 C ATOM 324 OG1 THR A 24 -18.178 -1.628 -8.644 1.00 0.00 O ATOM 325 CG2 THR A 24 -17.579 -1.224 -10.949 1.00 0.00 C ATOM 0 H THR A 24 -16.637 -0.803 -7.119 1.00 0.00 H new ATOM 0 HA THR A 24 -15.503 -1.781 -9.365 1.00 0.00 H new ATOM 0 HB THR A 24 -17.764 0.248 -9.413 1.00 0.00 H new ATOM 0 HG1 THR A 24 -19.120 -1.598 -8.912 1.00 0.00 H new ATOM 0 HG21 THR A 24 -18.635 -1.190 -11.218 1.00 0.00 H new ATOM 0 HG22 THR A 24 -17.016 -0.558 -11.603 1.00 0.00 H new ATOM 0 HG23 THR A 24 -17.208 -2.243 -11.062 1.00 0.00 H new ATOM 333 N VAL A 25 -14.025 -0.055 -10.391 1.00 0.00 N ATOM 334 CA VAL A 25 -13.214 0.908 -11.125 1.00 0.00 C ATOM 335 C VAL A 25 -13.832 1.226 -12.482 1.00 0.00 C ATOM 336 O VAL A 25 -14.124 0.326 -13.269 1.00 0.00 O ATOM 337 CB VAL A 25 -11.779 0.390 -11.336 1.00 0.00 C ATOM 338 CG1 VAL A 25 -10.991 1.342 -12.222 1.00 0.00 C ATOM 339 CG2 VAL A 25 -11.082 0.193 -9.998 1.00 0.00 C ATOM 0 H VAL A 25 -13.632 -0.996 -10.354 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.179 1.816 -10.523 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.831 -0.576 -11.839 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.980 0.959 -12.359 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.482 1.427 -13.192 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.946 2.324 -11.751 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.069 -0.173 -10.166 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.041 1.143 -9.466 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.636 -0.532 -9.402 1.00 0.00 H new ATOM 349 N TYR A 26 -14.029 2.512 -12.749 1.00 0.00 N ATOM 350 CA TYR A 26 -14.615 2.950 -14.011 1.00 0.00 C ATOM 351 C TYR A 26 -13.556 3.023 -15.106 1.00 0.00 C ATOM 352 O TYR A 26 -12.355 3.085 -14.842 1.00 0.00 O ATOM 353 CB TYR A 26 -15.284 4.315 -13.840 1.00 0.00 C ATOM 354 CG TYR A 26 -16.720 4.231 -13.373 1.00 0.00 C ATOM 355 CD1 TYR A 26 -17.038 3.672 -12.141 1.00 0.00 C ATOM 356 CD2 TYR A 26 -17.757 4.710 -14.163 1.00 0.00 C ATOM 357 CE1 TYR A 26 -18.348 3.593 -11.710 1.00 0.00 C ATOM 358 CE2 TYR A 26 -19.070 4.637 -13.739 1.00 0.00 C ATOM 359 CZ TYR A 26 -19.360 4.077 -12.512 1.00 0.00 C ATOM 360 OH TYR A 26 -20.667 4.001 -12.087 1.00 0.00 O ATOM 0 H TYR A 26 -13.792 3.270 -12.109 1.00 0.00 H new ATOM 0 HA TYR A 26 -15.368 2.219 -14.307 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -14.711 4.904 -13.123 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -15.250 4.848 -14.790 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -16.248 3.293 -11.510 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -17.533 5.147 -15.125 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -18.578 3.155 -10.750 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -19.865 5.016 -14.364 1.00 0.00 H new ATOM 0 HH TYR A 26 -21.256 4.387 -12.769 1.00 0.00 H new ATOM 370 N PRO A 27 -14.010 3.017 -16.368 1.00 0.00 N ATOM 371 CA PRO A 27 -13.120 3.083 -17.531 1.00 0.00 C ATOM 372 C PRO A 27 -12.454 4.447 -17.674 1.00 0.00 C ATOM 373 O PRO A 27 -11.723 4.694 -18.633 1.00 0.00 O ATOM 374 CB PRO A 27 -14.058 2.819 -18.711 1.00 0.00 C ATOM 375 CG PRO A 27 -15.402 3.245 -18.230 1.00 0.00 C ATOM 376 CD PRO A 27 -15.429 2.944 -16.757 1.00 0.00 C ATOM 0 HA PRO A 27 -12.297 2.372 -17.456 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.755 3.385 -19.592 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -14.054 1.766 -18.992 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -15.564 4.307 -18.414 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -16.192 2.707 -18.753 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -16.033 3.668 -16.210 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -15.851 1.959 -16.556 1.00 0.00 H new ATOM 384 N MET A 28 -12.712 5.330 -16.714 1.00 0.00 N ATOM 385 CA MET A 28 -12.136 6.670 -16.734 1.00 0.00 C ATOM 386 C MET A 28 -11.042 6.806 -15.679 1.00 0.00 C ATOM 387 O MET A 28 -10.151 7.645 -15.802 1.00 0.00 O ATOM 388 CB MET A 28 -13.223 7.719 -16.496 1.00 0.00 C ATOM 389 CG MET A 28 -14.157 7.905 -17.681 1.00 0.00 C ATOM 390 SD MET A 28 -14.892 9.551 -17.734 1.00 0.00 S ATOM 391 CE MET A 28 -15.990 9.386 -19.139 1.00 0.00 C ATOM 0 H MET A 28 -13.315 5.142 -15.913 1.00 0.00 H new ATOM 0 HA MET A 28 -11.692 6.834 -17.716 1.00 0.00 H new ATOM 0 HB2 MET A 28 -13.809 7.431 -15.623 1.00 0.00 H new ATOM 0 HB3 MET A 28 -12.751 8.673 -16.263 1.00 0.00 H new ATOM 0 HG2 MET A 28 -13.606 7.727 -18.604 1.00 0.00 H new ATOM 0 HG3 MET A 28 -14.950 7.159 -17.634 1.00 0.00 H new ATOM 0 HE1 MET A 28 -16.518 10.326 -19.300 1.00 0.00 H new ATOM 0 HE2 MET A 28 -15.409 9.139 -20.028 1.00 0.00 H new ATOM 0 HE3 MET A 28 -16.712 8.592 -18.945 1.00 0.00 H new ATOM 401 N GLU A 29 -11.118 5.976 -14.643 1.00 0.00 N ATOM 402 CA GLU A 29 -10.134 6.006 -13.568 1.00 0.00 C ATOM 403 C GLU A 29 -9.458 4.647 -13.409 1.00 0.00 C ATOM 404 O GLU A 29 -9.011 4.287 -12.321 1.00 0.00 O ATOM 405 CB GLU A 29 -10.798 6.414 -12.251 1.00 0.00 C ATOM 406 CG GLU A 29 -12.112 5.701 -11.985 1.00 0.00 C ATOM 407 CD GLU A 29 -12.703 6.051 -10.633 1.00 0.00 C ATOM 408 OE1 GLU A 29 -12.444 7.170 -10.144 1.00 0.00 O ATOM 409 OE2 GLU A 29 -13.426 5.205 -10.065 1.00 0.00 O ATOM 0 H GLU A 29 -11.850 5.275 -14.526 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.373 6.742 -13.828 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.111 6.210 -11.429 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.974 7.490 -12.261 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.826 5.959 -12.767 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.954 4.624 -12.040 1.00 0.00 H new ATOM 416 N ARG A 30 -9.390 3.896 -14.504 1.00 0.00 N ATOM 417 CA ARG A 30 -8.771 2.576 -14.487 1.00 0.00 C ATOM 418 C ARG A 30 -7.282 2.669 -14.806 1.00 0.00 C ATOM 419 O ARG A 30 -6.885 2.678 -15.972 1.00 0.00 O ATOM 420 CB ARG A 30 -9.462 1.653 -15.493 1.00 0.00 C ATOM 421 CG ARG A 30 -8.789 0.298 -15.638 1.00 0.00 C ATOM 422 CD ARG A 30 -9.394 -0.506 -16.778 1.00 0.00 C ATOM 423 NE ARG A 30 -8.851 -1.860 -16.842 1.00 0.00 N ATOM 424 CZ ARG A 30 -7.695 -2.161 -17.423 1.00 0.00 C ATOM 425 NH1 ARG A 30 -6.964 -1.210 -17.987 1.00 0.00 N ATOM 426 NH2 ARG A 30 -7.268 -3.418 -17.440 1.00 0.00 N ATOM 0 H ARG A 30 -9.756 4.179 -15.413 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.885 2.162 -13.485 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.497 1.504 -15.185 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.486 2.143 -16.466 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.723 0.437 -15.816 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.887 -0.259 -14.706 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.476 -0.555 -16.653 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.205 0.005 -17.722 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.389 -2.616 -16.417 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.289 -0.243 -17.976 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.077 -1.445 -18.432 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.828 -4.153 -17.007 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.380 -3.649 -17.886 1.00 0.00 H new ATOM 440 N LEU A 31 -6.462 2.740 -13.763 1.00 0.00 N ATOM 441 CA LEU A 31 -5.016 2.834 -13.931 1.00 0.00 C ATOM 442 C LEU A 31 -4.357 1.471 -13.745 1.00 0.00 C ATOM 443 O LEU A 31 -4.326 0.929 -12.639 1.00 0.00 O ATOM 444 CB LEU A 31 -4.431 3.836 -12.935 1.00 0.00 C ATOM 445 CG LEU A 31 -2.911 4.001 -12.964 1.00 0.00 C ATOM 446 CD1 LEU A 31 -2.524 5.435 -12.635 1.00 0.00 C ATOM 447 CD2 LEU A 31 -2.250 3.033 -11.993 1.00 0.00 C ATOM 0 H LEU A 31 -6.774 2.734 -12.792 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.814 3.179 -14.945 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.886 4.809 -13.120 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.724 3.533 -11.930 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.559 3.772 -13.970 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.439 5.534 -12.660 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.967 6.109 -13.368 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.889 5.691 -11.640 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.169 3.165 -12.027 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.608 3.230 -10.982 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.500 2.010 -12.273 1.00 0.00 H new ATOM 459 N LEU A 32 -3.829 0.922 -14.834 1.00 0.00 N ATOM 460 CA LEU A 32 -3.168 -0.378 -14.791 1.00 0.00 C ATOM 461 C LEU A 32 -1.808 -0.275 -14.109 1.00 0.00 C ATOM 462 O LEU A 32 -0.973 0.546 -14.488 1.00 0.00 O ATOM 463 CB LEU A 32 -3.000 -0.934 -16.206 1.00 0.00 C ATOM 464 CG LEU A 32 -3.022 -2.457 -16.336 1.00 0.00 C ATOM 465 CD1 LEU A 32 -1.874 -3.076 -15.554 1.00 0.00 C ATOM 466 CD2 LEU A 32 -4.356 -3.014 -15.859 1.00 0.00 C ATOM 0 H LEU A 32 -3.846 1.356 -15.757 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.794 -1.057 -14.212 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.793 -0.525 -16.832 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.055 -0.569 -16.608 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.899 -2.714 -17.388 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.906 -4.161 -15.658 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.926 -2.702 -15.941 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.966 -2.810 -14.501 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.354 -4.099 -15.959 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.509 -2.746 -14.814 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.162 -2.596 -16.463 1.00 0.00 H new ATOM 478 N ALA A 33 -1.591 -1.114 -13.102 1.00 0.00 N ATOM 479 CA ALA A 33 -0.331 -1.120 -12.370 1.00 0.00 C ATOM 480 C ALA A 33 0.033 -2.530 -11.915 1.00 0.00 C ATOM 481 O ALA A 33 -0.616 -3.096 -11.037 1.00 0.00 O ATOM 482 CB ALA A 33 -0.410 -0.182 -11.174 1.00 0.00 C ATOM 0 H ALA A 33 -2.272 -1.799 -12.774 1.00 0.00 H new ATOM 0 HA ALA A 33 0.452 -0.769 -13.042 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.538 -0.197 -10.637 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.616 0.831 -11.519 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.209 -0.508 -10.508 1.00 0.00 H new ATOM 488 N ASN A 34 1.076 -3.091 -12.520 1.00 0.00 N ATOM 489 CA ASN A 34 1.525 -4.435 -12.177 1.00 0.00 C ATOM 490 C ASN A 34 0.446 -5.466 -12.493 1.00 0.00 C ATOM 491 O ASN A 34 0.109 -6.303 -11.656 1.00 0.00 O ATOM 492 CB ASN A 34 1.898 -4.509 -10.695 1.00 0.00 C ATOM 493 CG ASN A 34 3.365 -4.209 -10.453 1.00 0.00 C ATOM 494 OD1 ASN A 34 4.067 -4.978 -9.796 1.00 0.00 O ATOM 495 ND2 ASN A 34 3.834 -3.086 -10.983 1.00 0.00 N ATOM 0 H ASN A 34 1.625 -2.636 -13.249 1.00 0.00 H new ATOM 0 HA ASN A 34 2.406 -4.661 -12.778 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.288 -3.801 -10.134 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.665 -5.503 -10.314 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.813 -2.831 -10.853 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.216 -2.479 -11.520 1.00 0.00 H new ATOM 502 N GLN A 35 -0.091 -5.400 -13.708 1.00 0.00 N ATOM 503 CA GLN A 35 -1.131 -6.328 -14.134 1.00 0.00 C ATOM 504 C GLN A 35 -2.296 -6.330 -13.149 1.00 0.00 C ATOM 505 O GLN A 35 -2.846 -7.383 -12.827 1.00 0.00 O ATOM 506 CB GLN A 35 -0.560 -7.741 -14.270 1.00 0.00 C ATOM 507 CG GLN A 35 0.623 -7.830 -15.220 1.00 0.00 C ATOM 508 CD GLN A 35 0.743 -9.191 -15.877 1.00 0.00 C ATOM 509 OE1 GLN A 35 0.393 -9.362 -17.045 1.00 0.00 O ATOM 510 NE2 GLN A 35 1.240 -10.168 -15.127 1.00 0.00 N ATOM 0 H GLN A 35 0.177 -4.714 -14.413 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.501 -5.999 -15.105 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.253 -8.096 -13.286 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.347 -8.410 -14.619 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.523 -7.066 -15.991 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.540 -7.613 -14.673 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.517 -9.981 -14.163 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.345 -11.106 -15.515 1.00 0.00 H new ATOM 519 N GLN A 36 -2.665 -5.145 -12.674 1.00 0.00 N ATOM 520 CA GLN A 36 -3.763 -5.012 -11.724 1.00 0.00 C ATOM 521 C GLN A 36 -4.442 -3.653 -11.865 1.00 0.00 C ATOM 522 O GLN A 36 -3.801 -2.660 -12.209 1.00 0.00 O ATOM 523 CB GLN A 36 -3.254 -5.195 -10.294 1.00 0.00 C ATOM 524 CG GLN A 36 -3.218 -6.646 -9.842 1.00 0.00 C ATOM 525 CD GLN A 36 -3.364 -6.794 -8.340 1.00 0.00 C ATOM 526 OE1 GLN A 36 -2.531 -6.311 -7.573 1.00 0.00 O ATOM 527 NE2 GLN A 36 -4.428 -7.463 -7.912 1.00 0.00 N ATOM 0 H GLN A 36 -2.220 -4.264 -12.931 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.496 -5.789 -11.943 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.251 -4.774 -10.217 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.890 -4.627 -9.615 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.018 -7.197 -10.337 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.278 -7.098 -10.158 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.093 -7.847 -8.583 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.580 -7.593 -6.912 1.00 0.00 H new ATOM 536 N VAL A 37 -5.743 -3.617 -11.596 1.00 0.00 N ATOM 537 CA VAL A 37 -6.509 -2.380 -11.691 1.00 0.00 C ATOM 538 C VAL A 37 -6.311 -1.513 -10.452 1.00 0.00 C ATOM 539 O VAL A 37 -6.597 -1.938 -9.333 1.00 0.00 O ATOM 540 CB VAL A 37 -8.013 -2.663 -11.871 1.00 0.00 C ATOM 541 CG1 VAL A 37 -8.798 -1.362 -11.934 1.00 0.00 C ATOM 542 CG2 VAL A 37 -8.251 -3.500 -13.118 1.00 0.00 C ATOM 0 H VAL A 37 -6.289 -4.430 -11.311 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.140 -1.846 -12.567 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.364 -3.229 -11.008 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.858 -1.582 -12.061 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.652 -0.804 -11.009 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -8.448 -0.766 -12.777 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.318 -3.691 -13.230 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -7.885 -2.962 -13.993 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.721 -4.448 -13.027 1.00 0.00 H new ATOM 552 N PHE A 38 -5.820 -0.296 -10.661 1.00 0.00 N ATOM 553 CA PHE A 38 -5.583 0.631 -9.561 1.00 0.00 C ATOM 554 C PHE A 38 -6.221 1.988 -9.846 1.00 0.00 C ATOM 555 O PHE A 38 -6.349 2.396 -11.000 1.00 0.00 O ATOM 556 CB PHE A 38 -4.081 0.801 -9.324 1.00 0.00 C ATOM 557 CG PHE A 38 -3.477 -0.295 -8.493 1.00 0.00 C ATOM 558 CD1 PHE A 38 -3.513 -0.232 -7.109 1.00 0.00 C ATOM 559 CD2 PHE A 38 -2.875 -1.388 -9.095 1.00 0.00 C ATOM 560 CE1 PHE A 38 -2.957 -1.239 -6.342 1.00 0.00 C ATOM 561 CE2 PHE A 38 -2.318 -2.397 -8.333 1.00 0.00 C ATOM 562 CZ PHE A 38 -2.360 -2.323 -6.955 1.00 0.00 C ATOM 0 H PHE A 38 -5.579 0.071 -11.582 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.041 0.215 -8.663 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.571 0.839 -10.287 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.905 1.758 -8.832 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.980 0.613 -6.625 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.841 -1.452 -10.173 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.990 -1.178 -5.264 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.850 -3.243 -8.815 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.927 -3.111 -6.357 1.00 0.00 H new ATOM 572 N HIS A 39 -6.621 2.682 -8.785 1.00 0.00 N ATOM 573 CA HIS A 39 -7.246 3.992 -8.920 1.00 0.00 C ATOM 574 C HIS A 39 -6.191 5.092 -9.001 1.00 0.00 C ATOM 575 O HIS A 39 -5.292 5.166 -8.162 1.00 0.00 O ATOM 576 CB HIS A 39 -8.185 4.257 -7.742 1.00 0.00 C ATOM 577 CG HIS A 39 -9.597 3.828 -7.995 1.00 0.00 C ATOM 578 ND1 HIS A 39 -10.453 3.428 -6.990 1.00 0.00 N ATOM 579 CD2 HIS A 39 -10.303 3.740 -9.146 1.00 0.00 C ATOM 580 CE1 HIS A 39 -11.624 3.110 -7.513 1.00 0.00 C ATOM 581 NE2 HIS A 39 -11.560 3.292 -8.820 1.00 0.00 N ATOM 0 H HIS A 39 -6.523 2.359 -7.823 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.824 3.997 -9.844 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.807 3.736 -6.862 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.173 5.322 -7.511 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.945 3.978 -10.137 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.487 2.761 -6.965 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.320 3.127 -9.480 1.00 0.00 H new ATOM 589 N ILE A 40 -6.306 5.942 -10.016 1.00 0.00 N ATOM 590 CA ILE A 40 -5.363 7.036 -10.206 1.00 0.00 C ATOM 591 C ILE A 40 -5.085 7.757 -8.891 1.00 0.00 C ATOM 592 O ILE A 40 -4.072 8.442 -8.749 1.00 0.00 O ATOM 593 CB ILE A 40 -5.883 8.055 -11.237 1.00 0.00 C ATOM 594 CG1 ILE A 40 -5.744 7.496 -12.654 1.00 0.00 C ATOM 595 CG2 ILE A 40 -5.132 9.372 -11.105 1.00 0.00 C ATOM 596 CD1 ILE A 40 -6.995 6.811 -13.159 1.00 0.00 C ATOM 0 H ILE A 40 -7.043 5.894 -10.719 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.439 6.594 -10.578 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.939 8.240 -11.042 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.485 8.309 -13.333 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.917 6.787 -12.676 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.511 10.082 -11.840 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.278 9.775 -10.103 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.069 9.204 -11.277 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.824 6.439 -14.169 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.243 5.977 -12.503 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.821 7.523 -13.169 1.00 0.00 H new ATOM 608 N SER A 41 -5.991 7.596 -7.931 1.00 0.00 N ATOM 609 CA SER A 41 -5.844 8.233 -6.628 1.00 0.00 C ATOM 610 C SER A 41 -5.274 7.255 -5.606 1.00 0.00 C ATOM 611 O SER A 41 -4.291 7.551 -4.926 1.00 0.00 O ATOM 612 CB SER A 41 -7.194 8.766 -6.143 1.00 0.00 C ATOM 613 OG SER A 41 -7.649 9.827 -6.964 1.00 0.00 O ATOM 0 H SER A 41 -6.834 7.030 -8.031 1.00 0.00 H new ATOM 0 HA SER A 41 -5.149 9.066 -6.734 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.928 7.960 -6.145 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.103 9.112 -5.113 1.00 0.00 H new ATOM 0 HG SER A 41 -8.514 10.148 -6.634 1.00 0.00 H new ATOM 619 N CYS A 42 -5.897 6.086 -5.503 1.00 0.00 N ATOM 620 CA CYS A 42 -5.454 5.062 -4.565 1.00 0.00 C ATOM 621 C CYS A 42 -3.967 4.768 -4.743 1.00 0.00 C ATOM 622 O CYS A 42 -3.247 4.543 -3.771 1.00 0.00 O ATOM 623 CB CYS A 42 -6.266 3.779 -4.757 1.00 0.00 C ATOM 624 SG CYS A 42 -8.029 3.943 -4.328 1.00 0.00 S ATOM 0 H CYS A 42 -6.711 5.824 -6.059 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.614 5.437 -3.554 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.184 3.462 -5.797 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.827 2.989 -4.148 1.00 0.00 H new ATOM 629 N PHE A 43 -3.515 4.771 -5.993 1.00 0.00 N ATOM 630 CA PHE A 43 -2.115 4.503 -6.300 1.00 0.00 C ATOM 631 C PHE A 43 -1.195 5.320 -5.397 1.00 0.00 C ATOM 632 O PHE A 43 -0.875 6.470 -5.696 1.00 0.00 O ATOM 633 CB PHE A 43 -1.822 4.823 -7.767 1.00 0.00 C ATOM 634 CG PHE A 43 -0.731 3.977 -8.359 1.00 0.00 C ATOM 635 CD1 PHE A 43 -0.774 2.596 -8.256 1.00 0.00 C ATOM 636 CD2 PHE A 43 0.337 4.563 -9.019 1.00 0.00 C ATOM 637 CE1 PHE A 43 0.229 1.816 -8.798 1.00 0.00 C ATOM 638 CE2 PHE A 43 1.343 3.788 -9.565 1.00 0.00 C ATOM 639 CZ PHE A 43 1.288 2.412 -9.455 1.00 0.00 C ATOM 0 H PHE A 43 -4.098 4.956 -6.809 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.926 3.445 -6.121 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.733 4.686 -8.349 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.543 5.873 -7.853 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.601 2.124 -7.746 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.384 5.638 -9.108 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.185 0.741 -8.708 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.170 4.257 -10.077 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.071 1.803 -9.882 1.00 0.00 H new ATOM 649 N ARG A 44 -0.774 4.716 -4.290 1.00 0.00 N ATOM 650 CA ARG A 44 0.107 5.387 -3.342 1.00 0.00 C ATOM 651 C ARG A 44 1.056 4.390 -2.683 1.00 0.00 C ATOM 652 O ARG A 44 0.909 3.178 -2.843 1.00 0.00 O ATOM 653 CB ARG A 44 -0.714 6.108 -2.272 1.00 0.00 C ATOM 654 CG ARG A 44 -1.745 7.070 -2.841 1.00 0.00 C ATOM 655 CD ARG A 44 -2.666 7.606 -1.756 1.00 0.00 C ATOM 656 NE ARG A 44 -3.460 8.739 -2.223 1.00 0.00 N ATOM 657 CZ ARG A 44 -4.102 9.571 -1.410 1.00 0.00 C ATOM 658 NH1 ARG A 44 -4.044 9.397 -0.097 1.00 0.00 N ATOM 659 NH2 ARG A 44 -4.805 10.579 -1.910 1.00 0.00 N ATOM 0 H ARG A 44 -1.029 3.764 -4.028 1.00 0.00 H new ATOM 0 HA ARG A 44 0.699 6.119 -3.891 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.222 5.367 -1.655 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.038 6.658 -1.617 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.237 7.900 -3.332 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.336 6.562 -3.603 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.332 6.811 -1.420 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.072 7.910 -0.894 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.525 8.901 -3.228 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.505 8.623 0.292 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.538 10.037 0.525 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.853 10.716 -2.920 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.297 11.217 -1.285 1.00 0.00 H new ATOM 673 N CYS A 45 2.030 4.908 -1.942 1.00 0.00 N ATOM 674 CA CYS A 45 3.004 4.066 -1.260 1.00 0.00 C ATOM 675 C CYS A 45 2.420 3.494 0.029 1.00 0.00 C ATOM 676 O CYS A 45 1.760 4.200 0.791 1.00 0.00 O ATOM 677 CB CYS A 45 4.271 4.864 -0.948 1.00 0.00 C ATOM 678 SG CYS A 45 5.544 3.919 -0.050 1.00 0.00 S ATOM 0 H CYS A 45 2.165 5.909 -1.799 1.00 0.00 H new ATOM 0 HA CYS A 45 3.258 3.239 -1.922 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.697 5.229 -1.883 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.000 5.739 -0.358 1.00 0.00 H new ATOM 683 N SER A 46 2.669 2.210 0.266 1.00 0.00 N ATOM 684 CA SER A 46 2.166 1.541 1.460 1.00 0.00 C ATOM 685 C SER A 46 2.977 1.942 2.689 1.00 0.00 C ATOM 686 O SER A 46 2.848 1.338 3.755 1.00 0.00 O ATOM 687 CB SER A 46 2.211 0.023 1.278 1.00 0.00 C ATOM 688 OG SER A 46 2.140 -0.643 2.527 1.00 0.00 O ATOM 0 H SER A 46 3.216 1.612 -0.353 1.00 0.00 H new ATOM 0 HA SER A 46 1.132 1.850 1.611 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.383 -0.295 0.645 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.131 -0.258 0.764 1.00 0.00 H new ATOM 0 HG SER A 46 1.856 -0.010 3.219 1.00 0.00 H new ATOM 694 N TYR A 47 3.811 2.963 2.533 1.00 0.00 N ATOM 695 CA TYR A 47 4.645 3.444 3.628 1.00 0.00 C ATOM 696 C TYR A 47 4.314 4.893 3.969 1.00 0.00 C ATOM 697 O TYR A 47 3.825 5.191 5.059 1.00 0.00 O ATOM 698 CB TYR A 47 6.125 3.319 3.262 1.00 0.00 C ATOM 699 CG TYR A 47 7.054 3.436 4.449 1.00 0.00 C ATOM 700 CD1 TYR A 47 7.043 4.568 5.256 1.00 0.00 C ATOM 701 CD2 TYR A 47 7.944 2.416 4.764 1.00 0.00 C ATOM 702 CE1 TYR A 47 7.890 4.679 6.342 1.00 0.00 C ATOM 703 CE2 TYR A 47 8.794 2.519 5.848 1.00 0.00 C ATOM 704 CZ TYR A 47 8.763 3.652 6.634 1.00 0.00 C ATOM 705 OH TYR A 47 9.609 3.759 7.714 1.00 0.00 O ATOM 0 H TYR A 47 3.928 3.474 1.658 1.00 0.00 H new ATOM 0 HA TYR A 47 4.441 2.828 4.504 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.290 2.358 2.775 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.378 4.092 2.536 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.361 5.374 5.030 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.971 1.527 4.151 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.869 5.565 6.959 1.00 0.00 H new ATOM 0 HE2 TYR A 47 9.479 1.717 6.079 1.00 0.00 H new ATOM 0 HH TYR A 47 10.158 2.950 7.781 1.00 0.00 H new ATOM 715 N CYS A 48 4.584 5.792 3.028 1.00 0.00 N ATOM 716 CA CYS A 48 4.316 7.211 3.226 1.00 0.00 C ATOM 717 C CYS A 48 2.892 7.560 2.800 1.00 0.00 C ATOM 718 O CYS A 48 2.336 8.571 3.228 1.00 0.00 O ATOM 719 CB CYS A 48 5.318 8.056 2.437 1.00 0.00 C ATOM 720 SG CYS A 48 5.623 7.458 0.743 1.00 0.00 S ATOM 0 H CYS A 48 4.989 5.562 2.120 1.00 0.00 H new ATOM 0 HA CYS A 48 4.423 7.431 4.288 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.953 9.082 2.389 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.264 8.079 2.979 1.00 0.00 H new ATOM 725 N ASN A 49 2.310 6.716 1.955 1.00 0.00 N ATOM 726 CA ASN A 49 0.951 6.935 1.471 1.00 0.00 C ATOM 727 C ASN A 49 0.873 8.203 0.627 1.00 0.00 C ATOM 728 O ASN A 49 -0.020 9.030 0.811 1.00 0.00 O ATOM 729 CB ASN A 49 -0.022 7.031 2.647 1.00 0.00 C ATOM 730 CG ASN A 49 -1.471 7.050 2.198 1.00 0.00 C ATOM 731 OD1 ASN A 49 -2.046 8.113 1.963 1.00 0.00 O ATOM 732 ND2 ASN A 49 -2.068 5.870 2.078 1.00 0.00 N ATOM 0 H ASN A 49 2.757 5.875 1.591 1.00 0.00 H new ATOM 0 HA ASN A 49 0.673 6.086 0.847 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.137 6.186 3.317 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.191 7.935 3.218 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.042 5.819 1.780 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.552 5.014 2.283 1.00 0.00 H new ATOM 739 N ASN A 50 1.814 8.350 -0.301 1.00 0.00 N ATOM 740 CA ASN A 50 1.851 9.517 -1.174 1.00 0.00 C ATOM 741 C ASN A 50 1.383 9.159 -2.581 1.00 0.00 C ATOM 742 O ASN A 50 1.538 8.023 -3.029 1.00 0.00 O ATOM 743 CB ASN A 50 3.267 10.094 -1.227 1.00 0.00 C ATOM 744 CG ASN A 50 3.789 10.473 0.145 1.00 0.00 C ATOM 745 OD1 ASN A 50 3.016 10.769 1.056 1.00 0.00 O ATOM 746 ND2 ASN A 50 5.108 10.464 0.299 1.00 0.00 N ATOM 0 H ASN A 50 2.561 7.675 -0.467 1.00 0.00 H new ATOM 0 HA ASN A 50 1.174 10.268 -0.765 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.938 9.363 -1.678 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.274 10.973 -1.871 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.518 10.709 1.200 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.711 10.212 -0.484 1.00 0.00 H new ATOM 753 N LYS A 51 0.808 10.136 -3.274 1.00 0.00 N ATOM 754 CA LYS A 51 0.318 9.927 -4.631 1.00 0.00 C ATOM 755 C LYS A 51 1.457 9.534 -5.566 1.00 0.00 C ATOM 756 O LYS A 51 2.501 10.187 -5.598 1.00 0.00 O ATOM 757 CB LYS A 51 -0.368 11.194 -5.149 1.00 0.00 C ATOM 758 CG LYS A 51 -1.859 11.238 -4.864 1.00 0.00 C ATOM 759 CD LYS A 51 -2.659 10.592 -5.983 1.00 0.00 C ATOM 760 CE LYS A 51 -2.886 11.559 -7.136 1.00 0.00 C ATOM 761 NZ LYS A 51 -4.004 12.502 -6.858 1.00 0.00 N ATOM 0 H LYS A 51 0.670 11.082 -2.917 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.407 9.113 -4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.106 12.065 -4.696 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.210 11.269 -6.225 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.066 10.726 -3.924 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.176 12.273 -4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.132 9.709 -6.345 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.620 10.253 -5.596 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.972 12.124 -7.321 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.103 10.997 -8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.126 13.144 -7.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.882 11.965 -6.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.786 13.057 -6.006 1.00 0.00 H new ATOM 775 N LEU A 52 1.249 8.465 -6.327 1.00 0.00 N ATOM 776 CA LEU A 52 2.258 7.986 -7.266 1.00 0.00 C ATOM 777 C LEU A 52 1.674 7.842 -8.667 1.00 0.00 C ATOM 778 O LEU A 52 0.499 8.132 -8.894 1.00 0.00 O ATOM 779 CB LEU A 52 2.824 6.645 -6.796 1.00 0.00 C ATOM 780 CG LEU A 52 3.401 6.619 -5.380 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.464 5.193 -4.855 1.00 0.00 C ATOM 782 CD2 LEU A 52 4.781 7.259 -5.355 1.00 0.00 C ATOM 0 H LEU A 52 0.391 7.913 -6.312 1.00 0.00 H new ATOM 0 HA LEU A 52 3.063 8.720 -7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.033 5.898 -6.858 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.606 6.340 -7.491 1.00 0.00 H new ATOM 0 HG LEU A 52 2.743 7.195 -4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.877 5.195 -3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.461 4.768 -4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.100 4.593 -5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.176 7.232 -4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.449 6.710 -6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.708 8.294 -5.688 1.00 0.00 H new ATOM 794 N SER A 53 2.501 7.390 -9.604 1.00 0.00 N ATOM 795 CA SER A 53 2.067 7.208 -10.984 1.00 0.00 C ATOM 796 C SER A 53 3.036 6.307 -11.744 1.00 0.00 C ATOM 797 O SER A 53 4.198 6.162 -11.361 1.00 0.00 O ATOM 798 CB SER A 53 1.953 8.562 -11.688 1.00 0.00 C ATOM 799 OG SER A 53 0.881 9.322 -11.159 1.00 0.00 O ATOM 0 H SER A 53 3.476 7.143 -9.433 1.00 0.00 H new ATOM 0 HA SER A 53 1.088 6.730 -10.971 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.886 9.114 -11.574 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.802 8.408 -12.756 1.00 0.00 H new ATOM 0 HG SER A 53 0.385 8.780 -10.510 1.00 0.00 H new ATOM 805 N LEU A 54 2.551 5.705 -12.824 1.00 0.00 N ATOM 806 CA LEU A 54 3.372 4.817 -13.640 1.00 0.00 C ATOM 807 C LEU A 54 4.711 5.468 -13.972 1.00 0.00 C ATOM 808 O LEU A 54 4.843 6.160 -14.981 1.00 0.00 O ATOM 809 CB LEU A 54 2.636 4.451 -14.929 1.00 0.00 C ATOM 810 CG LEU A 54 1.206 3.936 -14.763 1.00 0.00 C ATOM 811 CD1 LEU A 54 0.543 3.753 -16.119 1.00 0.00 C ATOM 812 CD2 LEU A 54 1.197 2.629 -13.983 1.00 0.00 C ATOM 0 H LEU A 54 1.593 5.816 -13.155 1.00 0.00 H new ATOM 0 HA LEU A 54 3.562 3.909 -13.068 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.611 5.331 -15.572 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.216 3.690 -15.451 1.00 0.00 H new ATOM 0 HG LEU A 54 0.637 4.676 -14.200 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.474 3.386 -15.980 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.516 4.709 -16.643 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.111 3.033 -16.708 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.171 2.277 -13.874 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.782 1.882 -14.519 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.631 2.791 -12.996 1.00 0.00 H new ATOM 824 N GLY A 55 5.704 5.239 -13.117 1.00 0.00 N ATOM 825 CA GLY A 55 7.020 5.808 -13.339 1.00 0.00 C ATOM 826 C GLY A 55 7.762 6.074 -12.044 1.00 0.00 C ATOM 827 O GLY A 55 8.991 6.001 -11.997 1.00 0.00 O ATOM 0 H GLY A 55 5.620 4.670 -12.275 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.607 5.129 -13.957 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.920 6.740 -13.895 1.00 0.00 H new ATOM 831 N THR A 56 7.016 6.385 -10.989 1.00 0.00 N ATOM 832 CA THR A 56 7.610 6.666 -9.688 1.00 0.00 C ATOM 833 C THR A 56 7.114 5.684 -8.633 1.00 0.00 C ATOM 834 O THR A 56 7.228 5.937 -7.434 1.00 0.00 O ATOM 835 CB THR A 56 7.297 8.101 -9.226 1.00 0.00 C ATOM 836 OG1 THR A 56 7.867 8.335 -7.933 1.00 0.00 O ATOM 837 CG2 THR A 56 5.795 8.337 -9.173 1.00 0.00 C ATOM 0 H THR A 56 5.998 6.449 -11.010 1.00 0.00 H new ATOM 0 HA THR A 56 8.688 6.557 -9.803 1.00 0.00 H new ATOM 0 HB THR A 56 7.733 8.794 -9.946 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.559 7.644 -7.310 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.598 9.357 -8.844 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.368 8.187 -10.165 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.341 7.636 -8.472 1.00 0.00 H new ATOM 845 N TYR A 57 6.563 4.564 -9.087 1.00 0.00 N ATOM 846 CA TYR A 57 6.047 3.544 -8.182 1.00 0.00 C ATOM 847 C TYR A 57 6.888 2.273 -8.256 1.00 0.00 C ATOM 848 O TYR A 57 7.769 2.148 -9.106 1.00 0.00 O ATOM 849 CB TYR A 57 4.589 3.225 -8.517 1.00 0.00 C ATOM 850 CG TYR A 57 4.430 2.116 -9.533 1.00 0.00 C ATOM 851 CD1 TYR A 57 4.330 0.789 -9.132 1.00 0.00 C ATOM 852 CD2 TYR A 57 4.382 2.395 -10.893 1.00 0.00 C ATOM 853 CE1 TYR A 57 4.185 -0.227 -10.057 1.00 0.00 C ATOM 854 CE2 TYR A 57 4.236 1.385 -11.824 1.00 0.00 C ATOM 855 CZ TYR A 57 4.138 0.076 -11.401 1.00 0.00 C ATOM 856 OH TYR A 57 3.994 -0.932 -12.326 1.00 0.00 O ATOM 0 H TYR A 57 6.462 4.339 -10.077 1.00 0.00 H new ATOM 0 HA TYR A 57 6.102 3.935 -7.166 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.067 2.945 -7.602 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.107 4.126 -8.896 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.366 0.548 -8.080 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.460 3.419 -11.228 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.109 -1.253 -9.729 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.199 1.619 -12.878 1.00 0.00 H new ATOM 0 HH TYR A 57 4.861 -1.362 -12.479 1.00 0.00 H new ATOM 866 N ALA A 58 6.608 1.333 -7.360 1.00 0.00 N ATOM 867 CA ALA A 58 7.335 0.070 -7.325 1.00 0.00 C ATOM 868 C ALA A 58 6.675 -0.918 -6.370 1.00 0.00 C ATOM 869 O ALA A 58 6.565 -0.658 -5.171 1.00 0.00 O ATOM 870 CB ALA A 58 8.784 0.306 -6.925 1.00 0.00 C ATOM 0 H ALA A 58 5.883 1.422 -6.648 1.00 0.00 H new ATOM 0 HA ALA A 58 7.311 -0.362 -8.326 1.00 0.00 H new ATOM 0 HB1 ALA A 58 9.315 -0.646 -6.903 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.258 0.969 -7.649 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.819 0.764 -5.936 1.00 0.00 H new ATOM 876 N SER A 59 6.236 -2.051 -6.907 1.00 0.00 N ATOM 877 CA SER A 59 5.582 -3.076 -6.103 1.00 0.00 C ATOM 878 C SER A 59 6.501 -4.278 -5.902 1.00 0.00 C ATOM 879 O SER A 59 7.430 -4.500 -6.678 1.00 0.00 O ATOM 880 CB SER A 59 4.278 -3.522 -6.768 1.00 0.00 C ATOM 881 OG SER A 59 3.839 -4.764 -6.246 1.00 0.00 O ATOM 0 H SER A 59 6.321 -2.283 -7.897 1.00 0.00 H new ATOM 0 HA SER A 59 5.355 -2.647 -5.127 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.509 -2.766 -6.611 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.426 -3.608 -7.844 1.00 0.00 H new ATOM 0 HG SER A 59 3.599 -4.656 -5.302 1.00 0.00 H new ATOM 887 N LEU A 60 6.234 -5.050 -4.854 1.00 0.00 N ATOM 888 CA LEU A 60 7.035 -6.230 -4.549 1.00 0.00 C ATOM 889 C LEU A 60 6.149 -7.456 -4.359 1.00 0.00 C ATOM 890 O LEU A 60 6.201 -8.401 -5.148 1.00 0.00 O ATOM 891 CB LEU A 60 7.872 -5.991 -3.291 1.00 0.00 C ATOM 892 CG LEU A 60 8.815 -7.124 -2.887 1.00 0.00 C ATOM 893 CD1 LEU A 60 9.878 -7.340 -3.954 1.00 0.00 C ATOM 894 CD2 LEU A 60 9.461 -6.827 -1.541 1.00 0.00 C ATOM 0 H LEU A 60 5.469 -4.880 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 60 7.701 -6.414 -5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.464 -5.088 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.194 -5.795 -2.460 1.00 0.00 H new ATOM 0 HG LEU A 60 8.232 -8.040 -2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.540 -8.150 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.399 -7.599 -4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.458 -6.426 -4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.129 -7.645 -1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.030 -5.900 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.687 -6.724 -0.781 1.00 0.00 H new ATOM 906 N HIS A 61 5.334 -7.434 -3.309 1.00 0.00 N ATOM 907 CA HIS A 61 4.433 -8.544 -3.018 1.00 0.00 C ATOM 908 C HIS A 61 2.977 -8.118 -3.177 1.00 0.00 C ATOM 909 O HIS A 61 2.113 -8.523 -2.400 1.00 0.00 O ATOM 910 CB HIS A 61 4.673 -9.064 -1.600 1.00 0.00 C ATOM 911 CG HIS A 61 6.039 -9.643 -1.397 1.00 0.00 C ATOM 912 ND1 HIS A 61 6.386 -10.913 -1.805 1.00 0.00 N ATOM 913 CD2 HIS A 61 7.148 -9.116 -0.827 1.00 0.00 C ATOM 914 CE1 HIS A 61 7.649 -11.144 -1.493 1.00 0.00 C ATOM 915 NE2 HIS A 61 8.134 -10.069 -0.899 1.00 0.00 N ATOM 0 H HIS A 61 5.279 -6.661 -2.646 1.00 0.00 H new ATOM 0 HA HIS A 61 4.639 -9.343 -3.730 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.525 -8.248 -0.893 1.00 0.00 H new ATOM 0 HB3 HIS A 61 3.927 -9.825 -1.370 1.00 0.00 H new ATOM 0 HD2 HIS A 61 7.240 -8.130 -0.396 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.192 -12.056 -1.690 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.087 -9.964 -0.550 1.00 0.00 H new ATOM 924 N GLY A 62 2.712 -7.296 -4.188 1.00 0.00 N ATOM 925 CA GLY A 62 1.360 -6.828 -4.430 1.00 0.00 C ATOM 926 C GLY A 62 1.152 -5.397 -3.976 1.00 0.00 C ATOM 927 O GLY A 62 0.342 -4.668 -4.549 1.00 0.00 O ATOM 0 H GLY A 62 3.410 -6.946 -4.844 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.137 -6.904 -5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.656 -7.477 -3.910 1.00 0.00 H new ATOM 931 N ARG A 63 1.884 -4.993 -2.943 1.00 0.00 N ATOM 932 CA ARG A 63 1.774 -3.640 -2.410 1.00 0.00 C ATOM 933 C ARG A 63 2.628 -2.667 -3.218 1.00 0.00 C ATOM 934 O ARG A 63 3.572 -3.071 -3.898 1.00 0.00 O ATOM 935 CB ARG A 63 2.200 -3.611 -0.941 1.00 0.00 C ATOM 936 CG ARG A 63 1.068 -3.916 0.027 1.00 0.00 C ATOM 937 CD ARG A 63 0.044 -2.792 0.058 1.00 0.00 C ATOM 938 NE ARG A 63 -1.302 -3.286 0.335 1.00 0.00 N ATOM 939 CZ ARG A 63 -1.765 -3.510 1.560 1.00 0.00 C ATOM 940 NH1 ARG A 63 -0.995 -3.284 2.615 1.00 0.00 N ATOM 941 NH2 ARG A 63 -3.002 -3.959 1.731 1.00 0.00 N ATOM 0 H ARG A 63 2.560 -5.583 -2.458 1.00 0.00 H new ATOM 0 HA ARG A 63 0.732 -3.330 -2.485 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.001 -4.334 -0.789 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.610 -2.628 -0.710 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.580 -4.846 -0.263 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.474 -4.068 1.027 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.327 -2.065 0.819 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.049 -2.270 -0.899 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.920 -3.469 -0.455 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.044 -2.937 2.488 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.353 -3.457 3.554 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.598 -4.132 0.922 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.357 -4.131 2.672 1.00 0.00 H new ATOM 955 N ILE A 64 2.289 -1.385 -3.138 1.00 0.00 N ATOM 956 CA ILE A 64 3.025 -0.355 -3.861 1.00 0.00 C ATOM 957 C ILE A 64 3.987 0.385 -2.937 1.00 0.00 C ATOM 958 O ILE A 64 3.737 0.514 -1.738 1.00 0.00 O ATOM 959 CB ILE A 64 2.073 0.664 -4.514 1.00 0.00 C ATOM 960 CG1 ILE A 64 0.813 -0.038 -5.027 1.00 0.00 C ATOM 961 CG2 ILE A 64 2.776 1.397 -5.647 1.00 0.00 C ATOM 962 CD1 ILE A 64 1.063 -0.927 -6.225 1.00 0.00 C ATOM 0 H ILE A 64 1.510 -1.035 -2.580 1.00 0.00 H new ATOM 0 HA ILE A 64 3.592 -0.862 -4.641 1.00 0.00 H new ATOM 0 HB ILE A 64 1.778 1.396 -3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.387 -0.637 -4.222 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.070 0.714 -5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.090 2.114 -6.098 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.645 1.925 -5.255 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.097 0.678 -6.401 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.127 -1.392 -6.535 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.460 -0.329 -7.045 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.782 -1.702 -5.959 1.00 0.00 H new ATOM 974 N TYR A 65 5.086 0.870 -3.502 1.00 0.00 N ATOM 975 CA TYR A 65 6.086 1.597 -2.729 1.00 0.00 C ATOM 976 C TYR A 65 6.816 2.614 -3.602 1.00 0.00 C ATOM 977 O TYR A 65 7.116 2.349 -4.767 1.00 0.00 O ATOM 978 CB TYR A 65 7.091 0.623 -2.113 1.00 0.00 C ATOM 979 CG TYR A 65 6.540 -0.154 -0.939 1.00 0.00 C ATOM 980 CD1 TYR A 65 5.779 -1.301 -1.134 1.00 0.00 C ATOM 981 CD2 TYR A 65 6.780 0.258 0.366 1.00 0.00 C ATOM 982 CE1 TYR A 65 5.273 -2.013 -0.065 1.00 0.00 C ATOM 983 CE2 TYR A 65 6.278 -0.449 1.442 1.00 0.00 C ATOM 984 CZ TYR A 65 5.525 -1.583 1.221 1.00 0.00 C ATOM 985 OH TYR A 65 5.023 -2.291 2.290 1.00 0.00 O ATOM 0 H TYR A 65 5.308 0.773 -4.493 1.00 0.00 H new ATOM 0 HA TYR A 65 5.573 2.133 -1.931 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.421 -0.078 -2.879 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.971 1.179 -1.789 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.580 -1.641 -2.140 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.369 1.146 0.542 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.683 -2.902 -0.235 1.00 0.00 H new ATOM 0 HE2 TYR A 65 6.474 -0.115 2.450 1.00 0.00 H new ATOM 0 HH TYR A 65 4.145 -1.932 2.537 1.00 0.00 H new ATOM 995 N CYS A 66 7.100 3.779 -3.029 1.00 0.00 N ATOM 996 CA CYS A 66 7.795 4.837 -3.752 1.00 0.00 C ATOM 997 C CYS A 66 9.270 4.492 -3.937 1.00 0.00 C ATOM 998 O CYS A 66 9.910 3.948 -3.036 1.00 0.00 O ATOM 999 CB CYS A 66 7.661 6.166 -3.006 1.00 0.00 C ATOM 1000 SG CYS A 66 8.410 6.166 -1.346 1.00 0.00 S ATOM 0 H CYS A 66 6.859 4.014 -2.066 1.00 0.00 H new ATOM 0 HA CYS A 66 7.336 4.932 -4.736 1.00 0.00 H new ATOM 0 HB2 CYS A 66 8.124 6.953 -3.602 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.604 6.415 -2.916 1.00 0.00 H new ATOM 1005 N LYS A 67 9.804 4.811 -5.111 1.00 0.00 N ATOM 1006 CA LYS A 67 11.204 4.537 -5.415 1.00 0.00 C ATOM 1007 C LYS A 67 12.066 4.653 -4.162 1.00 0.00 C ATOM 1008 O LYS A 67 12.802 3.735 -3.800 1.00 0.00 O ATOM 1009 CB LYS A 67 11.712 5.503 -6.488 1.00 0.00 C ATOM 1010 CG LYS A 67 11.738 4.904 -7.883 1.00 0.00 C ATOM 1011 CD LYS A 67 10.442 5.172 -8.629 1.00 0.00 C ATOM 1012 CE LYS A 67 10.171 4.103 -9.678 1.00 0.00 C ATOM 1013 NZ LYS A 67 11.089 4.226 -10.844 1.00 0.00 N ATOM 0 H LYS A 67 9.288 5.260 -5.868 1.00 0.00 H new ATOM 0 HA LYS A 67 11.276 3.516 -5.790 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.079 6.391 -6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.718 5.830 -6.224 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.575 5.321 -8.444 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.904 3.829 -7.815 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.614 5.207 -7.921 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.492 6.149 -9.109 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.284 3.116 -9.229 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.139 4.182 -10.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.251 3.286 -11.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.662 4.851 -11.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.996 4.627 -10.531 1.00 0.00 H new ATOM 1027 N PRO A 68 11.973 5.806 -3.483 1.00 0.00 N ATOM 1028 CA PRO A 68 12.736 6.067 -2.259 1.00 0.00 C ATOM 1029 C PRO A 68 12.649 4.914 -1.265 1.00 0.00 C ATOM 1030 O PRO A 68 13.642 4.235 -0.998 1.00 0.00 O ATOM 1031 CB PRO A 68 12.068 7.319 -1.685 1.00 0.00 C ATOM 1032 CG PRO A 68 11.474 8.006 -2.866 1.00 0.00 C ATOM 1033 CD PRO A 68 11.115 6.943 -3.858 1.00 0.00 C ATOM 0 HA PRO A 68 13.800 6.189 -2.460 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.304 7.060 -0.952 1.00 0.00 H new ATOM 0 HB3 PRO A 68 12.792 7.957 -1.178 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.592 8.577 -2.576 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.183 8.712 -3.298 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.058 6.683 -3.800 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.307 7.269 -4.880 1.00 0.00 H new ATOM 1041 N HIS A 69 11.457 4.697 -0.719 1.00 0.00 N ATOM 1042 CA HIS A 69 11.241 3.625 0.246 1.00 0.00 C ATOM 1043 C HIS A 69 11.597 2.270 -0.359 1.00 0.00 C ATOM 1044 O HIS A 69 12.277 1.458 0.268 1.00 0.00 O ATOM 1045 CB HIS A 69 9.787 3.619 0.718 1.00 0.00 C ATOM 1046 CG HIS A 69 9.514 4.586 1.829 1.00 0.00 C ATOM 1047 ND1 HIS A 69 8.300 5.217 1.997 1.00 0.00 N ATOM 1048 CD2 HIS A 69 10.308 5.027 2.833 1.00 0.00 C ATOM 1049 CE1 HIS A 69 8.358 6.006 3.055 1.00 0.00 C ATOM 1050 NE2 HIS A 69 9.566 5.909 3.580 1.00 0.00 N ATOM 0 H HIS A 69 10.626 5.249 -0.928 1.00 0.00 H new ATOM 0 HA HIS A 69 11.892 3.804 1.102 1.00 0.00 H new ATOM 0 HB2 HIS A 69 9.139 3.855 -0.126 1.00 0.00 H new ATOM 0 HB3 HIS A 69 9.525 2.614 1.049 1.00 0.00 H new ATOM 0 HD2 HIS A 69 11.333 4.739 3.013 1.00 0.00 H new ATOM 0 HE1 HIS A 69 7.555 6.625 3.427 1.00 0.00 H new ATOM 0 HE2 HIS A 69 9.895 6.408 4.406 1.00 0.00 H new ATOM 1058 N PHE A 70 11.132 2.033 -1.581 1.00 0.00 N ATOM 1059 CA PHE A 70 11.399 0.776 -2.271 1.00 0.00 C ATOM 1060 C PHE A 70 12.889 0.446 -2.242 1.00 0.00 C ATOM 1061 O PHE A 70 13.292 -0.610 -1.758 1.00 0.00 O ATOM 1062 CB PHE A 70 10.909 0.849 -3.718 1.00 0.00 C ATOM 1063 CG PHE A 70 11.433 -0.260 -4.585 1.00 0.00 C ATOM 1064 CD1 PHE A 70 12.732 -0.225 -5.067 1.00 0.00 C ATOM 1065 CD2 PHE A 70 10.627 -1.336 -4.919 1.00 0.00 C ATOM 1066 CE1 PHE A 70 13.218 -1.244 -5.865 1.00 0.00 C ATOM 1067 CE2 PHE A 70 11.108 -2.358 -5.716 1.00 0.00 C ATOM 1068 CZ PHE A 70 12.404 -2.311 -6.191 1.00 0.00 C ATOM 0 H PHE A 70 10.568 2.695 -2.114 1.00 0.00 H new ATOM 0 HA PHE A 70 10.859 -0.016 -1.752 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.819 0.822 -3.726 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.207 1.806 -4.146 1.00 0.00 H new ATOM 0 HD1 PHE A 70 13.372 0.608 -4.816 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.612 -1.377 -4.553 1.00 0.00 H new ATOM 0 HE1 PHE A 70 14.233 -1.206 -6.233 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.471 -3.193 -5.967 1.00 0.00 H new ATOM 0 HZ PHE A 70 12.780 -3.107 -6.816 1.00 0.00 H new ATOM 1078 N ASN A 71 13.701 1.359 -2.765 1.00 0.00 N ATOM 1079 CA ASN A 71 15.146 1.166 -2.801 1.00 0.00 C ATOM 1080 C ASN A 71 15.751 1.326 -1.410 1.00 0.00 C ATOM 1081 O ASN A 71 16.785 0.735 -1.101 1.00 0.00 O ATOM 1082 CB ASN A 71 15.791 2.161 -3.768 1.00 0.00 C ATOM 1083 CG ASN A 71 15.318 1.969 -5.196 1.00 0.00 C ATOM 1084 OD1 ASN A 71 15.541 0.919 -5.799 1.00 0.00 O ATOM 1085 ND2 ASN A 71 14.662 2.985 -5.744 1.00 0.00 N ATOM 0 H ASN A 71 13.383 2.240 -3.170 1.00 0.00 H new ATOM 0 HA ASN A 71 15.343 0.152 -3.149 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.562 3.177 -3.446 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.875 2.051 -3.729 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.320 2.914 -6.702 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.500 3.837 -5.207 1.00 0.00 H new ATOM 1092 N GLN A 72 15.099 2.129 -0.576 1.00 0.00 N ATOM 1093 CA GLN A 72 15.573 2.367 0.782 1.00 0.00 C ATOM 1094 C GLN A 72 15.369 1.133 1.654 1.00 0.00 C ATOM 1095 O GLN A 72 16.126 0.894 2.597 1.00 0.00 O ATOM 1096 CB GLN A 72 14.846 3.565 1.396 1.00 0.00 C ATOM 1097 CG GLN A 72 15.023 3.678 2.902 1.00 0.00 C ATOM 1098 CD GLN A 72 14.729 5.071 3.421 1.00 0.00 C ATOM 1099 OE1 GLN A 72 15.375 6.043 3.027 1.00 0.00 O ATOM 1100 NE2 GLN A 72 13.749 5.177 4.311 1.00 0.00 N ATOM 0 H GLN A 72 14.241 2.626 -0.817 1.00 0.00 H new ATOM 0 HA GLN A 72 16.640 2.584 0.734 1.00 0.00 H new ATOM 0 HB2 GLN A 72 15.209 4.479 0.926 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.783 3.490 1.168 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.364 2.964 3.396 1.00 0.00 H new ATOM 0 HG3 GLN A 72 16.045 3.404 3.165 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.239 4.346 4.610 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.506 6.090 4.696 1.00 0.00 H new ATOM 1109 N LEU A 73 14.344 0.351 1.334 1.00 0.00 N ATOM 1110 CA LEU A 73 14.040 -0.860 2.089 1.00 0.00 C ATOM 1111 C LEU A 73 14.552 -2.098 1.359 1.00 0.00 C ATOM 1112 O LEU A 73 15.333 -2.876 1.908 1.00 0.00 O ATOM 1113 CB LEU A 73 12.533 -0.977 2.319 1.00 0.00 C ATOM 1114 CG LEU A 73 11.837 0.276 2.853 1.00 0.00 C ATOM 1115 CD1 LEU A 73 10.369 0.281 2.455 1.00 0.00 C ATOM 1116 CD2 LEU A 73 11.981 0.362 4.366 1.00 0.00 C ATOM 0 H LEU A 73 13.709 0.534 0.557 1.00 0.00 H new ATOM 0 HA LEU A 73 14.544 -0.794 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 73 12.062 -1.256 1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.355 -1.794 3.019 1.00 0.00 H new ATOM 0 HG LEU A 73 12.315 1.150 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.890 1.180 2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.287 0.267 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.877 -0.600 2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.480 1.259 4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.528 -0.517 4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.038 0.405 4.629 1.00 0.00 H new ATOM 1128 N PHE A 74 14.109 -2.274 0.119 1.00 0.00 N ATOM 1129 CA PHE A 74 14.523 -3.417 -0.686 1.00 0.00 C ATOM 1130 C PHE A 74 16.043 -3.487 -0.790 1.00 0.00 C ATOM 1131 O PHE A 74 16.661 -4.470 -0.379 1.00 0.00 O ATOM 1132 CB PHE A 74 13.909 -3.331 -2.085 1.00 0.00 C ATOM 1133 CG PHE A 74 12.409 -3.424 -2.088 1.00 0.00 C ATOM 1134 CD1 PHE A 74 11.694 -3.329 -0.906 1.00 0.00 C ATOM 1135 CD2 PHE A 74 11.716 -3.606 -3.274 1.00 0.00 C ATOM 1136 CE1 PHE A 74 10.314 -3.413 -0.905 1.00 0.00 C ATOM 1137 CE2 PHE A 74 10.337 -3.691 -3.280 1.00 0.00 C ATOM 1138 CZ PHE A 74 9.635 -3.595 -2.094 1.00 0.00 C ATOM 0 H PHE A 74 13.463 -1.639 -0.351 1.00 0.00 H new ATOM 0 HA PHE A 74 14.168 -4.323 -0.195 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.208 -2.390 -2.547 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.316 -4.132 -2.702 1.00 0.00 H new ATOM 0 HD1 PHE A 74 12.221 -3.188 0.026 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.260 -3.682 -4.204 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.768 -3.336 0.024 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.808 -3.832 -4.211 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.557 -3.662 -2.097 1.00 0.00 H new ATOM 1148 N LYS A 75 16.642 -2.437 -1.342 1.00 0.00 N ATOM 1149 CA LYS A 75 18.090 -2.377 -1.500 1.00 0.00 C ATOM 1150 C LYS A 75 18.794 -2.628 -0.170 1.00 0.00 C ATOM 1151 O LYS A 75 19.859 -3.244 -0.127 1.00 0.00 O ATOM 1152 CB LYS A 75 18.507 -1.015 -2.060 1.00 0.00 C ATOM 1153 CG LYS A 75 19.759 -1.068 -2.919 1.00 0.00 C ATOM 1154 CD LYS A 75 19.431 -1.413 -4.362 1.00 0.00 C ATOM 1155 CE LYS A 75 20.649 -1.262 -5.261 1.00 0.00 C ATOM 1156 NZ LYS A 75 20.322 -1.535 -6.688 1.00 0.00 N ATOM 0 H LYS A 75 16.146 -1.615 -1.688 1.00 0.00 H new ATOM 0 HA LYS A 75 18.386 -3.158 -2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 75 17.687 -0.609 -2.652 1.00 0.00 H new ATOM 0 HB3 LYS A 75 18.674 -0.326 -1.232 1.00 0.00 H new ATOM 0 HG2 LYS A 75 20.268 -0.105 -2.881 1.00 0.00 H new ATOM 0 HG3 LYS A 75 20.448 -1.809 -2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 75 19.061 -2.437 -4.418 1.00 0.00 H new ATOM 0 HD3 LYS A 75 18.631 -0.765 -4.719 1.00 0.00 H new ATOM 0 HE2 LYS A 75 21.047 -0.252 -5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 75 21.431 -1.945 -4.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 21.178 -1.422 -7.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 19.966 -2.508 -6.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 19.594 -0.867 -7.011 1.00 0.00 H new ATOM 1170 N SER A 76 18.190 -2.148 0.913 1.00 0.00 N ATOM 1171 CA SER A 76 18.760 -2.319 2.244 1.00 0.00 C ATOM 1172 C SER A 76 19.479 -3.660 2.360 1.00 0.00 C ATOM 1173 O SER A 76 18.876 -4.718 2.186 1.00 0.00 O ATOM 1174 CB SER A 76 17.665 -2.221 3.308 1.00 0.00 C ATOM 1175 OG SER A 76 18.218 -1.984 4.590 1.00 0.00 O ATOM 0 H SER A 76 17.307 -1.638 0.894 1.00 0.00 H new ATOM 0 HA SER A 76 19.486 -1.522 2.406 1.00 0.00 H new ATOM 0 HB2 SER A 76 16.976 -1.416 3.052 1.00 0.00 H new ATOM 0 HB3 SER A 76 17.086 -3.144 3.324 1.00 0.00 H new ATOM 0 HG SER A 76 17.497 -1.924 5.251 1.00 0.00 H new ATOM 1181 N LYS A 77 20.774 -3.606 2.654 1.00 0.00 N ATOM 1182 CA LYS A 77 21.577 -4.814 2.795 1.00 0.00 C ATOM 1183 C LYS A 77 20.802 -5.901 3.532 1.00 0.00 C ATOM 1184 O LYS A 77 20.031 -5.615 4.447 1.00 0.00 O ATOM 1185 CB LYS A 77 22.876 -4.504 3.543 1.00 0.00 C ATOM 1186 CG LYS A 77 24.049 -5.367 3.109 1.00 0.00 C ATOM 1187 CD LYS A 77 25.018 -5.606 4.255 1.00 0.00 C ATOM 1188 CE LYS A 77 26.072 -4.511 4.331 1.00 0.00 C ATOM 1189 NZ LYS A 77 27.033 -4.587 3.196 1.00 0.00 N ATOM 0 H LYS A 77 21.289 -2.738 2.799 1.00 0.00 H new ATOM 0 HA LYS A 77 21.817 -5.178 1.796 1.00 0.00 H new ATOM 0 HB2 LYS A 77 23.131 -3.455 3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 77 22.711 -4.640 4.612 1.00 0.00 H new ATOM 0 HG2 LYS A 77 23.681 -6.323 2.737 1.00 0.00 H new ATOM 0 HG3 LYS A 77 24.572 -4.884 2.284 1.00 0.00 H new ATOM 0 HD2 LYS A 77 24.468 -5.649 5.195 1.00 0.00 H new ATOM 0 HD3 LYS A 77 25.505 -6.573 4.126 1.00 0.00 H new ATOM 0 HE2 LYS A 77 25.584 -3.536 4.329 1.00 0.00 H new ATOM 0 HE3 LYS A 77 26.615 -4.594 5.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 27.910 -4.089 3.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 27.248 -5.583 2.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 26.613 -4.142 2.355 1.00 0.00 H new ATOM 1203 N GLY A 78 21.012 -7.150 3.128 1.00 0.00 N ATOM 1204 CA GLY A 78 20.326 -8.261 3.762 1.00 0.00 C ATOM 1205 C GLY A 78 19.775 -9.253 2.757 1.00 0.00 C ATOM 1206 O GLY A 78 18.569 -9.489 2.706 1.00 0.00 O ATOM 0 H GLY A 78 21.645 -7.413 2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 78 21.015 -8.774 4.433 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.510 -7.878 4.374 1.00 0.00 H new ATOM 1210 N ASN A 79 20.661 -9.832 1.954 1.00 0.00 N ATOM 1211 CA ASN A 79 20.257 -10.803 0.943 1.00 0.00 C ATOM 1212 C ASN A 79 21.183 -12.015 0.950 1.00 0.00 C ATOM 1213 O ASN A 79 21.076 -12.896 0.097 1.00 0.00 O ATOM 1214 CB ASN A 79 20.257 -10.156 -0.444 1.00 0.00 C ATOM 1215 CG ASN A 79 21.647 -9.752 -0.894 1.00 0.00 C ATOM 1216 OD1 ASN A 79 22.204 -8.763 -0.416 1.00 0.00 O ATOM 1217 ND2 ASN A 79 22.216 -10.518 -1.818 1.00 0.00 N ATOM 0 H ASN A 79 21.663 -9.646 1.983 1.00 0.00 H new ATOM 0 HA ASN A 79 19.248 -11.138 1.181 1.00 0.00 H new ATOM 0 HB2 ASN A 79 19.832 -10.853 -1.167 1.00 0.00 H new ATOM 0 HB3 ASN A 79 19.612 -9.277 -0.432 1.00 0.00 H new ATOM 0 HD21 ASN A 79 23.151 -10.296 -2.159 1.00 0.00 H new ATOM 0 HD22 ASN A 79 21.718 -11.328 -2.186 1.00 0.00 H new ATOM 1224 N TYR A 80 22.090 -12.053 1.920 1.00 0.00 N ATOM 1225 CA TYR A 80 23.036 -13.156 2.038 1.00 0.00 C ATOM 1226 C TYR A 80 22.319 -14.500 1.959 1.00 0.00 C ATOM 1227 O TYR A 80 21.214 -14.658 2.478 1.00 0.00 O ATOM 1228 CB TYR A 80 23.808 -13.054 3.355 1.00 0.00 C ATOM 1229 CG TYR A 80 24.876 -11.985 3.349 1.00 0.00 C ATOM 1230 CD1 TYR A 80 24.540 -10.639 3.429 1.00 0.00 C ATOM 1231 CD2 TYR A 80 26.222 -12.320 3.265 1.00 0.00 C ATOM 1232 CE1 TYR A 80 25.513 -9.658 3.424 1.00 0.00 C ATOM 1233 CE2 TYR A 80 27.202 -11.346 3.260 1.00 0.00 C ATOM 1234 CZ TYR A 80 26.843 -10.017 3.339 1.00 0.00 C ATOM 1235 OH TYR A 80 27.815 -9.043 3.335 1.00 0.00 O ATOM 0 H TYR A 80 22.190 -11.333 2.636 1.00 0.00 H new ATOM 0 HA TYR A 80 23.738 -13.090 1.206 1.00 0.00 H new ATOM 0 HB2 TYR A 80 23.106 -12.850 4.163 1.00 0.00 H new ATOM 0 HB3 TYR A 80 24.271 -14.017 3.571 1.00 0.00 H new ATOM 0 HD1 TYR A 80 23.500 -10.355 3.496 1.00 0.00 H new ATOM 0 HD2 TYR A 80 26.507 -13.360 3.203 1.00 0.00 H new ATOM 0 HE1 TYR A 80 25.234 -8.616 3.486 1.00 0.00 H new ATOM 0 HE2 TYR A 80 28.244 -11.624 3.195 1.00 0.00 H new ATOM 0 HH TYR A 80 28.698 -9.463 3.271 1.00 0.00 H new ATOM 1245 N ASP A 81 22.956 -15.466 1.306 1.00 0.00 N ATOM 1246 CA ASP A 81 22.381 -16.798 1.159 1.00 0.00 C ATOM 1247 C ASP A 81 23.451 -17.811 0.765 1.00 0.00 C ATOM 1248 O ASP A 81 24.565 -17.440 0.397 1.00 0.00 O ATOM 1249 CB ASP A 81 21.266 -16.783 0.112 1.00 0.00 C ATOM 1250 CG ASP A 81 20.294 -17.933 0.285 1.00 0.00 C ATOM 1251 OD1 ASP A 81 19.426 -17.846 1.178 1.00 0.00 O ATOM 1252 OD2 ASP A 81 20.402 -18.921 -0.472 1.00 0.00 O ATOM 0 H ASP A 81 23.871 -15.351 0.870 1.00 0.00 H new ATOM 0 HA ASP A 81 21.962 -17.094 2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 81 20.724 -15.840 0.177 1.00 0.00 H new ATOM 0 HB3 ASP A 81 21.706 -16.830 -0.884 1.00 0.00 H new ATOM 1257 N GLU A 82 23.105 -19.092 0.848 1.00 0.00 N ATOM 1258 CA GLU A 82 24.038 -20.158 0.502 1.00 0.00 C ATOM 1259 C GLU A 82 23.811 -20.636 -0.929 1.00 0.00 C ATOM 1260 O GLU A 82 24.584 -21.434 -1.459 1.00 0.00 O ATOM 1261 CB GLU A 82 23.889 -21.331 1.473 1.00 0.00 C ATOM 1262 CG GLU A 82 24.186 -22.683 0.845 1.00 0.00 C ATOM 1263 CD GLU A 82 25.649 -22.846 0.479 1.00 0.00 C ATOM 1264 OE1 GLU A 82 26.311 -21.823 0.209 1.00 0.00 O ATOM 1265 OE2 GLU A 82 26.130 -23.999 0.464 1.00 0.00 O ATOM 0 H GLU A 82 22.187 -19.416 1.151 1.00 0.00 H new ATOM 0 HA GLU A 82 25.050 -19.760 0.577 1.00 0.00 H new ATOM 0 HB2 GLU A 82 24.558 -21.178 2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 82 22.873 -21.338 1.867 1.00 0.00 H new ATOM 0 HG2 GLU A 82 23.898 -23.473 1.539 1.00 0.00 H new ATOM 0 HG3 GLU A 82 23.575 -22.806 -0.049 1.00 0.00 H new ATOM 1272 N GLY A 83 22.744 -20.143 -1.550 1.00 0.00 N ATOM 1273 CA GLY A 83 22.433 -20.531 -2.914 1.00 0.00 C ATOM 1274 C GLY A 83 22.468 -22.033 -3.111 1.00 0.00 C ATOM 1275 O GLY A 83 23.024 -22.525 -4.093 1.00 0.00 O ATOM 0 H GLY A 83 22.089 -19.482 -1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 83 21.445 -20.156 -3.179 1.00 0.00 H new ATOM 0 HA3 GLY A 83 23.145 -20.062 -3.593 1.00 0.00 H new ATOM 1279 N PHE A 84 21.873 -22.765 -2.175 1.00 0.00 N ATOM 1280 CA PHE A 84 21.840 -24.221 -2.249 1.00 0.00 C ATOM 1281 C PHE A 84 20.772 -24.692 -3.232 1.00 0.00 C ATOM 1282 O PHE A 84 19.583 -24.441 -3.040 1.00 0.00 O ATOM 1283 CB PHE A 84 21.575 -24.818 -0.865 1.00 0.00 C ATOM 1284 CG PHE A 84 22.039 -26.239 -0.726 1.00 0.00 C ATOM 1285 CD1 PHE A 84 21.256 -27.286 -1.187 1.00 0.00 C ATOM 1286 CD2 PHE A 84 23.257 -26.530 -0.134 1.00 0.00 C ATOM 1287 CE1 PHE A 84 21.681 -28.595 -1.060 1.00 0.00 C ATOM 1288 CE2 PHE A 84 23.687 -27.837 -0.004 1.00 0.00 C ATOM 1289 CZ PHE A 84 22.898 -28.871 -0.468 1.00 0.00 C ATOM 0 H PHE A 84 21.407 -22.374 -1.356 1.00 0.00 H new ATOM 0 HA PHE A 84 22.812 -24.564 -2.604 1.00 0.00 H new ATOM 0 HB2 PHE A 84 22.073 -24.206 -0.113 1.00 0.00 H new ATOM 0 HB3 PHE A 84 20.506 -24.771 -0.657 1.00 0.00 H new ATOM 0 HD1 PHE A 84 20.303 -27.076 -1.651 1.00 0.00 H new ATOM 0 HD2 PHE A 84 23.878 -25.725 0.231 1.00 0.00 H new ATOM 0 HE1 PHE A 84 21.062 -29.402 -1.424 1.00 0.00 H new ATOM 0 HE2 PHE A 84 24.639 -28.049 0.460 1.00 0.00 H new ATOM 0 HZ PHE A 84 23.232 -29.893 -0.368 1.00 0.00 H new ATOM 1299 N GLY A 85 21.206 -25.377 -4.285 1.00 0.00 N ATOM 1300 CA GLY A 85 20.276 -25.871 -5.283 1.00 0.00 C ATOM 1301 C GLY A 85 20.969 -26.632 -6.396 1.00 0.00 C ATOM 1302 O GLY A 85 21.776 -26.066 -7.135 1.00 0.00 O ATOM 0 H GLY A 85 22.185 -25.599 -4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 85 19.545 -26.521 -4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 85 19.726 -25.032 -5.709 1.00 0.00 H new ATOM 1306 N SER A 86 20.656 -27.918 -6.517 1.00 0.00 N ATOM 1307 CA SER A 86 21.259 -28.758 -7.544 1.00 0.00 C ATOM 1308 C SER A 86 20.410 -28.761 -8.812 1.00 0.00 C ATOM 1309 O SER A 86 19.193 -28.587 -8.757 1.00 0.00 O ATOM 1310 CB SER A 86 21.429 -30.189 -7.028 1.00 0.00 C ATOM 1311 OG SER A 86 22.346 -30.914 -7.828 1.00 0.00 O ATOM 0 H SER A 86 19.988 -28.401 -5.916 1.00 0.00 H new ATOM 0 HA SER A 86 22.239 -28.347 -7.785 1.00 0.00 H new ATOM 0 HB2 SER A 86 21.780 -30.168 -5.996 1.00 0.00 H new ATOM 0 HB3 SER A 86 20.464 -30.695 -7.026 1.00 0.00 H new ATOM 0 HG SER A 86 22.438 -31.824 -7.477 1.00 0.00 H new ATOM 1317 N GLY A 87 21.062 -28.960 -9.953 1.00 0.00 N ATOM 1318 CA GLY A 87 20.352 -28.982 -11.219 1.00 0.00 C ATOM 1319 C GLY A 87 20.294 -30.369 -11.827 1.00 0.00 C ATOM 1320 O GLY A 87 21.208 -31.178 -11.670 1.00 0.00 O ATOM 0 H GLY A 87 22.069 -29.106 -10.024 1.00 0.00 H new ATOM 0 HA2 GLY A 87 19.338 -28.611 -11.070 1.00 0.00 H new ATOM 0 HA3 GLY A 87 20.840 -28.303 -11.918 1.00 0.00 H new ATOM 1324 N PRO A 88 19.195 -30.661 -12.539 1.00 0.00 N ATOM 1325 CA PRO A 88 18.994 -31.961 -13.186 1.00 0.00 C ATOM 1326 C PRO A 88 19.935 -32.172 -14.368 1.00 0.00 C ATOM 1327 O PRO A 88 20.233 -31.237 -15.111 1.00 0.00 O ATOM 1328 CB PRO A 88 17.541 -31.898 -13.664 1.00 0.00 C ATOM 1329 CG PRO A 88 17.258 -30.444 -13.826 1.00 0.00 C ATOM 1330 CD PRO A 88 18.065 -29.745 -12.767 1.00 0.00 C ATOM 0 HA PRO A 88 19.199 -32.790 -12.508 1.00 0.00 H new ATOM 0 HB2 PRO A 88 17.410 -32.434 -14.604 1.00 0.00 H new ATOM 0 HB3 PRO A 88 16.866 -32.354 -12.940 1.00 0.00 H new ATOM 0 HG2 PRO A 88 17.539 -30.100 -14.821 1.00 0.00 H new ATOM 0 HG3 PRO A 88 16.194 -30.238 -13.706 1.00 0.00 H new ATOM 0 HD2 PRO A 88 18.404 -28.765 -13.102 1.00 0.00 H new ATOM 0 HD3 PRO A 88 17.485 -29.588 -11.858 1.00 0.00 H new ATOM 1338 N SER A 89 20.398 -33.406 -14.535 1.00 0.00 N ATOM 1339 CA SER A 89 21.309 -33.739 -15.625 1.00 0.00 C ATOM 1340 C SER A 89 20.753 -34.885 -16.466 1.00 0.00 C ATOM 1341 O SER A 89 20.040 -35.752 -15.960 1.00 0.00 O ATOM 1342 CB SER A 89 22.684 -34.118 -15.071 1.00 0.00 C ATOM 1343 OG SER A 89 23.428 -32.964 -14.721 1.00 0.00 O ATOM 0 H SER A 89 20.158 -34.192 -13.930 1.00 0.00 H new ATOM 0 HA SER A 89 21.412 -32.860 -16.262 1.00 0.00 H new ATOM 0 HB2 SER A 89 22.564 -34.756 -14.196 1.00 0.00 H new ATOM 0 HB3 SER A 89 23.232 -34.697 -15.814 1.00 0.00 H new ATOM 0 HG SER A 89 24.302 -33.233 -14.368 1.00 0.00 H new ATOM 1349 N SER A 90 21.085 -34.881 -17.753 1.00 0.00 N ATOM 1350 CA SER A 90 20.617 -35.917 -18.666 1.00 0.00 C ATOM 1351 C SER A 90 21.351 -37.232 -18.417 1.00 0.00 C ATOM 1352 O SER A 90 22.322 -37.281 -17.664 1.00 0.00 O ATOM 1353 CB SER A 90 20.816 -35.475 -20.117 1.00 0.00 C ATOM 1354 OG SER A 90 19.699 -34.738 -20.583 1.00 0.00 O ATOM 0 H SER A 90 21.676 -34.172 -18.187 1.00 0.00 H new ATOM 0 HA SER A 90 19.554 -36.074 -18.484 1.00 0.00 H new ATOM 0 HB2 SER A 90 21.716 -34.865 -20.195 1.00 0.00 H new ATOM 0 HB3 SER A 90 20.968 -36.350 -20.749 1.00 0.00 H new ATOM 0 HG SER A 90 19.851 -34.466 -21.512 1.00 0.00 H new ATOM 1360 N GLY A 91 20.878 -38.297 -19.059 1.00 0.00 N ATOM 1361 CA GLY A 91 21.499 -39.598 -18.895 1.00 0.00 C ATOM 1362 C GLY A 91 20.485 -40.723 -18.853 1.00 0.00 C ATOM 1363 O GLY A 91 19.306 -40.459 -18.623 1.00 0.00 O ATOM 0 H GLY A 91 20.076 -38.281 -19.689 1.00 0.00 H new ATOM 0 HA2 GLY A 91 22.195 -39.771 -19.716 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.083 -39.605 -17.975 1.00 0.00 H new TER 1367 GLY A 91 HETATM 1368 ZN ZN A 201 -9.537 2.577 -5.313 1.00 0.00 ZN HETATM 1369 ZN ZN A 401 7.036 5.692 0.444 1.00 0.00 ZN