USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 613 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 59 HIS HE2 : A 59 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 35 THR OG1 : rot 89:sc= -1.46 USER MOD Set 1.2: A 48 ASN : amide:sc= -2.18! K(o=-3.6!,f=-2.2) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.105 (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 9 HIS : no HD1:sc=-0.00682 X(o=-0.0068,f=-0.0068) USER MOD Single : A 10 HIS : no HD1:sc= -2.88! C(o=-2.9!,f=-3.5!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -105:sc= -0.893 (180deg=-2.91!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -32:sc= 0.327 USER MOD Single : A 40 SER OG : rot -13:sc= -0.131 USER MOD Single : A 47 ASN : amide:sc= 0.067 X(o=0.067,f=-0.046) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -6.25! C(o=-6.3!,f=-8!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0.0345 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -56:sc= 0.467 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.924 K(o=-0.92,f=-0.39) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -37.499 66.501 -39.288 1.00 0.00 N ATOM 2 CA GLY A 1 -38.088 65.688 -38.240 1.00 0.00 C ATOM 3 C GLY A 1 -37.269 64.449 -37.938 1.00 0.00 C ATOM 4 O GLY A 1 -36.202 64.246 -38.517 1.00 0.00 O ATOM 0 H1 GLY A 1 -37.381 67.476 -38.946 1.00 0.00 H new ATOM 0 H2 GLY A 1 -36.571 66.111 -39.550 1.00 0.00 H new ATOM 0 H3 GLY A 1 -38.122 66.499 -40.120 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -38.186 66.285 -37.333 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -39.094 65.391 -38.537 1.00 0.00 H new ATOM 8 N SER A 2 -37.769 63.618 -37.029 1.00 0.00 N ATOM 9 CA SER A 2 -37.073 62.395 -36.647 1.00 0.00 C ATOM 10 C SER A 2 -37.998 61.187 -36.759 1.00 0.00 C ATOM 11 O SER A 2 -39.218 61.313 -36.657 1.00 0.00 O ATOM 12 CB SER A 2 -36.539 62.512 -35.218 1.00 0.00 C ATOM 13 OG SER A 2 -37.598 62.670 -34.289 1.00 0.00 O ATOM 0 H SER A 2 -38.653 63.769 -36.544 1.00 0.00 H new ATOM 0 HA SER A 2 -36.235 62.254 -37.330 1.00 0.00 H new ATOM 0 HB2 SER A 2 -35.962 61.622 -34.968 1.00 0.00 H new ATOM 0 HB3 SER A 2 -35.860 63.362 -35.149 1.00 0.00 H new ATOM 0 HG SER A 2 -37.231 62.741 -33.383 1.00 0.00 H new ATOM 19 N SER A 3 -37.407 60.015 -36.970 1.00 0.00 N ATOM 20 CA SER A 3 -38.176 58.783 -37.101 1.00 0.00 C ATOM 21 C SER A 3 -37.982 57.889 -35.880 1.00 0.00 C ATOM 22 O SER A 3 -38.948 57.411 -35.286 1.00 0.00 O ATOM 23 CB SER A 3 -37.764 58.031 -38.368 1.00 0.00 C ATOM 24 OG SER A 3 -38.273 56.709 -38.364 1.00 0.00 O ATOM 0 H SER A 3 -36.398 59.893 -37.054 1.00 0.00 H new ATOM 0 HA SER A 3 -39.231 59.049 -37.172 1.00 0.00 H new ATOM 0 HB2 SER A 3 -38.131 58.563 -39.246 1.00 0.00 H new ATOM 0 HB3 SER A 3 -36.677 58.005 -38.442 1.00 0.00 H new ATOM 0 HG SER A 3 -37.997 56.250 -39.185 1.00 0.00 H new ATOM 30 N GLY A 4 -36.724 57.668 -35.510 1.00 0.00 N ATOM 31 CA GLY A 4 -36.424 56.832 -34.362 1.00 0.00 C ATOM 32 C GLY A 4 -35.693 55.561 -34.745 1.00 0.00 C ATOM 33 O GLY A 4 -35.320 55.377 -35.904 1.00 0.00 O ATOM 0 H GLY A 4 -35.907 58.053 -35.985 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -35.818 57.397 -33.654 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -37.352 56.574 -33.852 1.00 0.00 H new ATOM 37 N SER A 5 -35.485 54.683 -33.770 1.00 0.00 N ATOM 38 CA SER A 5 -34.787 53.425 -34.010 1.00 0.00 C ATOM 39 C SER A 5 -34.852 52.525 -32.780 1.00 0.00 C ATOM 40 O SER A 5 -34.909 53.005 -31.648 1.00 0.00 O ATOM 41 CB SER A 5 -33.328 53.690 -34.385 1.00 0.00 C ATOM 42 OG SER A 5 -32.635 54.322 -33.323 1.00 0.00 O ATOM 0 H SER A 5 -35.790 54.819 -32.806 1.00 0.00 H new ATOM 0 HA SER A 5 -35.281 52.916 -34.838 1.00 0.00 H new ATOM 0 HB2 SER A 5 -32.837 52.750 -34.635 1.00 0.00 H new ATOM 0 HB3 SER A 5 -33.286 54.318 -35.275 1.00 0.00 H new ATOM 0 HG SER A 5 -31.704 54.479 -33.587 1.00 0.00 H new ATOM 48 N SER A 6 -34.844 51.216 -33.011 1.00 0.00 N ATOM 49 CA SER A 6 -34.906 50.247 -31.923 1.00 0.00 C ATOM 50 C SER A 6 -34.003 49.051 -32.209 1.00 0.00 C ATOM 51 O SER A 6 -33.423 48.940 -33.289 1.00 0.00 O ATOM 52 CB SER A 6 -36.346 49.774 -31.714 1.00 0.00 C ATOM 53 OG SER A 6 -36.550 49.333 -30.383 1.00 0.00 O ATOM 0 H SER A 6 -34.795 50.802 -33.942 1.00 0.00 H new ATOM 0 HA SER A 6 -34.556 50.736 -31.014 1.00 0.00 H new ATOM 0 HB2 SER A 6 -37.036 50.587 -31.941 1.00 0.00 H new ATOM 0 HB3 SER A 6 -36.570 48.963 -32.407 1.00 0.00 H new ATOM 0 HG SER A 6 -37.478 49.038 -30.275 1.00 0.00 H new ATOM 59 N GLY A 7 -33.889 48.156 -31.232 1.00 0.00 N ATOM 60 CA GLY A 7 -33.055 46.980 -31.397 1.00 0.00 C ATOM 61 C GLY A 7 -33.342 45.915 -30.356 1.00 0.00 C ATOM 62 O GLY A 7 -33.969 46.192 -29.333 1.00 0.00 O ATOM 0 H GLY A 7 -34.359 48.225 -30.330 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -33.213 46.563 -32.392 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -32.006 47.271 -31.336 1.00 0.00 H new ATOM 66 N ILE A 8 -32.885 44.696 -30.618 1.00 0.00 N ATOM 67 CA ILE A 8 -33.096 43.587 -29.696 1.00 0.00 C ATOM 68 C ILE A 8 -31.864 42.692 -29.619 1.00 0.00 C ATOM 69 O ILE A 8 -31.223 42.412 -30.633 1.00 0.00 O ATOM 70 CB ILE A 8 -34.310 42.734 -30.111 1.00 0.00 C ATOM 71 CG1 ILE A 8 -35.575 43.594 -30.152 1.00 0.00 C ATOM 72 CG2 ILE A 8 -34.489 41.566 -29.153 1.00 0.00 C ATOM 73 CD1 ILE A 8 -36.682 43.001 -30.996 1.00 0.00 C ATOM 0 H ILE A 8 -32.366 44.451 -31.461 1.00 0.00 H new ATOM 0 HA ILE A 8 -33.286 44.024 -28.716 1.00 0.00 H new ATOM 0 HB ILE A 8 -34.131 42.336 -31.110 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -35.941 43.736 -29.135 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -35.322 44.580 -30.541 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -35.351 40.973 -29.459 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -33.595 40.942 -29.168 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -34.650 41.945 -28.144 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -37.547 43.664 -30.979 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -36.334 42.884 -32.022 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -36.963 42.027 -30.595 1.00 0.00 H new ATOM 85 N HIS A 9 -31.538 42.246 -28.411 1.00 0.00 N ATOM 86 CA HIS A 9 -30.383 41.380 -28.201 1.00 0.00 C ATOM 87 C HIS A 9 -30.704 40.280 -27.194 1.00 0.00 C ATOM 88 O HIS A 9 -31.789 40.253 -26.614 1.00 0.00 O ATOM 89 CB HIS A 9 -29.187 42.199 -27.715 1.00 0.00 C ATOM 90 CG HIS A 9 -29.145 42.375 -26.229 1.00 0.00 C ATOM 91 ND1 HIS A 9 -28.164 41.823 -25.432 1.00 0.00 N ATOM 92 CD2 HIS A 9 -29.971 43.048 -25.394 1.00 0.00 C ATOM 93 CE1 HIS A 9 -28.389 42.147 -24.172 1.00 0.00 C ATOM 94 NE2 HIS A 9 -29.480 42.891 -24.121 1.00 0.00 N ATOM 0 H HIS A 9 -32.057 42.470 -27.562 1.00 0.00 H new ATOM 0 HA HIS A 9 -30.132 40.914 -29.154 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -28.268 41.712 -28.041 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -29.213 43.181 -28.188 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -30.852 43.605 -25.676 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -27.784 41.854 -23.327 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -29.891 43.285 -23.274 1.00 0.00 H new ATOM 102 N HIS A 10 -29.753 39.373 -26.993 1.00 0.00 N ATOM 103 CA HIS A 10 -29.934 38.270 -26.056 1.00 0.00 C ATOM 104 C HIS A 10 -28.629 37.505 -25.857 1.00 0.00 C ATOM 105 O HIS A 10 -27.708 37.607 -26.668 1.00 0.00 O ATOM 106 CB HIS A 10 -31.023 37.321 -26.557 1.00 0.00 C ATOM 107 CG HIS A 10 -32.410 37.757 -26.197 1.00 0.00 C ATOM 108 ND1 HIS A 10 -33.348 38.134 -27.135 1.00 0.00 N ATOM 109 CD2 HIS A 10 -33.017 37.873 -24.993 1.00 0.00 C ATOM 110 CE1 HIS A 10 -34.471 38.465 -26.523 1.00 0.00 C ATOM 111 NE2 HIS A 10 -34.297 38.315 -25.222 1.00 0.00 N ATOM 0 H HIS A 10 -28.850 39.380 -27.466 1.00 0.00 H new ATOM 0 HA HIS A 10 -30.239 38.688 -25.097 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -30.948 37.235 -27.641 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -30.845 36.327 -26.145 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -32.577 37.658 -24.031 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -35.377 38.801 -27.004 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -34.999 38.498 -24.505 1.00 0.00 H new ATOM 119 N LEU A 11 -28.557 36.740 -24.773 1.00 0.00 N ATOM 120 CA LEU A 11 -27.364 35.959 -24.467 1.00 0.00 C ATOM 121 C LEU A 11 -27.723 34.701 -23.682 1.00 0.00 C ATOM 122 O LEU A 11 -28.500 34.736 -22.728 1.00 0.00 O ATOM 123 CB LEU A 11 -26.367 36.803 -23.670 1.00 0.00 C ATOM 124 CG LEU A 11 -24.962 36.219 -23.519 1.00 0.00 C ATOM 125 CD1 LEU A 11 -24.164 36.412 -24.799 1.00 0.00 C ATOM 126 CD2 LEU A 11 -24.244 36.855 -22.338 1.00 0.00 C ATOM 0 H LEU A 11 -29.310 36.644 -24.092 1.00 0.00 H new ATOM 0 HA LEU A 11 -26.905 35.659 -25.409 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -26.284 37.779 -24.149 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -26.778 36.971 -22.674 1.00 0.00 H new ATOM 0 HG LEU A 11 -25.052 35.149 -23.329 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -23.167 35.990 -24.673 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -24.670 35.908 -25.623 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -24.083 37.476 -25.020 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -23.246 36.427 -22.246 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -24.165 37.930 -22.497 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -24.807 36.664 -21.424 1.00 0.00 H new ATOM 138 N PRO A 12 -27.144 33.562 -24.091 1.00 0.00 N ATOM 139 CA PRO A 12 -27.387 32.272 -23.439 1.00 0.00 C ATOM 140 C PRO A 12 -26.768 32.202 -22.047 1.00 0.00 C ATOM 141 O PRO A 12 -25.585 32.482 -21.851 1.00 0.00 O ATOM 142 CB PRO A 12 -26.711 31.268 -24.376 1.00 0.00 C ATOM 143 CG PRO A 12 -25.658 32.055 -25.078 1.00 0.00 C ATOM 144 CD PRO A 12 -26.208 33.447 -25.222 1.00 0.00 C ATOM 0 HA PRO A 12 -28.450 32.085 -23.288 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -26.279 30.436 -23.820 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -27.424 30.843 -25.082 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -24.729 32.060 -24.508 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -25.432 31.622 -26.052 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -25.420 34.198 -25.169 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -26.714 33.582 -26.178 1.00 0.00 H new ATOM 152 N PRO A 13 -27.585 31.818 -21.054 1.00 0.00 N ATOM 153 CA PRO A 13 -27.139 31.700 -19.663 1.00 0.00 C ATOM 154 C PRO A 13 -26.180 30.532 -19.458 1.00 0.00 C ATOM 155 O PRO A 13 -25.834 29.827 -20.405 1.00 0.00 O ATOM 156 CB PRO A 13 -28.440 31.465 -18.892 1.00 0.00 C ATOM 157 CG PRO A 13 -29.366 30.857 -19.888 1.00 0.00 C ATOM 158 CD PRO A 13 -29.006 31.468 -21.214 1.00 0.00 C ATOM 0 HA PRO A 13 -26.587 32.581 -19.336 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -28.282 30.801 -18.042 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -28.841 32.399 -18.497 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -29.254 29.773 -19.914 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -30.405 31.064 -19.632 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -29.157 30.766 -22.034 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -29.614 32.346 -21.430 1.00 0.00 H new ATOM 166 N VAL A 14 -25.754 30.333 -18.214 1.00 0.00 N ATOM 167 CA VAL A 14 -24.836 29.249 -17.885 1.00 0.00 C ATOM 168 C VAL A 14 -25.476 28.263 -16.915 1.00 0.00 C ATOM 169 O VAL A 14 -26.099 28.659 -15.930 1.00 0.00 O ATOM 170 CB VAL A 14 -23.532 29.787 -17.267 1.00 0.00 C ATOM 171 CG1 VAL A 14 -22.578 28.644 -16.954 1.00 0.00 C ATOM 172 CG2 VAL A 14 -22.878 30.797 -18.198 1.00 0.00 C ATOM 0 H VAL A 14 -26.030 30.908 -17.418 1.00 0.00 H new ATOM 0 HA VAL A 14 -24.603 28.737 -18.818 1.00 0.00 H new ATOM 0 HB VAL A 14 -23.775 30.292 -16.332 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -21.662 29.043 -16.518 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -23.048 27.961 -16.247 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -22.339 28.108 -17.872 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -21.958 31.167 -17.745 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -22.647 30.318 -19.150 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -23.560 31.631 -18.367 1.00 0.00 H new ATOM 182 N LYS A 15 -25.319 26.975 -17.200 1.00 0.00 N ATOM 183 CA LYS A 15 -25.879 25.929 -16.353 1.00 0.00 C ATOM 184 C LYS A 15 -24.840 24.852 -16.057 1.00 0.00 C ATOM 185 O LYS A 15 -23.983 24.559 -16.890 1.00 0.00 O ATOM 186 CB LYS A 15 -27.102 25.300 -17.025 1.00 0.00 C ATOM 187 CG LYS A 15 -28.398 26.042 -16.745 1.00 0.00 C ATOM 188 CD LYS A 15 -29.520 25.567 -17.654 1.00 0.00 C ATOM 189 CE LYS A 15 -30.617 26.614 -17.779 1.00 0.00 C ATOM 190 NZ LYS A 15 -31.538 26.594 -16.609 1.00 0.00 N ATOM 0 H LYS A 15 -24.808 26.630 -18.012 1.00 0.00 H new ATOM 0 HA LYS A 15 -26.183 26.385 -15.411 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -26.937 25.267 -18.102 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -27.203 24.269 -16.686 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -28.685 25.895 -15.704 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -28.243 27.112 -16.885 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -29.118 25.340 -18.641 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -29.941 24.642 -17.261 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -30.167 27.603 -17.870 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -31.186 26.437 -18.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -32.271 27.321 -16.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -31.987 25.659 -16.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -31.000 26.788 -15.740 1.00 0.00 H new ATOM 204 N ALA A 16 -24.923 24.267 -14.867 1.00 0.00 N ATOM 205 CA ALA A 16 -23.991 23.221 -14.464 1.00 0.00 C ATOM 206 C ALA A 16 -24.663 22.215 -13.535 1.00 0.00 C ATOM 207 O ALA A 16 -25.471 22.571 -12.677 1.00 0.00 O ATOM 208 CB ALA A 16 -22.771 23.832 -13.789 1.00 0.00 C ATOM 0 H ALA A 16 -25.626 24.499 -14.165 1.00 0.00 H new ATOM 0 HA ALA A 16 -23.669 22.690 -15.360 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -22.084 23.039 -13.493 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -22.270 24.506 -14.484 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -23.084 24.389 -12.906 1.00 0.00 H new ATOM 214 N PRO A 17 -24.325 20.929 -13.709 1.00 0.00 N ATOM 215 CA PRO A 17 -24.884 19.846 -12.896 1.00 0.00 C ATOM 216 C PRO A 17 -24.385 19.885 -11.456 1.00 0.00 C ATOM 217 O PRO A 17 -23.384 20.536 -11.152 1.00 0.00 O ATOM 218 CB PRO A 17 -24.389 18.581 -13.600 1.00 0.00 C ATOM 219 CG PRO A 17 -23.147 19.003 -14.308 1.00 0.00 C ATOM 220 CD PRO A 17 -23.368 20.434 -14.713 1.00 0.00 C ATOM 0 HA PRO A 17 -25.970 19.911 -12.822 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -24.186 17.784 -12.885 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -25.133 18.200 -14.299 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -22.277 18.911 -13.658 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -22.962 18.375 -15.179 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -22.439 21.004 -14.698 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -23.771 20.508 -15.723 1.00 0.00 H new ATOM 228 N LEU A 18 -25.086 19.183 -10.572 1.00 0.00 N ATOM 229 CA LEU A 18 -24.712 19.136 -9.163 1.00 0.00 C ATOM 230 C LEU A 18 -24.907 17.735 -8.594 1.00 0.00 C ATOM 231 O LEU A 18 -26.034 17.251 -8.483 1.00 0.00 O ATOM 232 CB LEU A 18 -25.539 20.144 -8.362 1.00 0.00 C ATOM 233 CG LEU A 18 -25.154 21.614 -8.532 1.00 0.00 C ATOM 234 CD1 LEU A 18 -26.362 22.511 -8.310 1.00 0.00 C ATOM 235 CD2 LEU A 18 -24.030 21.984 -7.576 1.00 0.00 C ATOM 0 H LEU A 18 -25.916 18.639 -10.806 1.00 0.00 H new ATOM 0 HA LEU A 18 -23.656 19.396 -9.084 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -26.586 20.029 -8.642 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -25.462 19.889 -7.305 1.00 0.00 H new ATOM 0 HG LEU A 18 -24.800 21.762 -9.552 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -26.069 23.553 -8.435 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -27.138 22.263 -9.034 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -26.746 22.361 -7.301 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -23.769 23.034 -7.711 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -24.357 21.820 -6.549 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -23.158 21.364 -7.782 1.00 0.00 H new ATOM 247 N GLN A 19 -23.803 17.089 -8.232 1.00 0.00 N ATOM 248 CA GLN A 19 -23.854 15.744 -7.673 1.00 0.00 C ATOM 249 C GLN A 19 -22.828 15.579 -6.556 1.00 0.00 C ATOM 250 O GLN A 19 -21.781 16.228 -6.559 1.00 0.00 O ATOM 251 CB GLN A 19 -23.606 14.704 -8.767 1.00 0.00 C ATOM 252 CG GLN A 19 -22.196 14.743 -9.334 1.00 0.00 C ATOM 253 CD GLN A 19 -21.958 13.673 -10.382 1.00 0.00 C ATOM 254 OE1 GLN A 19 -22.286 13.853 -11.555 1.00 0.00 O ATOM 255 NE2 GLN A 19 -21.386 12.550 -9.963 1.00 0.00 N ATOM 0 H GLN A 19 -22.863 17.476 -8.316 1.00 0.00 H new ATOM 0 HA GLN A 19 -24.848 15.590 -7.254 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -23.799 13.710 -8.363 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -24.319 14.863 -9.576 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -22.012 15.724 -9.773 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -21.479 14.618 -8.523 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -21.130 12.443 -8.981 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -21.202 11.794 -10.623 1.00 0.00 H new ATOM 264 N THR A 20 -23.135 14.707 -5.601 1.00 0.00 N ATOM 265 CA THR A 20 -22.241 14.458 -4.477 1.00 0.00 C ATOM 266 C THR A 20 -22.048 12.964 -4.248 1.00 0.00 C ATOM 267 O THR A 20 -23.013 12.200 -4.221 1.00 0.00 O ATOM 268 CB THR A 20 -22.773 15.100 -3.182 1.00 0.00 C ATOM 269 OG1 THR A 20 -22.982 16.503 -3.381 1.00 0.00 O ATOM 270 CG2 THR A 20 -21.802 14.885 -2.032 1.00 0.00 C ATOM 0 H THR A 20 -23.996 14.161 -5.584 1.00 0.00 H new ATOM 0 HA THR A 20 -21.282 14.911 -4.730 1.00 0.00 H new ATOM 0 HB THR A 20 -23.720 14.624 -2.930 1.00 0.00 H new ATOM 0 HG1 THR A 20 -23.322 16.904 -2.554 1.00 0.00 H new ATOM 0 HG21 THR A 20 -22.200 15.347 -1.129 1.00 0.00 H new ATOM 0 HG22 THR A 20 -21.668 13.816 -1.864 1.00 0.00 H new ATOM 0 HG23 THR A 20 -20.841 15.337 -2.278 1.00 0.00 H new ATOM 278 N LYS A 21 -20.796 12.551 -4.083 1.00 0.00 N ATOM 279 CA LYS A 21 -20.476 11.148 -3.854 1.00 0.00 C ATOM 280 C LYS A 21 -19.287 11.008 -2.909 1.00 0.00 C ATOM 281 O LYS A 21 -18.507 11.945 -2.732 1.00 0.00 O ATOM 282 CB LYS A 21 -20.171 10.449 -5.181 1.00 0.00 C ATOM 283 CG LYS A 21 -21.406 9.914 -5.884 1.00 0.00 C ATOM 284 CD LYS A 21 -21.874 8.605 -5.271 1.00 0.00 C ATOM 285 CE LYS A 21 -20.995 7.442 -5.703 1.00 0.00 C ATOM 286 NZ LYS A 21 -19.831 7.258 -4.792 1.00 0.00 N ATOM 0 H LYS A 21 -19.985 13.170 -4.104 1.00 0.00 H new ATOM 0 HA LYS A 21 -21.343 10.675 -3.392 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -19.662 11.150 -5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -19.482 9.625 -4.998 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -22.207 10.651 -5.825 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -21.188 9.764 -6.941 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -21.863 8.687 -4.184 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -22.905 8.412 -5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -21.588 6.527 -5.724 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -20.638 7.614 -6.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.968 7.606 -5.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -19.990 7.791 -3.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -19.721 6.248 -4.569 1.00 0.00 H new ATOM 300 N LYS A 22 -19.151 9.832 -2.305 1.00 0.00 N ATOM 301 CA LYS A 22 -18.056 9.568 -1.380 1.00 0.00 C ATOM 302 C LYS A 22 -17.457 8.187 -1.626 1.00 0.00 C ATOM 303 O LYS A 22 -18.181 7.213 -1.839 1.00 0.00 O ATOM 304 CB LYS A 22 -18.545 9.673 0.066 1.00 0.00 C ATOM 305 CG LYS A 22 -19.664 8.702 0.402 1.00 0.00 C ATOM 306 CD LYS A 22 -21.025 9.275 0.045 1.00 0.00 C ATOM 307 CE LYS A 22 -22.074 8.181 -0.084 1.00 0.00 C ATOM 308 NZ LYS A 22 -22.676 7.832 1.233 1.00 0.00 N ATOM 0 H LYS A 22 -19.787 9.046 -2.440 1.00 0.00 H new ATOM 0 HA LYS A 22 -17.282 10.316 -1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -17.706 9.494 0.738 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -18.890 10.690 0.251 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -19.509 7.767 -0.136 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -19.635 8.466 1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -21.333 9.987 0.810 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -20.955 9.825 -0.893 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -22.858 8.508 -0.767 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -21.620 7.292 -0.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -23.386 7.083 1.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -21.932 7.495 1.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -23.131 8.674 1.640 1.00 0.00 H new ATOM 322 N LYS A 23 -16.131 8.107 -1.595 1.00 0.00 N ATOM 323 CA LYS A 23 -15.434 6.845 -1.812 1.00 0.00 C ATOM 324 C LYS A 23 -13.937 7.001 -1.566 1.00 0.00 C ATOM 325 O LYS A 23 -13.438 8.115 -1.403 1.00 0.00 O ATOM 326 CB LYS A 23 -15.677 6.343 -3.237 1.00 0.00 C ATOM 327 CG LYS A 23 -15.290 7.345 -4.310 1.00 0.00 C ATOM 328 CD LYS A 23 -13.844 7.170 -4.742 1.00 0.00 C ATOM 329 CE LYS A 23 -13.268 8.462 -5.300 1.00 0.00 C ATOM 330 NZ LYS A 23 -13.722 8.715 -6.695 1.00 0.00 N ATOM 0 H LYS A 23 -15.517 8.903 -1.421 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.827 6.115 -1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -15.112 5.423 -3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -16.732 6.092 -3.350 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.945 7.226 -5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -15.438 8.357 -3.934 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.246 6.842 -3.892 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.781 6.387 -5.497 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.565 9.296 -4.665 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.179 8.415 -5.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.308 9.605 -7.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.417 7.931 -7.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.759 8.786 -6.715 1.00 0.00 H new ATOM 344 N ILE A 24 -13.226 5.878 -1.540 1.00 0.00 N ATOM 345 CA ILE A 24 -11.786 5.892 -1.316 1.00 0.00 C ATOM 346 C ILE A 24 -11.049 6.482 -2.514 1.00 0.00 C ATOM 347 O ILE A 24 -11.153 5.975 -3.631 1.00 0.00 O ATOM 348 CB ILE A 24 -11.246 4.476 -1.042 1.00 0.00 C ATOM 349 CG1 ILE A 24 -11.886 3.898 0.222 1.00 0.00 C ATOM 350 CG2 ILE A 24 -9.731 4.503 -0.910 1.00 0.00 C ATOM 351 CD1 ILE A 24 -13.171 3.144 -0.042 1.00 0.00 C ATOM 0 H ILE A 24 -13.624 4.948 -1.671 1.00 0.00 H new ATOM 0 HA ILE A 24 -11.609 6.516 -0.440 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.506 3.835 -1.884 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.175 3.229 0.706 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.087 4.710 0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.365 3.495 -0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.292 4.877 -1.835 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.449 5.156 -0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.569 2.762 0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.899 3.815 -0.498 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.972 2.311 -0.716 1.00 0.00 H new ATOM 363 N MET A 25 -10.302 7.554 -2.272 1.00 0.00 N ATOM 364 CA MET A 25 -9.545 8.212 -3.331 1.00 0.00 C ATOM 365 C MET A 25 -8.090 7.754 -3.322 1.00 0.00 C ATOM 366 O MET A 25 -7.236 8.375 -2.689 1.00 0.00 O ATOM 367 CB MET A 25 -9.614 9.731 -3.169 1.00 0.00 C ATOM 368 CG MET A 25 -8.760 10.489 -4.172 1.00 0.00 C ATOM 369 SD MET A 25 -9.294 10.229 -5.875 1.00 0.00 S ATOM 370 CE MET A 25 -9.530 11.920 -6.417 1.00 0.00 C ATOM 0 H MET A 25 -10.205 7.985 -1.353 1.00 0.00 H new ATOM 0 HA MET A 25 -9.990 7.936 -4.287 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.651 10.052 -3.271 1.00 0.00 H new ATOM 0 HB3 MET A 25 -9.296 9.995 -2.160 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.796 11.554 -3.943 1.00 0.00 H new ATOM 0 HG3 MET A 25 -7.721 10.176 -4.069 1.00 0.00 H new ATOM 0 HE1 MET A 25 -9.862 11.926 -7.455 1.00 0.00 H new ATOM 0 HE2 MET A 25 -10.283 12.400 -5.792 1.00 0.00 H new ATOM 0 HE3 MET A 25 -8.589 12.464 -6.333 1.00 0.00 H new ATOM 380 N LYS A 26 -7.813 6.664 -4.030 1.00 0.00 N ATOM 381 CA LYS A 26 -6.461 6.122 -4.105 1.00 0.00 C ATOM 382 C LYS A 26 -6.193 5.519 -5.480 1.00 0.00 C ATOM 383 O LYS A 26 -6.958 4.683 -5.963 1.00 0.00 O ATOM 384 CB LYS A 26 -6.253 5.062 -3.022 1.00 0.00 C ATOM 385 CG LYS A 26 -5.750 5.628 -1.705 1.00 0.00 C ATOM 386 CD LYS A 26 -5.100 4.555 -0.849 1.00 0.00 C ATOM 387 CE LYS A 26 -4.727 5.088 0.526 1.00 0.00 C ATOM 388 NZ LYS A 26 -3.400 5.765 0.517 1.00 0.00 N ATOM 0 H LYS A 26 -8.508 6.138 -4.561 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.759 6.940 -3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.195 4.543 -2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.542 4.320 -3.384 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.031 6.424 -1.901 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.581 6.076 -1.160 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.782 3.712 -0.741 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.207 4.180 -1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.490 5.789 0.863 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.711 4.266 1.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.182 6.114 1.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.667 5.089 0.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.423 6.565 -0.147 1.00 0.00 H new ATOM 402 N HIS A 27 -5.100 5.946 -6.106 1.00 0.00 N ATOM 403 CA HIS A 27 -4.730 5.446 -7.425 1.00 0.00 C ATOM 404 C HIS A 27 -3.221 5.245 -7.526 1.00 0.00 C ATOM 405 O HIS A 27 -2.441 6.089 -7.085 1.00 0.00 O ATOM 406 CB HIS A 27 -5.201 6.413 -8.511 1.00 0.00 C ATOM 407 CG HIS A 27 -4.995 7.854 -8.160 1.00 0.00 C ATOM 408 ND1 HIS A 27 -6.013 8.675 -7.722 1.00 0.00 N ATOM 409 CD2 HIS A 27 -3.880 8.620 -8.183 1.00 0.00 C ATOM 410 CE1 HIS A 27 -5.533 9.884 -7.492 1.00 0.00 C ATOM 411 NE2 HIS A 27 -4.240 9.877 -7.764 1.00 0.00 N ATOM 0 H HIS A 27 -4.456 6.637 -5.721 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.218 4.482 -7.571 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.669 6.193 -9.437 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.260 6.242 -8.704 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.891 8.302 -8.476 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -6.101 10.733 -7.141 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.611 10.676 -7.677 1.00 0.00 H new ATOM 419 N CYS A 28 -2.816 4.121 -8.108 1.00 0.00 N ATOM 420 CA CYS A 28 -1.401 3.807 -8.266 1.00 0.00 C ATOM 421 C CYS A 28 -0.595 5.068 -8.562 1.00 0.00 C ATOM 422 O CYS A 28 -1.110 6.026 -9.139 1.00 0.00 O ATOM 423 CB CYS A 28 -1.206 2.787 -9.390 1.00 0.00 C ATOM 424 SG CYS A 28 0.531 2.316 -9.672 1.00 0.00 S ATOM 0 H CYS A 28 -3.449 3.412 -8.478 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.042 3.379 -7.330 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.781 1.891 -9.157 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.615 3.197 -10.313 1.00 0.00 H new ATOM 429 N PHE A 29 0.673 5.060 -8.164 1.00 0.00 N ATOM 430 CA PHE A 29 1.551 6.203 -8.386 1.00 0.00 C ATOM 431 C PHE A 29 2.414 5.993 -9.627 1.00 0.00 C ATOM 432 O PHE A 29 2.823 6.952 -10.282 1.00 0.00 O ATOM 433 CB PHE A 29 2.443 6.432 -7.164 1.00 0.00 C ATOM 434 CG PHE A 29 3.506 7.471 -7.384 1.00 0.00 C ATOM 435 CD1 PHE A 29 3.166 8.758 -7.771 1.00 0.00 C ATOM 436 CD2 PHE A 29 4.844 7.161 -7.203 1.00 0.00 C ATOM 437 CE1 PHE A 29 4.142 9.715 -7.974 1.00 0.00 C ATOM 438 CE2 PHE A 29 5.824 8.114 -7.405 1.00 0.00 C ATOM 439 CZ PHE A 29 5.472 9.393 -7.790 1.00 0.00 C ATOM 0 H PHE A 29 1.115 4.275 -7.686 1.00 0.00 H new ATOM 0 HA PHE A 29 0.928 7.083 -8.543 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.821 6.733 -6.321 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.918 5.490 -6.889 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.127 9.016 -7.915 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.124 6.163 -6.900 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.865 10.714 -8.276 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.864 7.859 -7.262 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.236 10.140 -7.947 1.00 0.00 H new ATOM 449 N LEU A 30 2.688 4.732 -9.943 1.00 0.00 N ATOM 450 CA LEU A 30 3.502 4.394 -11.105 1.00 0.00 C ATOM 451 C LEU A 30 2.759 4.705 -12.400 1.00 0.00 C ATOM 452 O LEU A 30 3.141 5.607 -13.146 1.00 0.00 O ATOM 453 CB LEU A 30 3.889 2.914 -11.068 1.00 0.00 C ATOM 454 CG LEU A 30 4.831 2.439 -12.175 1.00 0.00 C ATOM 455 CD1 LEU A 30 6.167 3.160 -12.086 1.00 0.00 C ATOM 456 CD2 LEU A 30 5.029 0.932 -12.097 1.00 0.00 C ATOM 0 H LEU A 30 2.358 3.927 -9.411 1.00 0.00 H new ATOM 0 HA LEU A 30 4.407 5.001 -11.073 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.357 2.705 -10.106 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.977 2.319 -11.115 1.00 0.00 H new ATOM 0 HG LEU A 30 4.378 2.676 -13.137 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.824 2.809 -12.882 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.009 4.233 -12.193 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.627 2.956 -11.119 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.702 0.612 -12.892 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.460 0.671 -11.130 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.067 0.432 -12.213 1.00 0.00 H new ATOM 468 N CYS A 31 1.695 3.953 -12.660 1.00 0.00 N ATOM 469 CA CYS A 31 0.896 4.149 -13.864 1.00 0.00 C ATOM 470 C CYS A 31 -0.277 5.087 -13.592 1.00 0.00 C ATOM 471 O CYS A 31 -0.529 6.019 -14.354 1.00 0.00 O ATOM 472 CB CYS A 31 0.379 2.805 -14.382 1.00 0.00 C ATOM 473 SG CYS A 31 -0.774 1.965 -13.249 1.00 0.00 S ATOM 0 H CYS A 31 1.366 3.202 -12.053 1.00 0.00 H new ATOM 0 HA CYS A 31 1.533 4.603 -14.623 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -0.119 2.964 -15.338 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.229 2.149 -14.570 1.00 0.00 H new ATOM 478 N GLY A 32 -0.990 4.832 -12.499 1.00 0.00 N ATOM 479 CA GLY A 32 -2.127 5.662 -12.146 1.00 0.00 C ATOM 480 C GLY A 32 -3.443 4.917 -12.250 1.00 0.00 C ATOM 481 O GLY A 32 -4.495 5.523 -12.454 1.00 0.00 O ATOM 0 H GLY A 32 -0.801 4.066 -11.852 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.001 6.031 -11.128 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.154 6.534 -12.800 1.00 0.00 H new ATOM 485 N LYS A 33 -3.387 3.596 -12.110 1.00 0.00 N ATOM 486 CA LYS A 33 -4.582 2.766 -12.190 1.00 0.00 C ATOM 487 C LYS A 33 -5.389 2.849 -10.898 1.00 0.00 C ATOM 488 O LYS A 33 -4.858 2.642 -9.807 1.00 0.00 O ATOM 489 CB LYS A 33 -4.200 1.311 -12.472 1.00 0.00 C ATOM 490 CG LYS A 33 -5.375 0.351 -12.412 1.00 0.00 C ATOM 491 CD LYS A 33 -5.049 -0.972 -13.085 1.00 0.00 C ATOM 492 CE LYS A 33 -5.042 -0.840 -14.600 1.00 0.00 C ATOM 493 NZ LYS A 33 -6.388 -1.093 -15.185 1.00 0.00 N ATOM 0 H LYS A 33 -2.525 3.078 -11.940 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.198 3.138 -13.008 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.741 1.249 -13.459 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.447 0.996 -11.750 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.648 0.174 -11.372 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.241 0.803 -12.896 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.075 -1.324 -12.745 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.781 -1.723 -12.788 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.708 0.160 -14.876 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.324 -1.543 -15.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.341 -0.993 -16.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.696 -2.057 -14.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.068 -0.406 -14.801 1.00 0.00 H new ATOM 507 N LYS A 34 -6.676 3.153 -11.029 1.00 0.00 N ATOM 508 CA LYS A 34 -7.559 3.261 -9.873 1.00 0.00 C ATOM 509 C LYS A 34 -7.290 2.138 -8.877 1.00 0.00 C ATOM 510 O LYS A 34 -7.424 0.958 -9.204 1.00 0.00 O ATOM 511 CB LYS A 34 -9.022 3.224 -10.318 1.00 0.00 C ATOM 512 CG LYS A 34 -9.582 4.588 -10.683 1.00 0.00 C ATOM 513 CD LYS A 34 -10.183 5.286 -9.474 1.00 0.00 C ATOM 514 CE LYS A 34 -10.739 6.654 -9.839 1.00 0.00 C ATOM 515 NZ LYS A 34 -12.068 6.554 -10.503 1.00 0.00 N ATOM 0 H LYS A 34 -7.131 3.329 -11.925 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.360 4.213 -9.382 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.115 2.561 -11.178 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.626 2.795 -9.518 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.790 5.207 -11.105 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.343 4.475 -11.455 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.978 4.669 -9.054 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.423 5.396 -8.701 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.828 7.262 -8.939 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.040 7.165 -10.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.412 7.507 -10.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.979 5.995 -11.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.742 6.089 -9.862 1.00 0.00 H new ATOM 529 N THR A 35 -6.912 2.511 -7.658 1.00 0.00 N ATOM 530 CA THR A 35 -6.626 1.535 -6.614 1.00 0.00 C ATOM 531 C THR A 35 -7.507 1.763 -5.391 1.00 0.00 C ATOM 532 O THR A 35 -7.299 2.709 -4.632 1.00 0.00 O ATOM 533 CB THR A 35 -5.147 1.590 -6.185 1.00 0.00 C ATOM 534 OG1 THR A 35 -4.738 2.950 -6.010 1.00 0.00 O ATOM 535 CG2 THR A 35 -4.259 0.916 -7.219 1.00 0.00 C ATOM 0 H THR A 35 -6.797 3.483 -7.370 1.00 0.00 H new ATOM 0 HA THR A 35 -6.840 0.552 -7.033 1.00 0.00 H new ATOM 0 HB THR A 35 -5.045 1.057 -5.240 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.917 3.229 -5.088 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.220 0.967 -6.895 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.554 -0.128 -7.327 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.366 1.425 -8.177 1.00 0.00 H new ATOM 543 N GLY A 36 -8.492 0.890 -5.206 1.00 0.00 N ATOM 544 CA GLY A 36 -9.390 1.014 -4.073 1.00 0.00 C ATOM 545 C GLY A 36 -8.776 0.497 -2.787 1.00 0.00 C ATOM 546 O GLY A 36 -7.854 1.105 -2.242 1.00 0.00 O ATOM 0 H GLY A 36 -8.684 0.099 -5.821 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.666 2.061 -3.945 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.309 0.465 -4.280 1.00 0.00 H new ATOM 550 N LEU A 37 -9.288 -0.628 -2.300 1.00 0.00 N ATOM 551 CA LEU A 37 -8.785 -1.227 -1.068 1.00 0.00 C ATOM 552 C LEU A 37 -8.166 -2.594 -1.341 1.00 0.00 C ATOM 553 O LEU A 37 -7.018 -2.851 -0.979 1.00 0.00 O ATOM 554 CB LEU A 37 -9.914 -1.361 -0.045 1.00 0.00 C ATOM 555 CG LEU A 37 -9.503 -1.837 1.349 1.00 0.00 C ATOM 556 CD1 LEU A 37 -8.781 -0.729 2.100 1.00 0.00 C ATOM 557 CD2 LEU A 37 -10.720 -2.309 2.131 1.00 0.00 C ATOM 0 H LEU A 37 -10.051 -1.144 -2.739 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.013 -0.573 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.405 -0.393 0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.655 -2.055 -0.440 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.819 -2.678 1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.496 -1.086 3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.887 -0.438 1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.441 0.132 2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.409 -2.644 3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.429 -1.487 2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.195 -3.134 1.601 1.00 0.00 H new ATOM 569 N ALA A 38 -8.934 -3.468 -1.984 1.00 0.00 N ATOM 570 CA ALA A 38 -8.459 -4.807 -2.310 1.00 0.00 C ATOM 571 C ALA A 38 -7.319 -4.755 -3.321 1.00 0.00 C ATOM 572 O ALA A 38 -6.251 -5.326 -3.098 1.00 0.00 O ATOM 573 CB ALA A 38 -9.603 -5.657 -2.844 1.00 0.00 C ATOM 0 H ALA A 38 -9.887 -3.273 -2.289 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.078 -5.263 -1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.234 -6.654 -3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.385 -5.731 -2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.010 -5.195 -3.743 1.00 0.00 H new ATOM 579 N THR A 39 -7.552 -4.068 -4.434 1.00 0.00 N ATOM 580 CA THR A 39 -6.546 -3.943 -5.481 1.00 0.00 C ATOM 581 C THR A 39 -5.442 -2.976 -5.069 1.00 0.00 C ATOM 582 O THR A 39 -4.415 -2.869 -5.739 1.00 0.00 O ATOM 583 CB THR A 39 -7.168 -3.460 -6.804 1.00 0.00 C ATOM 584 OG1 THR A 39 -6.203 -3.547 -7.859 1.00 0.00 O ATOM 585 CG2 THR A 39 -7.662 -2.027 -6.679 1.00 0.00 C ATOM 0 H THR A 39 -8.430 -3.589 -4.634 1.00 0.00 H new ATOM 0 HA THR A 39 -6.120 -4.935 -5.630 1.00 0.00 H new ATOM 0 HB THR A 39 -8.018 -4.101 -7.036 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.307 -3.383 -7.497 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.097 -1.708 -7.626 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.417 -1.970 -5.895 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.826 -1.375 -6.426 1.00 0.00 H new ATOM 593 N SER A 40 -5.660 -2.272 -3.962 1.00 0.00 N ATOM 594 CA SER A 40 -4.684 -1.311 -3.463 1.00 0.00 C ATOM 595 C SER A 40 -3.723 -1.973 -2.480 1.00 0.00 C ATOM 596 O SER A 40 -4.140 -2.710 -1.587 1.00 0.00 O ATOM 597 CB SER A 40 -5.394 -0.136 -2.787 1.00 0.00 C ATOM 598 OG SER A 40 -5.944 -0.523 -1.539 1.00 0.00 O ATOM 0 H SER A 40 -6.504 -2.350 -3.394 1.00 0.00 H new ATOM 0 HA SER A 40 -4.109 -0.940 -4.312 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.690 0.683 -2.640 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.185 0.238 -3.437 1.00 0.00 H new ATOM 0 HG SER A 40 -5.939 -1.500 -1.468 1.00 0.00 H new ATOM 604 N PHE A 41 -2.433 -1.704 -2.652 1.00 0.00 N ATOM 605 CA PHE A 41 -1.411 -2.274 -1.782 1.00 0.00 C ATOM 606 C PHE A 41 -0.427 -1.201 -1.324 1.00 0.00 C ATOM 607 O PHE A 41 -0.282 -0.163 -1.967 1.00 0.00 O ATOM 608 CB PHE A 41 -0.661 -3.394 -2.506 1.00 0.00 C ATOM 609 CG PHE A 41 -1.559 -4.485 -3.015 1.00 0.00 C ATOM 610 CD1 PHE A 41 -2.439 -4.245 -4.058 1.00 0.00 C ATOM 611 CD2 PHE A 41 -1.521 -5.750 -2.452 1.00 0.00 C ATOM 612 CE1 PHE A 41 -3.267 -5.247 -4.528 1.00 0.00 C ATOM 613 CE2 PHE A 41 -2.347 -6.757 -2.918 1.00 0.00 C ATOM 614 CZ PHE A 41 -3.220 -6.505 -3.958 1.00 0.00 C ATOM 0 H PHE A 41 -2.071 -1.095 -3.386 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.906 -2.687 -0.903 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.109 -2.968 -3.344 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.074 -3.826 -1.827 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.478 -3.264 -4.509 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.839 -5.952 -1.640 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.950 -5.047 -5.340 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.309 -7.739 -2.469 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.865 -7.290 -4.325 1.00 0.00 H new ATOM 624 N GLU A 42 0.245 -1.462 -0.207 1.00 0.00 N ATOM 625 CA GLU A 42 1.214 -0.518 0.338 1.00 0.00 C ATOM 626 C GLU A 42 2.636 -1.054 0.195 1.00 0.00 C ATOM 627 O GLU A 42 2.915 -2.204 0.534 1.00 0.00 O ATOM 628 CB GLU A 42 0.910 -0.234 1.811 1.00 0.00 C ATOM 629 CG GLU A 42 1.925 0.680 2.477 1.00 0.00 C ATOM 630 CD GLU A 42 1.659 0.866 3.958 1.00 0.00 C ATOM 631 OE1 GLU A 42 0.482 1.049 4.332 1.00 0.00 O ATOM 632 OE2 GLU A 42 2.629 0.827 4.744 1.00 0.00 O ATOM 0 H GLU A 42 0.137 -2.318 0.337 1.00 0.00 H new ATOM 0 HA GLU A 42 1.136 0.411 -0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.079 0.218 1.889 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.873 -1.178 2.354 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.925 0.267 2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.911 1.652 1.984 1.00 0.00 H new ATOM 639 N CYS A 43 3.531 -0.211 -0.310 1.00 0.00 N ATOM 640 CA CYS A 43 4.924 -0.598 -0.500 1.00 0.00 C ATOM 641 C CYS A 43 5.786 -0.116 0.663 1.00 0.00 C ATOM 642 O CYS A 43 5.381 0.760 1.428 1.00 0.00 O ATOM 643 CB CYS A 43 5.458 -0.030 -1.816 1.00 0.00 C ATOM 644 SG CYS A 43 7.142 -0.583 -2.236 1.00 0.00 S ATOM 0 H CYS A 43 3.316 0.745 -0.595 1.00 0.00 H new ATOM 0 HA CYS A 43 4.971 -1.686 -0.537 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.782 -0.314 -2.623 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.448 1.059 -1.760 1.00 0.00 H new ATOM 649 N ARG A 44 6.977 -0.692 0.788 1.00 0.00 N ATOM 650 CA ARG A 44 7.896 -0.322 1.857 1.00 0.00 C ATOM 651 C ARG A 44 8.089 1.191 1.909 1.00 0.00 C ATOM 652 O ARG A 44 8.219 1.775 2.985 1.00 0.00 O ATOM 653 CB ARG A 44 9.247 -1.012 1.660 1.00 0.00 C ATOM 654 CG ARG A 44 9.145 -2.523 1.528 1.00 0.00 C ATOM 655 CD ARG A 44 9.050 -3.196 2.889 1.00 0.00 C ATOM 656 NE ARG A 44 8.879 -4.641 2.774 1.00 0.00 N ATOM 657 CZ ARG A 44 9.892 -5.499 2.718 1.00 0.00 C ATOM 658 NH1 ARG A 44 11.141 -5.058 2.766 1.00 0.00 N ATOM 659 NH2 ARG A 44 9.656 -6.801 2.614 1.00 0.00 N ATOM 0 H ARG A 44 7.328 -1.417 0.162 1.00 0.00 H new ATOM 0 HA ARG A 44 7.463 -0.649 2.802 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.725 -0.609 0.767 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.894 -0.772 2.503 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.269 -2.779 0.932 1.00 0.00 H new ATOM 0 HG3 ARG A 44 10.016 -2.902 0.993 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.952 -2.982 3.463 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.212 -2.775 3.444 1.00 0.00 H new ATOM 0 HE ARG A 44 7.930 -5.012 2.734 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.326 -4.058 2.846 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.917 -5.718 2.723 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.696 -7.144 2.577 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.435 -7.459 2.571 1.00 0.00 H new ATOM 673 N CYS A 45 8.107 1.820 0.738 1.00 0.00 N ATOM 674 CA CYS A 45 8.285 3.264 0.649 1.00 0.00 C ATOM 675 C CYS A 45 7.034 3.997 1.124 1.00 0.00 C ATOM 676 O CYS A 45 7.115 5.096 1.671 1.00 0.00 O ATOM 677 CB CYS A 45 8.612 3.671 -0.790 1.00 0.00 C ATOM 678 SG CYS A 45 7.305 3.266 -1.992 1.00 0.00 S ATOM 0 H CYS A 45 8.000 1.352 -0.162 1.00 0.00 H new ATOM 0 HA CYS A 45 9.116 3.543 1.297 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.798 4.745 -0.819 1.00 0.00 H new ATOM 0 HB3 CYS A 45 9.536 3.179 -1.094 1.00 0.00 H new ATOM 683 N GLY A 46 5.876 3.379 0.910 1.00 0.00 N ATOM 684 CA GLY A 46 4.624 3.987 1.322 1.00 0.00 C ATOM 685 C GLY A 46 3.703 4.268 0.151 1.00 0.00 C ATOM 686 O GLY A 46 2.482 4.191 0.281 1.00 0.00 O ATOM 0 H GLY A 46 5.783 2.469 0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.119 3.328 2.028 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.832 4.919 1.848 1.00 0.00 H new ATOM 690 N ASN A 47 4.290 4.598 -0.995 1.00 0.00 N ATOM 691 CA ASN A 47 3.513 4.894 -2.193 1.00 0.00 C ATOM 692 C ASN A 47 2.556 3.752 -2.518 1.00 0.00 C ATOM 693 O ASN A 47 2.911 2.579 -2.402 1.00 0.00 O ATOM 694 CB ASN A 47 4.445 5.147 -3.380 1.00 0.00 C ATOM 695 CG ASN A 47 5.245 6.426 -3.226 1.00 0.00 C ATOM 696 OD1 ASN A 47 4.684 7.498 -2.997 1.00 0.00 O ATOM 697 ND2 ASN A 47 6.562 6.319 -3.350 1.00 0.00 N ATOM 0 H ASN A 47 5.300 4.667 -1.119 1.00 0.00 H new ATOM 0 HA ASN A 47 2.926 5.792 -2.002 1.00 0.00 H new ATOM 0 HB2 ASN A 47 5.129 4.305 -3.487 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.856 5.198 -4.296 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.152 7.146 -3.255 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.984 5.410 -3.540 1.00 0.00 H new ATOM 704 N ASN A 48 1.341 4.103 -2.926 1.00 0.00 N ATOM 705 CA ASN A 48 0.332 3.107 -3.268 1.00 0.00 C ATOM 706 C ASN A 48 0.387 2.764 -4.754 1.00 0.00 C ATOM 707 O ASN A 48 0.271 3.643 -5.609 1.00 0.00 O ATOM 708 CB ASN A 48 -1.063 3.617 -2.902 1.00 0.00 C ATOM 709 CG ASN A 48 -1.568 4.666 -3.873 1.00 0.00 C ATOM 710 OD1 ASN A 48 -1.032 5.772 -3.943 1.00 0.00 O ATOM 711 ND2 ASN A 48 -2.605 4.323 -4.628 1.00 0.00 N ATOM 0 H ASN A 48 1.031 5.069 -3.028 1.00 0.00 H new ATOM 0 HA ASN A 48 0.542 2.203 -2.697 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.760 2.779 -2.882 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.041 4.037 -1.896 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.989 4.988 -5.300 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.018 3.395 -4.536 1.00 0.00 H new ATOM 718 N PHE A 49 0.565 1.482 -5.054 1.00 0.00 N ATOM 719 CA PHE A 49 0.635 1.023 -6.436 1.00 0.00 C ATOM 720 C PHE A 49 -0.468 0.011 -6.731 1.00 0.00 C ATOM 721 O PHE A 49 -1.148 -0.465 -5.821 1.00 0.00 O ATOM 722 CB PHE A 49 2.004 0.400 -6.720 1.00 0.00 C ATOM 723 CG PHE A 49 3.140 1.377 -6.620 1.00 0.00 C ATOM 724 CD1 PHE A 49 3.460 2.199 -7.688 1.00 0.00 C ATOM 725 CD2 PHE A 49 3.888 1.473 -5.457 1.00 0.00 C ATOM 726 CE1 PHE A 49 4.505 3.099 -7.599 1.00 0.00 C ATOM 727 CE2 PHE A 49 4.934 2.372 -5.363 1.00 0.00 C ATOM 728 CZ PHE A 49 5.243 3.185 -6.435 1.00 0.00 C ATOM 0 H PHE A 49 0.663 0.742 -4.359 1.00 0.00 H new ATOM 0 HA PHE A 49 0.494 1.886 -7.086 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.175 -0.417 -6.019 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.996 -0.035 -7.720 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.886 2.136 -8.601 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.651 0.839 -4.615 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.744 3.734 -8.439 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.509 2.438 -4.451 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.061 3.887 -6.363 1.00 0.00 H new ATOM 738 N CYS A 50 -0.640 -0.313 -8.008 1.00 0.00 N ATOM 739 CA CYS A 50 -1.661 -1.267 -8.424 1.00 0.00 C ATOM 740 C CYS A 50 -1.205 -2.700 -8.163 1.00 0.00 C ATOM 741 O CYS A 50 -0.030 -2.949 -7.896 1.00 0.00 O ATOM 742 CB CYS A 50 -1.983 -1.085 -9.909 1.00 0.00 C ATOM 743 SG CYS A 50 -0.544 -1.273 -11.010 1.00 0.00 S ATOM 0 H CYS A 50 -0.085 0.071 -8.773 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.560 -1.078 -7.838 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.744 -1.810 -10.196 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.414 -0.095 -10.058 1.00 0.00 H new ATOM 748 N ALA A 51 -2.144 -3.637 -8.243 1.00 0.00 N ATOM 749 CA ALA A 51 -1.839 -5.044 -8.017 1.00 0.00 C ATOM 750 C ALA A 51 -0.686 -5.505 -8.902 1.00 0.00 C ATOM 751 O ALA A 51 0.039 -6.438 -8.558 1.00 0.00 O ATOM 752 CB ALA A 51 -3.073 -5.898 -8.268 1.00 0.00 C ATOM 0 H ALA A 51 -3.122 -3.447 -8.463 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.534 -5.162 -6.977 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.831 -6.947 -8.096 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.870 -5.593 -7.590 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.403 -5.767 -9.298 1.00 0.00 H new ATOM 758 N SER A 52 -0.522 -4.844 -10.044 1.00 0.00 N ATOM 759 CA SER A 52 0.541 -5.189 -10.981 1.00 0.00 C ATOM 760 C SER A 52 1.862 -4.550 -10.563 1.00 0.00 C ATOM 761 O SER A 52 2.933 -5.123 -10.764 1.00 0.00 O ATOM 762 CB SER A 52 0.169 -4.741 -12.395 1.00 0.00 C ATOM 763 OG SER A 52 0.923 -5.443 -13.368 1.00 0.00 O ATOM 0 H SER A 52 -1.112 -4.067 -10.342 1.00 0.00 H new ATOM 0 HA SER A 52 0.662 -6.272 -10.972 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.895 -4.908 -12.565 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.344 -3.670 -12.498 1.00 0.00 H new ATOM 0 HG SER A 52 0.665 -5.139 -14.263 1.00 0.00 H new ATOM 769 N HIS A 53 1.777 -3.358 -9.981 1.00 0.00 N ATOM 770 CA HIS A 53 2.965 -2.638 -9.534 1.00 0.00 C ATOM 771 C HIS A 53 3.005 -2.549 -8.012 1.00 0.00 C ATOM 772 O HIS A 53 3.654 -1.667 -7.449 1.00 0.00 O ATOM 773 CB HIS A 53 2.995 -1.235 -10.140 1.00 0.00 C ATOM 774 CG HIS A 53 2.823 -1.221 -11.628 1.00 0.00 C ATOM 775 ND1 HIS A 53 2.220 -0.182 -12.306 1.00 0.00 N ATOM 776 CD2 HIS A 53 3.180 -2.125 -12.569 1.00 0.00 C ATOM 777 CE1 HIS A 53 2.212 -0.450 -13.599 1.00 0.00 C ATOM 778 NE2 HIS A 53 2.790 -1.623 -13.786 1.00 0.00 N ATOM 0 H HIS A 53 0.898 -2.870 -9.808 1.00 0.00 H new ATOM 0 HA HIS A 53 3.843 -3.190 -9.871 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.206 -0.635 -9.686 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.943 -0.759 -9.888 1.00 0.00 H new ATOM 0 HD2 HIS A 53 3.679 -3.067 -12.395 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.802 0.183 -14.373 1.00 0.00 H new ATOM 0 HE2 HIS A 53 2.925 -2.081 -14.687 1.00 0.00 H new ATOM 786 N ARG A 54 2.307 -3.468 -7.351 1.00 0.00 N ATOM 787 CA ARG A 54 2.262 -3.491 -5.894 1.00 0.00 C ATOM 788 C ARG A 54 3.615 -3.892 -5.315 1.00 0.00 C ATOM 789 O ARG A 54 3.973 -3.485 -4.209 1.00 0.00 O ATOM 790 CB ARG A 54 1.181 -4.460 -5.412 1.00 0.00 C ATOM 791 CG ARG A 54 1.557 -5.923 -5.578 1.00 0.00 C ATOM 792 CD ARG A 54 0.374 -6.837 -5.297 1.00 0.00 C ATOM 793 NE ARG A 54 0.800 -8.172 -4.883 1.00 0.00 N ATOM 794 CZ ARG A 54 1.163 -8.475 -3.642 1.00 0.00 C ATOM 795 NH1 ARG A 54 1.152 -7.544 -2.699 1.00 0.00 N ATOM 796 NH2 ARG A 54 1.538 -9.712 -3.343 1.00 0.00 N ATOM 0 H ARG A 54 1.765 -4.206 -7.802 1.00 0.00 H new ATOM 0 HA ARG A 54 2.021 -2.486 -5.546 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.972 -4.264 -4.360 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.260 -4.266 -5.961 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.918 -6.094 -6.592 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.376 -6.168 -4.902 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.247 -6.397 -4.517 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.244 -6.915 -6.191 1.00 0.00 H new ATOM 0 HE ARG A 54 0.820 -8.911 -5.585 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.864 -6.592 -2.926 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.431 -7.779 -1.747 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.548 -10.431 -4.066 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.817 -9.944 -2.390 1.00 0.00 H new ATOM 810 N TYR A 55 4.361 -4.693 -6.068 1.00 0.00 N ATOM 811 CA TYR A 55 5.673 -5.152 -5.628 1.00 0.00 C ATOM 812 C TYR A 55 6.716 -4.048 -5.779 1.00 0.00 C ATOM 813 O TYR A 55 6.671 -3.263 -6.726 1.00 0.00 O ATOM 814 CB TYR A 55 6.100 -6.385 -6.426 1.00 0.00 C ATOM 815 CG TYR A 55 4.998 -7.405 -6.598 1.00 0.00 C ATOM 816 CD1 TYR A 55 4.737 -8.348 -5.611 1.00 0.00 C ATOM 817 CD2 TYR A 55 4.218 -7.428 -7.748 1.00 0.00 C ATOM 818 CE1 TYR A 55 3.732 -9.283 -5.764 1.00 0.00 C ATOM 819 CE2 TYR A 55 3.210 -8.359 -7.908 1.00 0.00 C ATOM 820 CZ TYR A 55 2.971 -9.284 -6.914 1.00 0.00 C ATOM 821 OH TYR A 55 1.968 -10.214 -7.071 1.00 0.00 O ATOM 0 H TYR A 55 4.079 -5.038 -6.986 1.00 0.00 H new ATOM 0 HA TYR A 55 5.601 -5.417 -4.573 1.00 0.00 H new ATOM 0 HB2 TYR A 55 6.448 -6.069 -7.409 1.00 0.00 H new ATOM 0 HB3 TYR A 55 6.946 -6.857 -5.925 1.00 0.00 H new ATOM 0 HD1 TYR A 55 5.330 -8.350 -4.709 1.00 0.00 H new ATOM 0 HD2 TYR A 55 4.403 -6.706 -8.530 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.543 -10.009 -4.987 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.612 -8.362 -8.807 1.00 0.00 H new ATOM 0 HH TYR A 55 1.527 -10.077 -7.936 1.00 0.00 H new ATOM 831 N ALA A 56 7.653 -3.995 -4.839 1.00 0.00 N ATOM 832 CA ALA A 56 8.709 -2.991 -4.869 1.00 0.00 C ATOM 833 C ALA A 56 9.419 -2.979 -6.218 1.00 0.00 C ATOM 834 O ALA A 56 9.438 -1.962 -6.911 1.00 0.00 O ATOM 835 CB ALA A 56 9.707 -3.241 -3.748 1.00 0.00 C ATOM 0 H ALA A 56 7.703 -4.636 -4.047 1.00 0.00 H new ATOM 0 HA ALA A 56 8.250 -2.013 -4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.490 -2.484 -3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.195 -3.190 -2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.152 -4.229 -3.870 1.00 0.00 H new ATOM 841 N GLU A 57 10.001 -4.117 -6.585 1.00 0.00 N ATOM 842 CA GLU A 57 10.714 -4.236 -7.852 1.00 0.00 C ATOM 843 C GLU A 57 9.847 -3.752 -9.011 1.00 0.00 C ATOM 844 O GLU A 57 10.341 -3.136 -9.955 1.00 0.00 O ATOM 845 CB GLU A 57 11.140 -5.686 -8.089 1.00 0.00 C ATOM 846 CG GLU A 57 9.973 -6.656 -8.175 1.00 0.00 C ATOM 847 CD GLU A 57 10.422 -8.091 -8.373 1.00 0.00 C ATOM 848 OE1 GLU A 57 11.409 -8.500 -7.727 1.00 0.00 O ATOM 849 OE2 GLU A 57 9.785 -8.806 -9.175 1.00 0.00 O ATOM 0 H GLU A 57 9.993 -4.969 -6.024 1.00 0.00 H new ATOM 0 HA GLU A 57 11.604 -3.608 -7.800 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.716 -5.740 -9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.802 -5.998 -7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.380 -6.587 -7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.323 -6.365 -9.000 1.00 0.00 H new ATOM 856 N ALA A 58 8.551 -4.038 -8.932 1.00 0.00 N ATOM 857 CA ALA A 58 7.614 -3.632 -9.972 1.00 0.00 C ATOM 858 C ALA A 58 7.820 -2.170 -10.356 1.00 0.00 C ATOM 859 O ALA A 58 7.784 -1.817 -11.535 1.00 0.00 O ATOM 860 CB ALA A 58 6.182 -3.862 -9.513 1.00 0.00 C ATOM 0 H ALA A 58 8.127 -4.549 -8.158 1.00 0.00 H new ATOM 0 HA ALA A 58 7.803 -4.243 -10.855 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.494 -3.554 -10.300 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.035 -4.920 -9.296 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.990 -3.277 -8.614 1.00 0.00 H new ATOM 866 N HIS A 59 8.035 -1.324 -9.354 1.00 0.00 N ATOM 867 CA HIS A 59 8.246 0.100 -9.587 1.00 0.00 C ATOM 868 C HIS A 59 9.624 0.532 -9.096 1.00 0.00 C ATOM 869 O HIS A 59 9.793 1.639 -8.585 1.00 0.00 O ATOM 870 CB HIS A 59 7.162 0.919 -8.887 1.00 0.00 C ATOM 871 CG HIS A 59 7.181 0.787 -7.395 1.00 0.00 C ATOM 872 ND1 HIS A 59 6.374 -0.095 -6.708 1.00 0.00 N ATOM 873 CD2 HIS A 59 7.916 1.431 -6.459 1.00 0.00 C ATOM 874 CE1 HIS A 59 6.612 0.013 -5.412 1.00 0.00 C ATOM 875 NE2 HIS A 59 7.543 0.932 -5.235 1.00 0.00 N ATOM 0 H HIS A 59 8.068 -1.600 -8.373 1.00 0.00 H new ATOM 0 HA HIS A 59 8.189 0.280 -10.661 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.284 1.969 -9.152 1.00 0.00 H new ATOM 0 HB3 HIS A 59 6.186 0.607 -9.259 1.00 0.00 H new ATOM 0 HD1 HIS A 59 5.699 -0.731 -7.133 1.00 0.00 H new ATOM 0 HD2 HIS A 59 8.658 2.195 -6.641 1.00 0.00 H new ATOM 0 HE1 HIS A 59 6.127 -0.554 -4.631 1.00 0.00 H new ATOM 883 N GLY A 60 10.607 -0.349 -9.253 1.00 0.00 N ATOM 884 CA GLY A 60 11.957 -0.040 -8.820 1.00 0.00 C ATOM 885 C GLY A 60 11.983 0.786 -7.549 1.00 0.00 C ATOM 886 O GLY A 60 12.570 1.869 -7.515 1.00 0.00 O ATOM 0 H GLY A 60 10.492 -1.272 -9.673 1.00 0.00 H new ATOM 0 HA2 GLY A 60 12.505 -0.968 -8.658 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.475 0.501 -9.612 1.00 0.00 H new ATOM 890 N CYS A 61 11.345 0.277 -6.501 1.00 0.00 N ATOM 891 CA CYS A 61 11.295 0.975 -5.222 1.00 0.00 C ATOM 892 C CYS A 61 12.639 1.624 -4.904 1.00 0.00 C ATOM 893 O CYS A 61 13.692 1.114 -5.285 1.00 0.00 O ATOM 894 CB CYS A 61 10.906 0.007 -4.103 1.00 0.00 C ATOM 895 SG CYS A 61 10.417 0.824 -2.550 1.00 0.00 S ATOM 0 H CYS A 61 10.855 -0.617 -6.512 1.00 0.00 H new ATOM 0 HA CYS A 61 10.541 1.758 -5.293 1.00 0.00 H new ATOM 0 HB2 CYS A 61 10.082 -0.618 -4.448 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.747 -0.657 -3.903 1.00 0.00 H new ATOM 900 N ASN A 62 12.594 2.752 -4.201 1.00 0.00 N ATOM 901 CA ASN A 62 13.808 3.471 -3.831 1.00 0.00 C ATOM 902 C ASN A 62 14.126 3.276 -2.352 1.00 0.00 C ATOM 903 O ASN A 62 15.285 3.108 -1.972 1.00 0.00 O ATOM 904 CB ASN A 62 13.656 4.962 -4.140 1.00 0.00 C ATOM 905 CG ASN A 62 14.025 5.296 -5.573 1.00 0.00 C ATOM 906 OD1 ASN A 62 13.259 5.034 -6.500 1.00 0.00 O ATOM 907 ND2 ASN A 62 15.204 5.877 -5.760 1.00 0.00 N ATOM 0 H ASN A 62 11.730 3.187 -3.877 1.00 0.00 H new ATOM 0 HA ASN A 62 14.633 3.067 -4.418 1.00 0.00 H new ATOM 0 HB2 ASN A 62 12.626 5.266 -3.953 1.00 0.00 H new ATOM 0 HB3 ASN A 62 14.287 5.537 -3.462 1.00 0.00 H new ATOM 0 HD21 ASN A 62 15.507 6.125 -6.702 1.00 0.00 H new ATOM 0 HD22 ASN A 62 15.807 6.076 -4.962 1.00 0.00 H new ATOM 914 N TYR A 63 13.089 3.300 -1.522 1.00 0.00 N ATOM 915 CA TYR A 63 13.257 3.128 -0.084 1.00 0.00 C ATOM 916 C TYR A 63 14.325 2.081 0.218 1.00 0.00 C ATOM 917 O TYR A 63 14.426 1.065 -0.470 1.00 0.00 O ATOM 918 CB TYR A 63 11.931 2.721 0.561 1.00 0.00 C ATOM 919 CG TYR A 63 12.062 2.318 2.012 1.00 0.00 C ATOM 920 CD1 TYR A 63 12.510 3.222 2.968 1.00 0.00 C ATOM 921 CD2 TYR A 63 11.740 1.032 2.428 1.00 0.00 C ATOM 922 CE1 TYR A 63 12.632 2.858 4.295 1.00 0.00 C ATOM 923 CE2 TYR A 63 11.857 0.659 3.753 1.00 0.00 C ATOM 924 CZ TYR A 63 12.304 1.576 4.683 1.00 0.00 C ATOM 925 OH TYR A 63 12.424 1.208 6.003 1.00 0.00 O ATOM 0 H TYR A 63 12.123 3.437 -1.820 1.00 0.00 H new ATOM 0 HA TYR A 63 13.579 4.081 0.335 1.00 0.00 H new ATOM 0 HB2 TYR A 63 11.230 3.552 0.485 1.00 0.00 H new ATOM 0 HB3 TYR A 63 11.503 1.891 -0.001 1.00 0.00 H new ATOM 0 HD1 TYR A 63 12.767 4.227 2.668 1.00 0.00 H new ATOM 0 HD2 TYR A 63 11.392 0.311 1.703 1.00 0.00 H new ATOM 0 HE1 TYR A 63 12.982 3.573 5.024 1.00 0.00 H new ATOM 0 HE2 TYR A 63 11.600 -0.344 4.059 1.00 0.00 H new ATOM 0 HH TYR A 63 12.152 0.272 6.108 1.00 0.00 H new ATOM 935 N ASP A 64 15.118 2.336 1.253 1.00 0.00 N ATOM 936 CA ASP A 64 16.178 1.416 1.649 1.00 0.00 C ATOM 937 C ASP A 64 15.655 0.378 2.638 1.00 0.00 C ATOM 938 O ASP A 64 15.723 0.573 3.852 1.00 0.00 O ATOM 939 CB ASP A 64 17.346 2.185 2.268 1.00 0.00 C ATOM 940 CG ASP A 64 18.200 1.315 3.169 1.00 0.00 C ATOM 941 OD1 ASP A 64 18.476 0.158 2.787 1.00 0.00 O ATOM 942 OD2 ASP A 64 18.592 1.790 4.256 1.00 0.00 O ATOM 0 H ASP A 64 15.047 3.172 1.833 1.00 0.00 H new ATOM 0 HA ASP A 64 16.527 0.898 0.756 1.00 0.00 H new ATOM 0 HB2 ASP A 64 17.967 2.599 1.473 1.00 0.00 H new ATOM 0 HB3 ASP A 64 16.959 3.027 2.842 1.00 0.00 H new ATOM 947 N TYR A 65 15.132 -0.723 2.111 1.00 0.00 N ATOM 948 CA TYR A 65 14.594 -1.790 2.947 1.00 0.00 C ATOM 949 C TYR A 65 15.591 -2.937 3.074 1.00 0.00 C ATOM 950 O TYR A 65 15.205 -4.102 3.176 1.00 0.00 O ATOM 951 CB TYR A 65 13.276 -2.306 2.366 1.00 0.00 C ATOM 952 CG TYR A 65 13.317 -2.524 0.871 1.00 0.00 C ATOM 953 CD1 TYR A 65 14.318 -3.291 0.288 1.00 0.00 C ATOM 954 CD2 TYR A 65 12.355 -1.962 0.040 1.00 0.00 C ATOM 955 CE1 TYR A 65 14.360 -3.492 -1.078 1.00 0.00 C ATOM 956 CE2 TYR A 65 12.388 -2.159 -1.327 1.00 0.00 C ATOM 957 CZ TYR A 65 13.393 -2.924 -1.881 1.00 0.00 C ATOM 958 OH TYR A 65 13.431 -3.123 -3.242 1.00 0.00 O ATOM 0 H TYR A 65 15.069 -0.900 1.109 1.00 0.00 H new ATOM 0 HA TYR A 65 14.410 -1.381 3.941 1.00 0.00 H new ATOM 0 HB2 TYR A 65 13.016 -3.245 2.855 1.00 0.00 H new ATOM 0 HB3 TYR A 65 12.483 -1.595 2.599 1.00 0.00 H new ATOM 0 HD1 TYR A 65 15.076 -3.738 0.914 1.00 0.00 H new ATOM 0 HD2 TYR A 65 11.568 -1.361 0.471 1.00 0.00 H new ATOM 0 HE1 TYR A 65 15.146 -4.091 -1.515 1.00 0.00 H new ATOM 0 HE2 TYR A 65 11.631 -1.717 -1.958 1.00 0.00 H new ATOM 0 HH TYR A 65 12.678 -2.656 -3.662 1.00 0.00 H new ATOM 968 N LYS A 66 16.876 -2.599 3.069 1.00 0.00 N ATOM 969 CA LYS A 66 17.931 -3.599 3.185 1.00 0.00 C ATOM 970 C LYS A 66 17.840 -4.332 4.520 1.00 0.00 C ATOM 971 O LYS A 66 17.438 -3.755 5.530 1.00 0.00 O ATOM 972 CB LYS A 66 19.304 -2.939 3.046 1.00 0.00 C ATOM 973 CG LYS A 66 20.409 -3.909 2.663 1.00 0.00 C ATOM 974 CD LYS A 66 20.559 -4.016 1.155 1.00 0.00 C ATOM 975 CE LYS A 66 19.680 -5.117 0.584 1.00 0.00 C ATOM 976 NZ LYS A 66 20.071 -5.474 -0.808 1.00 0.00 N ATOM 0 H LYS A 66 17.212 -1.640 2.986 1.00 0.00 H new ATOM 0 HA LYS A 66 17.801 -4.325 2.382 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.245 -2.153 2.294 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.564 -2.459 3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 66 21.351 -3.580 3.101 1.00 0.00 H new ATOM 0 HG3 LYS A 66 20.191 -4.893 3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 66 20.297 -3.064 0.694 1.00 0.00 H new ATOM 0 HD3 LYS A 66 21.601 -4.215 0.905 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.748 -6.001 1.218 1.00 0.00 H new ATOM 0 HE3 LYS A 66 18.639 -4.794 0.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 19.448 -6.228 -1.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 19.982 -4.637 -1.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 21.056 -5.807 -0.817 1.00 0.00 H new ATOM 990 N SER A 67 18.219 -5.606 4.517 1.00 0.00 N ATOM 991 CA SER A 67 18.178 -6.418 5.727 1.00 0.00 C ATOM 992 C SER A 67 16.801 -6.353 6.380 1.00 0.00 C ATOM 993 O SER A 67 16.684 -6.242 7.600 1.00 0.00 O ATOM 994 CB SER A 67 19.247 -5.950 6.717 1.00 0.00 C ATOM 995 OG SER A 67 19.343 -6.835 7.820 1.00 0.00 O ATOM 0 H SER A 67 18.558 -6.098 3.690 1.00 0.00 H new ATOM 0 HA SER A 67 18.379 -7.452 5.447 1.00 0.00 H new ATOM 0 HB2 SER A 67 20.211 -5.886 6.213 1.00 0.00 H new ATOM 0 HB3 SER A 67 19.006 -4.948 7.071 1.00 0.00 H new ATOM 0 HG SER A 67 18.464 -6.926 8.244 1.00 0.00 H new ATOM 1001 N ALA A 68 15.759 -6.422 5.557 1.00 0.00 N ATOM 1002 CA ALA A 68 14.390 -6.373 6.052 1.00 0.00 C ATOM 1003 C ALA A 68 13.509 -7.391 5.336 1.00 0.00 C ATOM 1004 O ALA A 68 13.146 -7.204 4.175 1.00 0.00 O ATOM 1005 CB ALA A 68 13.819 -4.971 5.889 1.00 0.00 C ATOM 0 H ALA A 68 15.838 -6.512 4.544 1.00 0.00 H new ATOM 0 HA ALA A 68 14.405 -6.627 7.112 1.00 0.00 H new ATOM 0 HB1 ALA A 68 12.795 -4.949 6.263 1.00 0.00 H new ATOM 0 HB2 ALA A 68 14.426 -4.263 6.453 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.826 -4.696 4.834 1.00 0.00 H new ATOM 1011 N GLY A 69 13.170 -8.470 6.035 1.00 0.00 N ATOM 1012 CA GLY A 69 12.336 -9.502 5.448 1.00 0.00 C ATOM 1013 C GLY A 69 13.012 -10.203 4.287 1.00 0.00 C ATOM 1014 O GLY A 69 12.723 -9.914 3.125 1.00 0.00 O ATOM 0 H GLY A 69 13.458 -8.648 6.997 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.080 -10.236 6.212 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.401 -9.058 5.106 1.00 0.00 H new ATOM 1018 N ARG A 70 13.916 -11.126 4.599 1.00 0.00 N ATOM 1019 CA ARG A 70 14.637 -11.868 3.572 1.00 0.00 C ATOM 1020 C ARG A 70 15.471 -12.985 4.193 1.00 0.00 C ATOM 1021 O ARG A 70 15.911 -12.881 5.338 1.00 0.00 O ATOM 1022 CB ARG A 70 15.539 -10.927 2.772 1.00 0.00 C ATOM 1023 CG ARG A 70 16.607 -10.246 3.613 1.00 0.00 C ATOM 1024 CD ARG A 70 17.887 -11.067 3.659 1.00 0.00 C ATOM 1025 NE ARG A 70 18.942 -10.393 4.410 1.00 0.00 N ATOM 1026 CZ ARG A 70 18.998 -10.367 5.737 1.00 0.00 C ATOM 1027 NH1 ARG A 70 18.064 -10.974 6.456 1.00 0.00 N ATOM 1028 NH2 ARG A 70 19.991 -9.732 6.348 1.00 0.00 N ATOM 0 H ARG A 70 14.166 -11.378 5.555 1.00 0.00 H new ATOM 0 HA ARG A 70 13.905 -12.316 2.900 1.00 0.00 H new ATOM 0 HB2 ARG A 70 16.022 -11.491 1.974 1.00 0.00 H new ATOM 0 HB3 ARG A 70 14.923 -10.165 2.295 1.00 0.00 H new ATOM 0 HG2 ARG A 70 16.821 -9.259 3.202 1.00 0.00 H new ATOM 0 HG3 ARG A 70 16.233 -10.096 4.626 1.00 0.00 H new ATOM 0 HD2 ARG A 70 17.680 -12.036 4.114 1.00 0.00 H new ATOM 0 HD3 ARG A 70 18.231 -11.259 2.643 1.00 0.00 H new ATOM 0 HE ARG A 70 19.676 -9.916 3.887 1.00 0.00 H new ATOM 0 HH11 ARG A 70 17.299 -11.463 5.990 1.00 0.00 H new ATOM 0 HH12 ARG A 70 18.110 -10.952 7.475 1.00 0.00 H new ATOM 0 HH21 ARG A 70 20.712 -9.264 5.798 1.00 0.00 H new ATOM 0 HH22 ARG A 70 20.033 -9.712 7.367 1.00 0.00 H new ATOM 1042 N ARG A 71 15.684 -14.051 3.429 1.00 0.00 N ATOM 1043 CA ARG A 71 16.463 -15.188 3.905 1.00 0.00 C ATOM 1044 C ARG A 71 17.763 -15.323 3.117 1.00 0.00 C ATOM 1045 O ARG A 71 18.828 -15.549 3.692 1.00 0.00 O ATOM 1046 CB ARG A 71 15.648 -16.477 3.788 1.00 0.00 C ATOM 1047 CG ARG A 71 15.237 -16.812 2.364 1.00 0.00 C ATOM 1048 CD ARG A 71 14.175 -17.899 2.331 1.00 0.00 C ATOM 1049 NE ARG A 71 13.483 -17.950 1.046 1.00 0.00 N ATOM 1050 CZ ARG A 71 12.305 -18.538 0.868 1.00 0.00 C ATOM 1051 NH1 ARG A 71 11.691 -19.122 1.887 1.00 0.00 N ATOM 1052 NH2 ARG A 71 11.739 -18.543 -0.332 1.00 0.00 N ATOM 0 H ARG A 71 15.328 -14.151 2.478 1.00 0.00 H new ATOM 0 HA ARG A 71 16.708 -15.015 4.953 1.00 0.00 H new ATOM 0 HB2 ARG A 71 16.232 -17.304 4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 71 14.753 -16.388 4.404 1.00 0.00 H new ATOM 0 HG2 ARG A 71 14.857 -15.916 1.874 1.00 0.00 H new ATOM 0 HG3 ARG A 71 16.110 -17.138 1.799 1.00 0.00 H new ATOM 0 HD2 ARG A 71 14.639 -18.865 2.531 1.00 0.00 H new ATOM 0 HD3 ARG A 71 13.451 -17.722 3.126 1.00 0.00 H new ATOM 0 HE ARG A 71 13.929 -17.510 0.241 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.123 -19.121 2.811 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.787 -19.573 1.747 1.00 0.00 H new ATOM 0 HH21 ARG A 71 12.208 -18.095 -1.119 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.835 -18.995 -0.467 1.00 0.00 H new ATOM 1066 N TYR A 72 17.668 -15.184 1.800 1.00 0.00 N ATOM 1067 CA TYR A 72 18.835 -15.294 0.933 1.00 0.00 C ATOM 1068 C TYR A 72 19.124 -13.967 0.238 1.00 0.00 C ATOM 1069 O TYR A 72 18.228 -13.144 0.048 1.00 0.00 O ATOM 1070 CB TYR A 72 18.622 -16.393 -0.109 1.00 0.00 C ATOM 1071 CG TYR A 72 17.670 -16.000 -1.217 1.00 0.00 C ATOM 1072 CD1 TYR A 72 16.304 -16.221 -1.096 1.00 0.00 C ATOM 1073 CD2 TYR A 72 18.138 -15.407 -2.383 1.00 0.00 C ATOM 1074 CE1 TYR A 72 15.431 -15.864 -2.106 1.00 0.00 C ATOM 1075 CE2 TYR A 72 17.272 -15.046 -3.398 1.00 0.00 C ATOM 1076 CZ TYR A 72 15.920 -15.277 -3.255 1.00 0.00 C ATOM 1077 OH TYR A 72 15.054 -14.919 -4.262 1.00 0.00 O ATOM 0 H TYR A 72 16.794 -14.995 1.309 1.00 0.00 H new ATOM 0 HA TYR A 72 19.693 -15.553 1.553 1.00 0.00 H new ATOM 0 HB2 TYR A 72 19.584 -16.660 -0.546 1.00 0.00 H new ATOM 0 HB3 TYR A 72 18.240 -17.284 0.388 1.00 0.00 H new ATOM 0 HD1 TYR A 72 15.918 -16.679 -0.198 1.00 0.00 H new ATOM 0 HD2 TYR A 72 19.196 -15.225 -2.498 1.00 0.00 H new ATOM 0 HE1 TYR A 72 14.372 -16.043 -1.997 1.00 0.00 H new ATOM 0 HE2 TYR A 72 17.652 -14.586 -4.298 1.00 0.00 H new ATOM 0 HH TYR A 72 15.559 -14.518 -5.000 1.00 0.00 H new ATOM 1087 N LEU A 73 20.381 -13.766 -0.141 1.00 0.00 N ATOM 1088 CA LEU A 73 20.791 -12.540 -0.817 1.00 0.00 C ATOM 1089 C LEU A 73 20.493 -12.616 -2.311 1.00 0.00 C ATOM 1090 O LEU A 73 20.960 -13.521 -3.001 1.00 0.00 O ATOM 1091 CB LEU A 73 22.283 -12.286 -0.595 1.00 0.00 C ATOM 1092 CG LEU A 73 22.718 -12.067 0.855 1.00 0.00 C ATOM 1093 CD1 LEU A 73 22.765 -13.390 1.603 1.00 0.00 C ATOM 1094 CD2 LEU A 73 24.072 -11.375 0.906 1.00 0.00 C ATOM 0 H LEU A 73 21.135 -14.437 0.008 1.00 0.00 H new ATOM 0 HA LEU A 73 20.221 -11.713 -0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 73 22.839 -13.133 -0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 73 22.573 -11.411 -1.176 1.00 0.00 H new ATOM 0 HG LEU A 73 21.985 -11.424 1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 73 23.076 -13.215 2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.776 -13.847 1.596 1.00 0.00 H new ATOM 0 HD13 LEU A 73 23.477 -14.058 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 73 24.366 -11.227 1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 73 24.816 -11.993 0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 73 24.006 -10.408 0.407 1.00 0.00 H new ATOM 1106 N GLU A 74 19.714 -11.658 -2.803 1.00 0.00 N ATOM 1107 CA GLU A 74 19.356 -11.617 -4.216 1.00 0.00 C ATOM 1108 C GLU A 74 20.599 -11.470 -5.089 1.00 0.00 C ATOM 1109 O GLU A 74 21.530 -10.744 -4.743 1.00 0.00 O ATOM 1110 CB GLU A 74 18.390 -10.461 -4.487 1.00 0.00 C ATOM 1111 CG GLU A 74 18.981 -9.092 -4.191 1.00 0.00 C ATOM 1112 CD GLU A 74 17.996 -7.966 -4.435 1.00 0.00 C ATOM 1113 OE1 GLU A 74 16.782 -8.185 -4.236 1.00 0.00 O ATOM 1114 OE2 GLU A 74 18.438 -6.865 -4.824 1.00 0.00 O ATOM 0 H GLU A 74 19.319 -10.901 -2.245 1.00 0.00 H new ATOM 0 HA GLU A 74 18.866 -12.558 -4.467 1.00 0.00 H new ATOM 0 HB2 GLU A 74 18.079 -10.495 -5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 74 17.493 -10.599 -3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 74 19.313 -9.061 -3.153 1.00 0.00 H new ATOM 0 HG3 GLU A 74 19.863 -8.939 -4.813 1.00 0.00 H new ATOM 1121 N GLU A 75 20.605 -12.166 -6.221 1.00 0.00 N ATOM 1122 CA GLU A 75 21.734 -12.115 -7.143 1.00 0.00 C ATOM 1123 C GLU A 75 21.568 -10.975 -8.143 1.00 0.00 C ATOM 1124 O GLU A 75 20.513 -10.823 -8.757 1.00 0.00 O ATOM 1125 CB GLU A 75 21.875 -13.445 -7.886 1.00 0.00 C ATOM 1126 CG GLU A 75 23.288 -13.726 -8.367 1.00 0.00 C ATOM 1127 CD GLU A 75 23.325 -14.689 -9.538 1.00 0.00 C ATOM 1128 OE1 GLU A 75 22.338 -14.732 -10.301 1.00 0.00 O ATOM 1129 OE2 GLU A 75 24.341 -15.399 -9.692 1.00 0.00 O ATOM 0 H GLU A 75 19.841 -12.772 -6.522 1.00 0.00 H new ATOM 0 HA GLU A 75 22.638 -11.936 -6.561 1.00 0.00 H new ATOM 0 HB2 GLU A 75 21.556 -14.254 -7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 75 21.201 -13.446 -8.743 1.00 0.00 H new ATOM 0 HG2 GLU A 75 23.762 -12.788 -8.657 1.00 0.00 H new ATOM 0 HG3 GLU A 75 23.873 -14.138 -7.544 1.00 0.00 H new ATOM 1136 N ALA A 76 22.619 -10.176 -8.301 1.00 0.00 N ATOM 1137 CA ALA A 76 22.591 -9.051 -9.227 1.00 0.00 C ATOM 1138 C ALA A 76 23.979 -8.441 -9.392 1.00 0.00 C ATOM 1139 O ALA A 76 24.762 -8.392 -8.444 1.00 0.00 O ATOM 1140 CB ALA A 76 21.603 -7.998 -8.749 1.00 0.00 C ATOM 0 H ALA A 76 23.500 -10.288 -7.799 1.00 0.00 H new ATOM 0 HA ALA A 76 22.268 -9.421 -10.200 1.00 0.00 H new ATOM 0 HB1 ALA A 76 21.593 -7.164 -9.450 1.00 0.00 H new ATOM 0 HB2 ALA A 76 20.606 -8.435 -8.690 1.00 0.00 H new ATOM 0 HB3 ALA A 76 21.901 -7.640 -7.764 1.00 0.00 H new ATOM 1146 N ASN A 77 24.277 -7.979 -10.602 1.00 0.00 N ATOM 1147 CA ASN A 77 25.572 -7.374 -10.891 1.00 0.00 C ATOM 1148 C ASN A 77 25.404 -6.087 -11.693 1.00 0.00 C ATOM 1149 O ASN A 77 24.938 -6.093 -12.833 1.00 0.00 O ATOM 1150 CB ASN A 77 26.458 -8.356 -11.660 1.00 0.00 C ATOM 1151 CG ASN A 77 25.813 -8.828 -12.949 1.00 0.00 C ATOM 1152 OD1 ASN A 77 25.043 -9.788 -12.955 1.00 0.00 O ATOM 1153 ND2 ASN A 77 26.127 -8.153 -14.049 1.00 0.00 N ATOM 0 H ASN A 77 23.640 -8.012 -11.398 1.00 0.00 H new ATOM 0 HA ASN A 77 26.051 -7.130 -9.943 1.00 0.00 H new ATOM 0 HB2 ASN A 77 27.412 -7.880 -11.887 1.00 0.00 H new ATOM 0 HB3 ASN A 77 26.674 -9.218 -11.028 1.00 0.00 H new ATOM 0 HD21 ASN A 77 25.725 -8.424 -14.946 1.00 0.00 H new ATOM 0 HD22 ASN A 77 26.770 -7.363 -13.997 1.00 0.00 H new ATOM 1160 N PRO A 78 25.793 -4.956 -11.087 1.00 0.00 N ATOM 1161 CA PRO A 78 25.697 -3.641 -11.726 1.00 0.00 C ATOM 1162 C PRO A 78 26.687 -3.481 -12.875 1.00 0.00 C ATOM 1163 O PRO A 78 27.460 -4.391 -13.173 1.00 0.00 O ATOM 1164 CB PRO A 78 26.032 -2.669 -10.593 1.00 0.00 C ATOM 1165 CG PRO A 78 26.869 -3.462 -9.649 1.00 0.00 C ATOM 1166 CD PRO A 78 26.358 -4.874 -9.729 1.00 0.00 C ATOM 0 HA PRO A 78 24.716 -3.476 -12.171 1.00 0.00 H new ATOM 0 HB2 PRO A 78 26.572 -1.798 -10.965 1.00 0.00 H new ATOM 0 HB3 PRO A 78 25.128 -2.300 -10.107 1.00 0.00 H new ATOM 0 HG2 PRO A 78 27.922 -3.412 -9.925 1.00 0.00 H new ATOM 0 HG3 PRO A 78 26.787 -3.074 -8.634 1.00 0.00 H new ATOM 0 HD2 PRO A 78 27.158 -5.600 -9.582 1.00 0.00 H new ATOM 0 HD3 PRO A 78 25.604 -5.072 -8.967 1.00 0.00 H new ATOM 1174 N VAL A 79 26.658 -2.317 -13.518 1.00 0.00 N ATOM 1175 CA VAL A 79 27.554 -2.038 -14.633 1.00 0.00 C ATOM 1176 C VAL A 79 28.114 -0.622 -14.547 1.00 0.00 C ATOM 1177 O VAL A 79 27.440 0.296 -14.081 1.00 0.00 O ATOM 1178 CB VAL A 79 26.838 -2.213 -15.986 1.00 0.00 C ATOM 1179 CG1 VAL A 79 25.700 -1.213 -16.121 1.00 0.00 C ATOM 1180 CG2 VAL A 79 27.826 -2.067 -17.133 1.00 0.00 C ATOM 0 H VAL A 79 26.024 -1.553 -13.285 1.00 0.00 H new ATOM 0 HA VAL A 79 28.373 -2.755 -14.568 1.00 0.00 H new ATOM 0 HB VAL A 79 26.414 -3.216 -16.027 1.00 0.00 H new ATOM 0 HG11 VAL A 79 25.206 -1.352 -17.083 1.00 0.00 H new ATOM 0 HG12 VAL A 79 24.980 -1.370 -15.317 1.00 0.00 H new ATOM 0 HG13 VAL A 79 26.097 -0.200 -16.060 1.00 0.00 H new ATOM 0 HG21 VAL A 79 27.304 -2.193 -18.081 1.00 0.00 H new ATOM 0 HG22 VAL A 79 28.280 -1.077 -17.098 1.00 0.00 H new ATOM 0 HG23 VAL A 79 28.603 -2.826 -17.043 1.00 0.00 H new ATOM 1190 N SER A 80 29.352 -0.453 -14.999 1.00 0.00 N ATOM 1191 CA SER A 80 30.005 0.850 -14.970 1.00 0.00 C ATOM 1192 C SER A 80 30.749 1.115 -16.276 1.00 0.00 C ATOM 1193 O SER A 80 31.550 0.295 -16.724 1.00 0.00 O ATOM 1194 CB SER A 80 30.977 0.931 -13.791 1.00 0.00 C ATOM 1195 OG SER A 80 30.280 1.059 -12.564 1.00 0.00 O ATOM 0 H SER A 80 29.923 -1.202 -15.390 1.00 0.00 H new ATOM 0 HA SER A 80 29.235 1.612 -14.850 1.00 0.00 H new ATOM 0 HB2 SER A 80 31.600 0.037 -13.767 1.00 0.00 H new ATOM 0 HB3 SER A 80 31.645 1.782 -13.924 1.00 0.00 H new ATOM 0 HG SER A 80 30.923 1.107 -11.826 1.00 0.00 H new ATOM 1201 N GLY A 81 30.478 2.267 -16.882 1.00 0.00 N ATOM 1202 CA GLY A 81 31.128 2.620 -18.130 1.00 0.00 C ATOM 1203 C GLY A 81 30.661 3.957 -18.670 1.00 0.00 C ATOM 1204 O GLY A 81 29.690 4.041 -19.423 1.00 0.00 O ATOM 0 H GLY A 81 29.820 2.962 -16.530 1.00 0.00 H new ATOM 0 HA2 GLY A 81 32.207 2.650 -17.978 1.00 0.00 H new ATOM 0 HA3 GLY A 81 30.932 1.844 -18.870 1.00 0.00 H new ATOM 1208 N PRO A 82 31.359 5.033 -18.281 1.00 0.00 N ATOM 1209 CA PRO A 82 31.027 6.393 -18.718 1.00 0.00 C ATOM 1210 C PRO A 82 31.322 6.614 -20.198 1.00 0.00 C ATOM 1211 O PRO A 82 31.842 5.728 -20.876 1.00 0.00 O ATOM 1212 CB PRO A 82 31.933 7.274 -17.855 1.00 0.00 C ATOM 1213 CG PRO A 82 33.085 6.399 -17.498 1.00 0.00 C ATOM 1214 CD PRO A 82 32.527 5.007 -17.385 1.00 0.00 C ATOM 0 HA PRO A 82 29.965 6.610 -18.604 1.00 0.00 H new ATOM 0 HB2 PRO A 82 32.262 8.158 -18.401 1.00 0.00 H new ATOM 0 HB3 PRO A 82 31.412 7.625 -16.964 1.00 0.00 H new ATOM 0 HG2 PRO A 82 33.863 6.447 -18.260 1.00 0.00 H new ATOM 0 HG3 PRO A 82 33.539 6.715 -16.559 1.00 0.00 H new ATOM 0 HD2 PRO A 82 33.254 4.256 -17.695 1.00 0.00 H new ATOM 0 HD3 PRO A 82 32.242 4.771 -16.360 1.00 0.00 H new ATOM 1222 N SER A 83 30.989 7.802 -20.692 1.00 0.00 N ATOM 1223 CA SER A 83 31.215 8.138 -22.093 1.00 0.00 C ATOM 1224 C SER A 83 31.041 9.636 -22.327 1.00 0.00 C ATOM 1225 O SER A 83 30.333 10.313 -21.583 1.00 0.00 O ATOM 1226 CB SER A 83 30.254 7.355 -22.989 1.00 0.00 C ATOM 1227 OG SER A 83 30.600 7.498 -24.355 1.00 0.00 O ATOM 0 H SER A 83 30.562 8.548 -20.143 1.00 0.00 H new ATOM 0 HA SER A 83 32.239 7.865 -22.346 1.00 0.00 H new ATOM 0 HB2 SER A 83 30.273 6.300 -22.714 1.00 0.00 H new ATOM 0 HB3 SER A 83 29.235 7.707 -22.830 1.00 0.00 H new ATOM 0 HG SER A 83 29.972 6.987 -24.907 1.00 0.00 H new ATOM 1233 N SER A 84 31.694 10.145 -23.367 1.00 0.00 N ATOM 1234 CA SER A 84 31.615 11.563 -23.698 1.00 0.00 C ATOM 1235 C SER A 84 32.336 11.855 -25.011 1.00 0.00 C ATOM 1236 O SER A 84 32.980 10.979 -25.586 1.00 0.00 O ATOM 1237 CB SER A 84 32.220 12.406 -22.573 1.00 0.00 C ATOM 1238 OG SER A 84 33.518 11.948 -22.234 1.00 0.00 O ATOM 0 H SER A 84 32.283 9.597 -23.994 1.00 0.00 H new ATOM 0 HA SER A 84 30.563 11.826 -23.814 1.00 0.00 H new ATOM 0 HB2 SER A 84 32.269 13.450 -22.882 1.00 0.00 H new ATOM 0 HB3 SER A 84 31.575 12.363 -21.695 1.00 0.00 H new ATOM 0 HG SER A 84 33.883 12.504 -21.514 1.00 0.00 H new ATOM 1244 N GLY A 85 32.221 13.094 -25.479 1.00 0.00 N ATOM 1245 CA GLY A 85 32.866 13.481 -26.720 1.00 0.00 C ATOM 1246 C GLY A 85 32.134 14.603 -27.429 1.00 0.00 C ATOM 1247 O GLY A 85 30.947 14.800 -27.172 1.00 0.00 O ATOM 0 H GLY A 85 31.693 13.837 -25.021 1.00 0.00 H new ATOM 0 HA2 GLY A 85 33.889 13.794 -26.512 1.00 0.00 H new ATOM 0 HA3 GLY A 85 32.925 12.616 -27.380 1.00 0.00 H new TER 1251 GLY A 85 HETATM 1252 ZN ZN A 201 0.290 0.841 -11.513 1.00 0.00 ZN HETATM 1253 ZN ZN A 401 8.156 1.360 -3.026 1.00 0.00 ZN