USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=23 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 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 35 THR OG1 : rot 41:sc= -0.661 USER MOD Set 2.2: A 40 SER OG : rot -170:sc=-0.00542 USER MOD Set 2.3: A 48 ASN : amide:sc= -2.97! C(o=-3.6!,f=-2.2!) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0811 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00127 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 47:sc= 1.2 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.0743 X(o=-0.074,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 20 THR OG1 : rot -140:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -166:sc=-0.00681 (180deg=-0.116) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -114:sc= -0.342 (180deg=-1.93) USER MOD Single : A 25 MET CE :methyl 162:sc= -0.026 (180deg=-0.107) USER MOD Single : A 26 LYS NZ :NH3+ -137:sc= -0.84 (180deg=-2.31) USER MOD Single : A 27 HIS : no HE2:sc= -0.43! C(o=-0.43!,f=-5.7!) 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 69:sc= 1.04 USER MOD Single : A 47 ASN : amide:sc=-0.00319 K(o=-0.0032,f=-0.85) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -5.24! C(o=-5.2!,f=-7.1!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.504 X(o=-0.5,f=-0.27) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 150:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.798 X(o=-0.8,f=-1.2) 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 -33.259 76.755 -8.006 1.00 0.00 N ATOM 2 CA GLY A 1 -33.661 75.417 -7.615 1.00 0.00 C ATOM 3 C GLY A 1 -33.006 74.344 -8.463 1.00 0.00 C ATOM 4 O GLY A 1 -32.415 74.639 -9.501 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.696 77.185 -7.245 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.688 76.706 -8.874 1.00 0.00 H new ATOM 0 H3 GLY A 1 -34.105 77.335 -8.180 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.405 75.255 -6.568 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.744 75.328 -7.695 1.00 0.00 H new ATOM 8 N SER A 2 -33.110 73.096 -8.018 1.00 0.00 N ATOM 9 CA SER A 2 -32.518 71.975 -8.740 1.00 0.00 C ATOM 10 C SER A 2 -32.896 70.648 -8.089 1.00 0.00 C ATOM 11 O SER A 2 -33.394 70.616 -6.964 1.00 0.00 O ATOM 12 CB SER A 2 -30.995 72.118 -8.786 1.00 0.00 C ATOM 13 OG SER A 2 -30.428 71.231 -9.735 1.00 0.00 O ATOM 0 H SER A 2 -33.598 72.835 -7.161 1.00 0.00 H new ATOM 0 HA SER A 2 -32.908 71.984 -9.758 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.730 73.145 -9.040 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.578 71.916 -7.800 1.00 0.00 H new ATOM 0 HG SER A 2 -29.454 71.343 -9.747 1.00 0.00 H new ATOM 19 N SER A 3 -32.655 69.555 -8.806 1.00 0.00 N ATOM 20 CA SER A 3 -32.974 68.225 -8.300 1.00 0.00 C ATOM 21 C SER A 3 -32.450 67.146 -9.243 1.00 0.00 C ATOM 22 O SER A 3 -32.054 67.431 -10.373 1.00 0.00 O ATOM 23 CB SER A 3 -34.486 68.072 -8.122 1.00 0.00 C ATOM 24 OG SER A 3 -35.176 68.408 -9.314 1.00 0.00 O ATOM 0 H SER A 3 -32.240 69.564 -9.738 1.00 0.00 H new ATOM 0 HA SER A 3 -32.488 68.105 -7.332 1.00 0.00 H new ATOM 0 HB2 SER A 3 -34.720 67.046 -7.839 1.00 0.00 H new ATOM 0 HB3 SER A 3 -34.826 68.712 -7.308 1.00 0.00 H new ATOM 0 HG SER A 3 -36.140 68.301 -9.175 1.00 0.00 H new ATOM 30 N GLY A 4 -32.451 65.903 -8.770 1.00 0.00 N ATOM 31 CA GLY A 4 -31.973 64.800 -9.582 1.00 0.00 C ATOM 32 C GLY A 4 -32.111 63.462 -8.882 1.00 0.00 C ATOM 33 O GLY A 4 -32.470 63.404 -7.706 1.00 0.00 O ATOM 0 H GLY A 4 -32.774 65.641 -7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -32.529 64.775 -10.519 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -30.926 64.967 -9.837 1.00 0.00 H new ATOM 37 N SER A 5 -31.827 62.385 -9.606 1.00 0.00 N ATOM 38 CA SER A 5 -31.926 61.041 -9.049 1.00 0.00 C ATOM 39 C SER A 5 -31.383 60.005 -10.028 1.00 0.00 C ATOM 40 O SER A 5 -31.477 60.175 -11.244 1.00 0.00 O ATOM 41 CB SER A 5 -33.380 60.717 -8.700 1.00 0.00 C ATOM 42 OG SER A 5 -33.684 61.101 -7.370 1.00 0.00 O ATOM 0 H SER A 5 -31.526 62.417 -10.580 1.00 0.00 H new ATOM 0 HA SER A 5 -31.325 61.006 -8.140 1.00 0.00 H new ATOM 0 HB2 SER A 5 -34.047 61.232 -9.392 1.00 0.00 H new ATOM 0 HB3 SER A 5 -33.557 59.649 -8.823 1.00 0.00 H new ATOM 0 HG SER A 5 -33.350 62.008 -7.207 1.00 0.00 H new ATOM 48 N SER A 6 -30.815 58.931 -9.489 1.00 0.00 N ATOM 49 CA SER A 6 -30.253 57.868 -10.314 1.00 0.00 C ATOM 50 C SER A 6 -29.875 56.661 -9.461 1.00 0.00 C ATOM 51 O SER A 6 -29.842 56.739 -8.234 1.00 0.00 O ATOM 52 CB SER A 6 -29.024 58.377 -11.070 1.00 0.00 C ATOM 53 OG SER A 6 -27.919 58.540 -10.198 1.00 0.00 O ATOM 0 H SER A 6 -30.732 58.774 -8.485 1.00 0.00 H new ATOM 0 HA SER A 6 -31.012 57.560 -11.033 1.00 0.00 H new ATOM 0 HB2 SER A 6 -28.765 57.675 -11.863 1.00 0.00 H new ATOM 0 HB3 SER A 6 -29.256 59.328 -11.549 1.00 0.00 H new ATOM 0 HG SER A 6 -27.146 58.864 -10.706 1.00 0.00 H new ATOM 59 N GLY A 7 -29.591 55.543 -10.123 1.00 0.00 N ATOM 60 CA GLY A 7 -29.220 54.333 -9.411 1.00 0.00 C ATOM 61 C GLY A 7 -28.845 53.202 -10.347 1.00 0.00 C ATOM 62 O GLY A 7 -28.897 53.354 -11.568 1.00 0.00 O ATOM 0 H GLY A 7 -29.611 55.453 -11.139 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -28.380 54.547 -8.750 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -30.050 54.018 -8.779 1.00 0.00 H new ATOM 66 N ILE A 8 -28.464 52.065 -9.775 1.00 0.00 N ATOM 67 CA ILE A 8 -28.078 50.903 -10.567 1.00 0.00 C ATOM 68 C ILE A 8 -28.465 49.606 -9.864 1.00 0.00 C ATOM 69 O ILE A 8 -28.673 49.582 -8.651 1.00 0.00 O ATOM 70 CB ILE A 8 -26.564 50.891 -10.847 1.00 0.00 C ATOM 71 CG1 ILE A 8 -25.781 50.811 -9.535 1.00 0.00 C ATOM 72 CG2 ILE A 8 -26.161 52.128 -11.636 1.00 0.00 C ATOM 73 CD1 ILE A 8 -24.377 50.275 -9.701 1.00 0.00 C ATOM 0 H ILE A 8 -28.414 51.923 -8.766 1.00 0.00 H new ATOM 0 HA ILE A 8 -28.613 50.974 -11.514 1.00 0.00 H new ATOM 0 HB ILE A 8 -26.327 50.010 -11.444 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -25.732 51.805 -9.090 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -26.324 50.175 -8.836 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -25.088 52.105 -11.826 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -26.697 52.145 -12.585 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -26.409 53.022 -11.063 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -23.881 50.246 -8.731 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -24.419 49.268 -10.117 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -23.817 50.923 -10.375 1.00 0.00 H new ATOM 85 N HIS A 9 -28.557 48.527 -10.635 1.00 0.00 N ATOM 86 CA HIS A 9 -28.916 47.224 -10.087 1.00 0.00 C ATOM 87 C HIS A 9 -28.001 46.133 -10.636 1.00 0.00 C ATOM 88 O HIS A 9 -27.482 46.245 -11.747 1.00 0.00 O ATOM 89 CB HIS A 9 -30.373 46.895 -10.410 1.00 0.00 C ATOM 90 CG HIS A 9 -30.699 46.986 -11.869 1.00 0.00 C ATOM 91 ND1 HIS A 9 -30.814 45.880 -12.685 1.00 0.00 N ATOM 92 CD2 HIS A 9 -30.935 48.060 -12.658 1.00 0.00 C ATOM 93 CE1 HIS A 9 -31.106 46.270 -13.913 1.00 0.00 C ATOM 94 NE2 HIS A 9 -31.185 47.589 -13.923 1.00 0.00 N ATOM 0 H HIS A 9 -28.388 48.529 -11.641 1.00 0.00 H new ATOM 0 HA HIS A 9 -28.793 47.266 -9.005 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -30.596 45.888 -10.059 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -31.021 47.576 -9.858 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -30.928 49.095 -12.350 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -31.255 45.621 -14.764 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -31.397 48.164 -14.738 1.00 0.00 H new ATOM 102 N HIS A 10 -27.809 45.078 -9.850 1.00 0.00 N ATOM 103 CA HIS A 10 -26.957 43.966 -10.258 1.00 0.00 C ATOM 104 C HIS A 10 -27.421 42.662 -9.616 1.00 0.00 C ATOM 105 O HIS A 10 -28.329 42.656 -8.784 1.00 0.00 O ATOM 106 CB HIS A 10 -25.502 44.245 -9.880 1.00 0.00 C ATOM 107 CG HIS A 10 -24.738 44.980 -10.938 1.00 0.00 C ATOM 108 ND1 HIS A 10 -24.390 44.411 -12.145 1.00 0.00 N ATOM 109 CD2 HIS A 10 -24.256 46.244 -10.966 1.00 0.00 C ATOM 110 CE1 HIS A 10 -23.725 45.294 -12.869 1.00 0.00 C ATOM 111 NE2 HIS A 10 -23.631 46.415 -12.177 1.00 0.00 N ATOM 0 H HIS A 10 -28.231 44.970 -8.928 1.00 0.00 H new ATOM 0 HA HIS A 10 -27.030 43.863 -11.341 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -25.480 44.826 -8.958 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -25.001 43.299 -9.673 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -24.346 46.981 -10.182 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -23.326 45.127 -13.859 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -23.169 47.269 -12.491 1.00 0.00 H new ATOM 119 N LEU A 11 -26.793 41.559 -10.009 1.00 0.00 N ATOM 120 CA LEU A 11 -27.142 40.248 -9.472 1.00 0.00 C ATOM 121 C LEU A 11 -25.978 39.273 -9.618 1.00 0.00 C ATOM 122 O LEU A 11 -25.478 39.025 -10.715 1.00 0.00 O ATOM 123 CB LEU A 11 -28.377 39.696 -10.185 1.00 0.00 C ATOM 124 CG LEU A 11 -29.301 38.817 -9.342 1.00 0.00 C ATOM 125 CD1 LEU A 11 -28.625 37.495 -9.011 1.00 0.00 C ATOM 126 CD2 LEU A 11 -29.712 39.541 -8.068 1.00 0.00 C ATOM 0 H LEU A 11 -26.040 41.546 -10.697 1.00 0.00 H new ATOM 0 HA LEU A 11 -27.364 40.364 -8.411 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -28.957 40.536 -10.568 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -28.046 39.118 -11.048 1.00 0.00 H new ATOM 0 HG LEU A 11 -30.199 38.607 -9.923 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -29.298 36.883 -8.411 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -28.383 36.969 -9.934 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -27.710 37.685 -8.451 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -30.369 38.900 -7.481 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -28.824 39.782 -7.484 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -30.237 40.461 -8.325 1.00 0.00 H new ATOM 138 N PRO A 12 -25.537 38.705 -8.486 1.00 0.00 N ATOM 139 CA PRO A 12 -24.429 37.745 -8.462 1.00 0.00 C ATOM 140 C PRO A 12 -24.802 36.412 -9.101 1.00 0.00 C ATOM 141 O PRO A 12 -25.976 36.059 -9.216 1.00 0.00 O ATOM 142 CB PRO A 12 -24.150 37.562 -6.968 1.00 0.00 C ATOM 143 CG PRO A 12 -25.440 37.890 -6.299 1.00 0.00 C ATOM 144 CD PRO A 12 -26.085 38.955 -7.143 1.00 0.00 C ATOM 0 HA PRO A 12 -23.570 38.101 -9.030 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -23.837 36.542 -6.746 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -23.350 38.221 -6.631 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -26.078 37.009 -6.228 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -25.273 38.246 -5.282 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -27.172 38.874 -7.131 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -25.836 39.955 -6.787 1.00 0.00 H new ATOM 152 N PRO A 13 -23.782 35.653 -9.528 1.00 0.00 N ATOM 153 CA PRO A 13 -23.979 34.346 -10.162 1.00 0.00 C ATOM 154 C PRO A 13 -24.479 33.294 -9.179 1.00 0.00 C ATOM 155 O PRO A 13 -24.578 33.549 -7.978 1.00 0.00 O ATOM 156 CB PRO A 13 -22.580 33.983 -10.668 1.00 0.00 C ATOM 157 CG PRO A 13 -21.649 34.734 -9.780 1.00 0.00 C ATOM 158 CD PRO A 13 -22.357 36.012 -9.423 1.00 0.00 C ATOM 0 HA PRO A 13 -24.735 34.383 -10.946 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -22.404 32.909 -10.608 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -22.450 34.270 -11.711 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -21.411 34.157 -8.886 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -20.706 34.939 -10.287 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -22.100 36.347 -8.418 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -22.095 36.821 -10.105 1.00 0.00 H new ATOM 166 N VAL A 14 -24.793 32.110 -9.695 1.00 0.00 N ATOM 167 CA VAL A 14 -25.281 31.018 -8.861 1.00 0.00 C ATOM 168 C VAL A 14 -24.169 30.022 -8.553 1.00 0.00 C ATOM 169 O VAL A 14 -23.577 29.435 -9.458 1.00 0.00 O ATOM 170 CB VAL A 14 -26.448 30.274 -9.537 1.00 0.00 C ATOM 171 CG1 VAL A 14 -26.904 29.104 -8.679 1.00 0.00 C ATOM 172 CG2 VAL A 14 -27.601 31.228 -9.809 1.00 0.00 C ATOM 0 H VAL A 14 -24.718 31.883 -10.686 1.00 0.00 H new ATOM 0 HA VAL A 14 -25.634 31.464 -7.931 1.00 0.00 H new ATOM 0 HB VAL A 14 -26.100 29.879 -10.492 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -27.729 28.591 -9.173 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -26.075 28.410 -8.540 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -27.235 29.472 -7.708 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -28.417 30.686 -10.287 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -27.950 31.654 -8.869 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -27.263 32.029 -10.467 1.00 0.00 H new ATOM 182 N LYS A 15 -23.889 29.836 -7.267 1.00 0.00 N ATOM 183 CA LYS A 15 -22.848 28.909 -6.837 1.00 0.00 C ATOM 184 C LYS A 15 -23.440 27.773 -6.009 1.00 0.00 C ATOM 185 O LYS A 15 -23.986 27.998 -4.930 1.00 0.00 O ATOM 186 CB LYS A 15 -21.785 29.648 -6.021 1.00 0.00 C ATOM 187 CG LYS A 15 -21.033 30.702 -6.815 1.00 0.00 C ATOM 188 CD LYS A 15 -20.132 30.073 -7.864 1.00 0.00 C ATOM 189 CE LYS A 15 -19.633 31.107 -8.862 1.00 0.00 C ATOM 190 NZ LYS A 15 -19.112 30.472 -10.104 1.00 0.00 N ATOM 0 H LYS A 15 -24.368 30.315 -6.505 1.00 0.00 H new ATOM 0 HA LYS A 15 -22.384 28.483 -7.727 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -22.262 30.123 -5.164 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -21.072 28.923 -5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -21.745 31.371 -7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -20.434 31.311 -6.137 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -19.282 29.596 -7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -20.677 29.290 -8.391 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -20.445 31.789 -9.116 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.846 31.705 -8.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.782 31.209 -10.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.321 29.841 -9.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -19.869 29.922 -10.557 1.00 0.00 H new ATOM 204 N ALA A 16 -23.326 26.552 -6.522 1.00 0.00 N ATOM 205 CA ALA A 16 -23.847 25.380 -5.829 1.00 0.00 C ATOM 206 C ALA A 16 -22.718 24.553 -5.224 1.00 0.00 C ATOM 207 O ALA A 16 -21.579 24.578 -5.691 1.00 0.00 O ATOM 208 CB ALA A 16 -24.677 24.530 -6.779 1.00 0.00 C ATOM 0 H ALA A 16 -22.877 26.349 -7.415 1.00 0.00 H new ATOM 0 HA ALA A 16 -24.486 25.724 -5.016 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -25.059 23.658 -6.248 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -25.512 25.119 -7.159 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -24.055 24.203 -7.612 1.00 0.00 H new ATOM 214 N PRO A 17 -23.037 23.802 -4.160 1.00 0.00 N ATOM 215 CA PRO A 17 -22.063 22.954 -3.468 1.00 0.00 C ATOM 216 C PRO A 17 -21.638 21.755 -4.309 1.00 0.00 C ATOM 217 O PRO A 17 -22.457 20.898 -4.645 1.00 0.00 O ATOM 218 CB PRO A 17 -22.818 22.491 -2.220 1.00 0.00 C ATOM 219 CG PRO A 17 -24.257 22.566 -2.598 1.00 0.00 C ATOM 220 CD PRO A 17 -24.375 23.724 -3.549 1.00 0.00 C ATOM 0 HA PRO A 17 -21.139 23.490 -3.249 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -22.535 21.476 -1.940 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -22.599 23.131 -1.365 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -24.586 21.639 -3.069 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -24.884 22.717 -1.719 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -25.149 23.552 -4.297 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -24.634 24.646 -3.029 1.00 0.00 H new ATOM 228 N LEU A 18 -20.355 21.699 -4.647 1.00 0.00 N ATOM 229 CA LEU A 18 -19.821 20.604 -5.449 1.00 0.00 C ATOM 230 C LEU A 18 -18.701 19.881 -4.708 1.00 0.00 C ATOM 231 O LEU A 18 -18.106 20.428 -3.780 1.00 0.00 O ATOM 232 CB LEU A 18 -19.304 21.131 -6.789 1.00 0.00 C ATOM 233 CG LEU A 18 -19.124 20.092 -7.895 1.00 0.00 C ATOM 234 CD1 LEU A 18 -19.366 20.717 -9.260 1.00 0.00 C ATOM 235 CD2 LEU A 18 -17.734 19.475 -7.828 1.00 0.00 C ATOM 0 H LEU A 18 -19.664 22.400 -4.378 1.00 0.00 H new ATOM 0 HA LEU A 18 -20.628 19.894 -5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -19.993 21.896 -7.146 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -18.345 21.620 -6.618 1.00 0.00 H new ATOM 0 HG LEU A 18 -19.858 19.301 -7.745 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -19.233 19.962 -10.035 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -20.382 21.109 -9.306 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.656 21.529 -9.419 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -17.625 18.738 -8.623 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -16.983 20.256 -7.951 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -17.598 18.989 -6.862 1.00 0.00 H new ATOM 247 N GLN A 19 -18.420 18.651 -5.125 1.00 0.00 N ATOM 248 CA GLN A 19 -17.370 17.854 -4.501 1.00 0.00 C ATOM 249 C GLN A 19 -17.310 18.114 -2.999 1.00 0.00 C ATOM 250 O GLN A 19 -16.230 18.183 -2.412 1.00 0.00 O ATOM 251 CB GLN A 19 -16.016 18.167 -5.139 1.00 0.00 C ATOM 252 CG GLN A 19 -15.528 19.581 -4.868 1.00 0.00 C ATOM 253 CD GLN A 19 -14.315 19.950 -5.700 1.00 0.00 C ATOM 254 OE1 GLN A 19 -14.428 20.220 -6.896 1.00 0.00 O ATOM 255 NE2 GLN A 19 -13.146 19.962 -5.070 1.00 0.00 N ATOM 0 H GLN A 19 -18.904 18.185 -5.892 1.00 0.00 H new ATOM 0 HA GLN A 19 -17.604 16.801 -4.660 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.276 17.459 -4.767 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -16.088 18.017 -6.216 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -16.334 20.285 -5.075 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.282 19.680 -3.811 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.099 19.731 -4.078 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.295 20.202 -5.579 1.00 0.00 H new ATOM 264 N THR A 20 -18.478 18.258 -2.381 1.00 0.00 N ATOM 265 CA THR A 20 -18.559 18.512 -0.948 1.00 0.00 C ATOM 266 C THR A 20 -18.068 17.310 -0.149 1.00 0.00 C ATOM 267 O THR A 20 -17.100 17.408 0.607 1.00 0.00 O ATOM 268 CB THR A 20 -20.000 18.846 -0.517 1.00 0.00 C ATOM 269 OG1 THR A 20 -20.497 19.948 -1.284 1.00 0.00 O ATOM 270 CG2 THR A 20 -20.056 19.187 0.965 1.00 0.00 C ATOM 0 H THR A 20 -19.382 18.203 -2.851 1.00 0.00 H new ATOM 0 HA THR A 20 -17.918 19.369 -0.742 1.00 0.00 H new ATOM 0 HB THR A 20 -20.622 17.969 -0.696 1.00 0.00 H new ATOM 0 HG1 THR A 20 -21.018 20.542 -0.704 1.00 0.00 H new ATOM 0 HG21 THR A 20 -21.083 19.419 1.246 1.00 0.00 H new ATOM 0 HG22 THR A 20 -19.704 18.336 1.548 1.00 0.00 H new ATOM 0 HG23 THR A 20 -19.421 20.050 1.164 1.00 0.00 H new ATOM 278 N LYS A 21 -18.739 16.177 -0.320 1.00 0.00 N ATOM 279 CA LYS A 21 -18.370 14.954 0.384 1.00 0.00 C ATOM 280 C LYS A 21 -16.903 14.610 0.144 1.00 0.00 C ATOM 281 O LYS A 21 -16.213 15.286 -0.620 1.00 0.00 O ATOM 282 CB LYS A 21 -19.258 13.793 -0.068 1.00 0.00 C ATOM 283 CG LYS A 21 -20.542 13.661 0.733 1.00 0.00 C ATOM 284 CD LYS A 21 -21.243 12.343 0.450 1.00 0.00 C ATOM 285 CE LYS A 21 -22.111 12.430 -0.796 1.00 0.00 C ATOM 286 NZ LYS A 21 -23.347 13.224 -0.557 1.00 0.00 N ATOM 0 H LYS A 21 -19.542 16.079 -0.941 1.00 0.00 H new ATOM 0 HA LYS A 21 -18.516 15.120 1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -19.508 13.927 -1.120 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -18.694 12.864 0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -20.317 13.733 1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -21.209 14.488 0.491 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -20.501 11.555 0.323 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -21.859 12.066 1.305 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -21.539 12.883 -1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -22.382 11.425 -1.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -24.017 13.067 -1.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -23.783 12.927 0.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.106 14.234 -0.506 1.00 0.00 H new ATOM 300 N LYS A 22 -16.434 13.554 0.798 1.00 0.00 N ATOM 301 CA LYS A 22 -15.050 13.117 0.655 1.00 0.00 C ATOM 302 C LYS A 22 -14.971 11.805 -0.120 1.00 0.00 C ATOM 303 O LYS A 22 -14.908 10.726 0.471 1.00 0.00 O ATOM 304 CB LYS A 22 -14.401 12.949 2.030 1.00 0.00 C ATOM 305 CG LYS A 22 -12.942 12.530 1.968 1.00 0.00 C ATOM 306 CD LYS A 22 -12.204 12.886 3.247 1.00 0.00 C ATOM 307 CE LYS A 22 -11.750 14.337 3.243 1.00 0.00 C ATOM 308 NZ LYS A 22 -10.561 14.549 4.115 1.00 0.00 N ATOM 0 H LYS A 22 -16.992 12.984 1.433 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.510 13.882 0.097 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -14.477 13.890 2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -14.960 12.205 2.598 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.878 11.455 1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.459 13.016 1.121 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.854 12.709 4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.339 12.233 3.363 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.511 14.640 2.224 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.567 14.974 3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.283 15.551 4.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.796 14.284 5.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.773 13.960 3.777 1.00 0.00 H new ATOM 322 N LYS A 23 -14.974 11.904 -1.445 1.00 0.00 N ATOM 323 CA LYS A 23 -14.900 10.726 -2.301 1.00 0.00 C ATOM 324 C LYS A 23 -13.467 10.212 -2.396 1.00 0.00 C ATOM 325 O LYS A 23 -12.566 10.936 -2.821 1.00 0.00 O ATOM 326 CB LYS A 23 -15.430 11.052 -3.699 1.00 0.00 C ATOM 327 CG LYS A 23 -14.733 12.232 -4.354 1.00 0.00 C ATOM 328 CD LYS A 23 -15.233 12.458 -5.771 1.00 0.00 C ATOM 329 CE LYS A 23 -16.505 13.292 -5.787 1.00 0.00 C ATOM 330 NZ LYS A 23 -16.279 14.660 -5.244 1.00 0.00 N ATOM 0 H LYS A 23 -15.027 12.789 -1.950 1.00 0.00 H new ATOM 0 HA LYS A 23 -15.519 9.946 -1.858 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -15.316 10.174 -4.335 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -16.498 11.262 -3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.901 13.130 -3.760 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.657 12.057 -4.370 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.461 12.959 -6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.421 11.497 -6.249 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.879 13.364 -6.808 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.275 12.791 -5.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.812 14.774 -4.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.265 14.796 -5.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.602 15.366 -5.936 1.00 0.00 H new ATOM 344 N ILE A 24 -13.265 8.960 -2.001 1.00 0.00 N ATOM 345 CA ILE A 24 -11.942 8.350 -2.045 1.00 0.00 C ATOM 346 C ILE A 24 -11.278 8.574 -3.399 1.00 0.00 C ATOM 347 O ILE A 24 -11.786 8.135 -4.430 1.00 0.00 O ATOM 348 CB ILE A 24 -12.010 6.837 -1.763 1.00 0.00 C ATOM 349 CG1 ILE A 24 -12.634 6.580 -0.390 1.00 0.00 C ATOM 350 CG2 ILE A 24 -10.622 6.220 -1.844 1.00 0.00 C ATOM 351 CD1 ILE A 24 -13.279 5.217 -0.265 1.00 0.00 C ATOM 0 H ILE A 24 -14.000 8.348 -1.647 1.00 0.00 H new ATOM 0 HA ILE A 24 -11.347 8.830 -1.268 1.00 0.00 H new ATOM 0 HB ILE A 24 -12.639 6.369 -2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.864 6.680 0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.382 7.347 -0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.687 5.151 -1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -10.212 6.377 -2.842 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.971 6.690 -1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.700 5.104 0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -14.072 5.120 -1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.530 4.443 -0.432 1.00 0.00 H new ATOM 363 N MET A 25 -10.139 9.258 -3.387 1.00 0.00 N ATOM 364 CA MET A 25 -9.403 9.538 -4.615 1.00 0.00 C ATOM 365 C MET A 25 -7.948 9.096 -4.489 1.00 0.00 C ATOM 366 O MET A 25 -7.079 9.885 -4.116 1.00 0.00 O ATOM 367 CB MET A 25 -9.469 11.030 -4.946 1.00 0.00 C ATOM 368 CG MET A 25 -9.072 11.928 -3.785 1.00 0.00 C ATOM 369 SD MET A 25 -9.427 13.667 -4.099 1.00 0.00 S ATOM 370 CE MET A 25 -11.079 13.803 -3.420 1.00 0.00 C ATOM 0 H MET A 25 -9.705 9.629 -2.541 1.00 0.00 H new ATOM 0 HA MET A 25 -9.867 8.974 -5.424 1.00 0.00 H new ATOM 0 HB2 MET A 25 -8.815 11.235 -5.794 1.00 0.00 H new ATOM 0 HB3 MET A 25 -10.483 11.280 -5.258 1.00 0.00 H new ATOM 0 HG2 MET A 25 -9.601 11.610 -2.887 1.00 0.00 H new ATOM 0 HG3 MET A 25 -8.007 11.809 -3.586 1.00 0.00 H new ATOM 0 HE1 MET A 25 -11.315 14.853 -3.244 1.00 0.00 H new ATOM 0 HE2 MET A 25 -11.797 13.383 -4.124 1.00 0.00 H new ATOM 0 HE3 MET A 25 -11.132 13.256 -2.478 1.00 0.00 H new ATOM 380 N LYS A 26 -7.689 7.831 -4.802 1.00 0.00 N ATOM 381 CA LYS A 26 -6.340 7.285 -4.726 1.00 0.00 C ATOM 382 C LYS A 26 -6.131 6.202 -5.779 1.00 0.00 C ATOM 383 O LYS A 26 -6.999 5.355 -5.995 1.00 0.00 O ATOM 384 CB LYS A 26 -6.078 6.712 -3.331 1.00 0.00 C ATOM 385 CG LYS A 26 -6.703 5.346 -3.107 1.00 0.00 C ATOM 386 CD LYS A 26 -6.175 4.691 -1.842 1.00 0.00 C ATOM 387 CE LYS A 26 -7.120 3.611 -1.337 1.00 0.00 C ATOM 388 NZ LYS A 26 -8.452 4.168 -0.969 1.00 0.00 N ATOM 0 H LYS A 26 -8.397 7.164 -5.111 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.636 8.095 -4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.002 6.640 -3.173 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.464 7.406 -2.584 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.786 5.447 -3.040 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.495 4.705 -3.964 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.195 4.256 -2.038 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.039 5.447 -1.069 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.245 2.849 -2.106 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.680 3.119 -0.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.770 3.745 -0.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.378 5.199 -0.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.139 3.948 -1.718 1.00 0.00 H new ATOM 402 N HIS A 27 -4.973 6.233 -6.432 1.00 0.00 N ATOM 403 CA HIS A 27 -4.650 5.252 -7.462 1.00 0.00 C ATOM 404 C HIS A 27 -3.142 5.041 -7.557 1.00 0.00 C ATOM 405 O HIS A 27 -2.358 5.881 -7.114 1.00 0.00 O ATOM 406 CB HIS A 27 -5.199 5.703 -8.816 1.00 0.00 C ATOM 407 CG HIS A 27 -4.710 7.053 -9.241 1.00 0.00 C ATOM 408 ND1 HIS A 27 -3.450 7.526 -8.943 1.00 0.00 N ATOM 409 CD2 HIS A 27 -5.320 8.033 -9.948 1.00 0.00 C ATOM 410 CE1 HIS A 27 -3.306 8.739 -9.446 1.00 0.00 C ATOM 411 NE2 HIS A 27 -4.427 9.070 -10.062 1.00 0.00 N ATOM 0 H HIS A 27 -4.243 6.926 -6.266 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.116 4.306 -7.186 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.922 4.970 -9.574 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.288 5.718 -8.771 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -2.739 7.018 -8.416 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.323 8.005 -10.348 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -2.423 9.355 -9.367 1.00 0.00 H new ATOM 419 N CYS A 28 -2.742 3.913 -8.136 1.00 0.00 N ATOM 420 CA CYS A 28 -1.329 3.590 -8.287 1.00 0.00 C ATOM 421 C CYS A 28 -0.502 4.854 -8.506 1.00 0.00 C ATOM 422 O CYS A 28 -0.977 5.826 -9.094 1.00 0.00 O ATOM 423 CB CYS A 28 -1.127 2.627 -9.459 1.00 0.00 C ATOM 424 SG CYS A 28 0.601 2.105 -9.703 1.00 0.00 S ATOM 0 H CYS A 28 -3.378 3.207 -8.508 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.992 3.110 -7.368 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.743 1.742 -9.299 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.484 3.103 -10.372 1.00 0.00 H new ATOM 429 N PHE A 29 0.738 4.833 -8.028 1.00 0.00 N ATOM 430 CA PHE A 29 1.631 5.977 -8.170 1.00 0.00 C ATOM 431 C PHE A 29 2.503 5.835 -9.414 1.00 0.00 C ATOM 432 O PHE A 29 2.977 6.827 -9.970 1.00 0.00 O ATOM 433 CB PHE A 29 2.513 6.119 -6.928 1.00 0.00 C ATOM 434 CG PHE A 29 3.312 7.391 -6.902 1.00 0.00 C ATOM 435 CD1 PHE A 29 2.721 8.588 -6.529 1.00 0.00 C ATOM 436 CD2 PHE A 29 4.653 7.391 -7.251 1.00 0.00 C ATOM 437 CE1 PHE A 29 3.454 9.760 -6.505 1.00 0.00 C ATOM 438 CE2 PHE A 29 5.390 8.559 -7.229 1.00 0.00 C ATOM 439 CZ PHE A 29 4.790 9.745 -6.854 1.00 0.00 C ATOM 0 H PHE A 29 1.147 4.037 -7.539 1.00 0.00 H new ATOM 0 HA PHE A 29 1.020 6.873 -8.277 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.884 6.076 -6.039 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.195 5.270 -6.877 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.677 8.605 -6.254 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.128 6.466 -7.544 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.982 10.687 -6.213 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.434 8.545 -7.505 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.365 10.659 -6.834 1.00 0.00 H new ATOM 449 N LEU A 30 2.711 4.596 -9.845 1.00 0.00 N ATOM 450 CA LEU A 30 3.527 4.323 -11.023 1.00 0.00 C ATOM 451 C LEU A 30 2.783 4.702 -12.300 1.00 0.00 C ATOM 452 O LEU A 30 3.135 5.672 -12.971 1.00 0.00 O ATOM 453 CB LEU A 30 3.916 2.844 -11.066 1.00 0.00 C ATOM 454 CG LEU A 30 5.030 2.471 -12.044 1.00 0.00 C ATOM 455 CD1 LEU A 30 6.354 3.074 -11.600 1.00 0.00 C ATOM 456 CD2 LEU A 30 5.146 0.959 -12.170 1.00 0.00 C ATOM 0 H LEU A 30 2.326 3.765 -9.397 1.00 0.00 H new ATOM 0 HA LEU A 30 4.431 4.929 -10.957 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.222 2.540 -10.065 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.029 2.263 -11.318 1.00 0.00 H new ATOM 0 HG LEU A 30 4.779 2.878 -13.023 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.135 2.798 -12.308 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.265 4.160 -11.563 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.612 2.697 -10.610 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.944 0.712 -12.870 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.373 0.529 -11.195 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.204 0.551 -12.536 1.00 0.00 H new ATOM 468 N CYS A 31 1.752 3.931 -12.629 1.00 0.00 N ATOM 469 CA CYS A 31 0.957 4.187 -13.824 1.00 0.00 C ATOM 470 C CYS A 31 -0.230 5.091 -13.505 1.00 0.00 C ATOM 471 O CYS A 31 -0.484 6.070 -14.205 1.00 0.00 O ATOM 472 CB CYS A 31 0.461 2.869 -14.423 1.00 0.00 C ATOM 473 SG CYS A 31 -0.630 1.914 -13.321 1.00 0.00 S ATOM 0 H CYS A 31 1.448 3.124 -12.085 1.00 0.00 H new ATOM 0 HA CYS A 31 1.592 4.694 -14.551 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -0.073 3.082 -15.349 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.322 2.255 -14.685 1.00 0.00 H new ATOM 478 N GLY A 32 -0.954 4.755 -12.441 1.00 0.00 N ATOM 479 CA GLY A 32 -2.106 5.546 -12.047 1.00 0.00 C ATOM 480 C GLY A 32 -3.402 4.766 -12.136 1.00 0.00 C ATOM 481 O GLY A 32 -4.481 5.350 -12.247 1.00 0.00 O ATOM 0 H GLY A 32 -0.763 3.949 -11.845 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.968 5.900 -11.025 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.172 6.428 -12.684 1.00 0.00 H new ATOM 485 N LYS A 33 -3.299 3.442 -12.088 1.00 0.00 N ATOM 486 CA LYS A 33 -4.473 2.580 -12.164 1.00 0.00 C ATOM 487 C LYS A 33 -5.292 2.661 -10.879 1.00 0.00 C ATOM 488 O LYS A 33 -4.739 2.726 -9.781 1.00 0.00 O ATOM 489 CB LYS A 33 -4.051 1.131 -12.421 1.00 0.00 C ATOM 490 CG LYS A 33 -5.220 0.170 -12.547 1.00 0.00 C ATOM 491 CD LYS A 33 -4.762 -1.212 -12.979 1.00 0.00 C ATOM 492 CE LYS A 33 -4.296 -1.217 -14.427 1.00 0.00 C ATOM 493 NZ LYS A 33 -3.885 -2.578 -14.873 1.00 0.00 N ATOM 0 H LYS A 33 -2.414 2.942 -11.997 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.093 2.925 -12.992 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.458 1.091 -13.335 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.405 0.800 -11.608 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.739 0.100 -11.591 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.936 0.560 -13.271 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.950 -1.546 -12.333 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.580 -1.922 -12.856 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.098 -0.852 -15.068 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.458 -0.529 -14.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.574 -2.539 -15.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.102 -2.917 -14.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.691 -3.229 -14.788 1.00 0.00 H new ATOM 507 N LYS A 34 -6.613 2.656 -11.024 1.00 0.00 N ATOM 508 CA LYS A 34 -7.509 2.726 -9.876 1.00 0.00 C ATOM 509 C LYS A 34 -7.149 1.667 -8.839 1.00 0.00 C ATOM 510 O LYS A 34 -6.789 0.541 -9.185 1.00 0.00 O ATOM 511 CB LYS A 34 -8.961 2.543 -10.325 1.00 0.00 C ATOM 512 CG LYS A 34 -9.171 1.344 -11.232 1.00 0.00 C ATOM 513 CD LYS A 34 -9.570 0.109 -10.441 1.00 0.00 C ATOM 514 CE LYS A 34 -11.068 0.076 -10.178 1.00 0.00 C ATOM 515 NZ LYS A 34 -11.395 -0.656 -8.923 1.00 0.00 N ATOM 0 H LYS A 34 -7.087 2.604 -11.926 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.397 3.709 -9.419 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.594 2.437 -9.444 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.288 3.443 -10.846 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.944 1.573 -11.966 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.255 1.142 -11.787 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.276 -0.786 -10.989 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.033 0.093 -9.493 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.448 1.096 -10.113 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.574 -0.400 -11.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.425 -0.656 -8.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.055 -1.636 -8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.933 -0.187 -8.117 1.00 0.00 H new ATOM 529 N THR A 35 -7.251 2.033 -7.565 1.00 0.00 N ATOM 530 CA THR A 35 -6.936 1.115 -6.478 1.00 0.00 C ATOM 531 C THR A 35 -7.758 1.433 -5.235 1.00 0.00 C ATOM 532 O THR A 35 -7.584 2.482 -4.615 1.00 0.00 O ATOM 533 CB THR A 35 -5.440 1.163 -6.117 1.00 0.00 C ATOM 534 OG1 THR A 35 -5.041 2.515 -5.861 1.00 0.00 O ATOM 535 CG2 THR A 35 -4.593 0.583 -7.240 1.00 0.00 C ATOM 0 H THR A 35 -7.550 2.960 -7.261 1.00 0.00 H new ATOM 0 HA THR A 35 -7.185 0.113 -6.828 1.00 0.00 H new ATOM 0 HB THR A 35 -5.286 0.563 -5.220 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.740 2.970 -5.346 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.540 0.628 -6.962 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.879 -0.455 -7.413 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.752 1.160 -8.151 1.00 0.00 H new ATOM 543 N GLY A 36 -8.655 0.520 -4.874 1.00 0.00 N ATOM 544 CA GLY A 36 -9.491 0.723 -3.705 1.00 0.00 C ATOM 545 C GLY A 36 -9.948 -0.583 -3.085 1.00 0.00 C ATOM 546 O GLY A 36 -9.411 -1.016 -2.064 1.00 0.00 O ATOM 0 H GLY A 36 -8.818 -0.356 -5.370 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.939 1.300 -2.963 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.363 1.314 -3.984 1.00 0.00 H new ATOM 550 N LEU A 37 -10.942 -1.213 -3.702 1.00 0.00 N ATOM 551 CA LEU A 37 -11.473 -2.477 -3.204 1.00 0.00 C ATOM 552 C LEU A 37 -10.426 -3.583 -3.302 1.00 0.00 C ATOM 553 O LEU A 37 -10.148 -4.093 -4.386 1.00 0.00 O ATOM 554 CB LEU A 37 -12.724 -2.872 -3.991 1.00 0.00 C ATOM 555 CG LEU A 37 -13.621 -3.926 -3.340 1.00 0.00 C ATOM 556 CD1 LEU A 37 -15.070 -3.721 -3.753 1.00 0.00 C ATOM 557 CD2 LEU A 37 -13.152 -5.326 -3.707 1.00 0.00 C ATOM 0 H LEU A 37 -11.396 -0.869 -4.548 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.738 -2.344 -2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.318 -1.975 -4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.413 -3.242 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.554 -3.815 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.694 -4.480 -3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -15.401 -2.731 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -15.155 -3.805 -4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.802 -6.063 -3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.189 -5.450 -4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.129 -5.470 -3.360 1.00 0.00 H new ATOM 569 N ALA A 38 -9.852 -3.949 -2.160 1.00 0.00 N ATOM 570 CA ALA A 38 -8.840 -4.997 -2.116 1.00 0.00 C ATOM 571 C ALA A 38 -7.930 -4.933 -3.338 1.00 0.00 C ATOM 572 O ALA A 38 -7.600 -5.959 -3.934 1.00 0.00 O ATOM 573 CB ALA A 38 -9.501 -6.364 -2.018 1.00 0.00 C ATOM 0 H ALA A 38 -10.071 -3.535 -1.254 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.225 -4.838 -1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.734 -7.138 -1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.104 -6.413 -1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.140 -6.522 -2.887 1.00 0.00 H new ATOM 579 N THR A 39 -7.527 -3.721 -3.707 1.00 0.00 N ATOM 580 CA THR A 39 -6.657 -3.524 -4.859 1.00 0.00 C ATOM 581 C THR A 39 -5.409 -2.735 -4.477 1.00 0.00 C ATOM 582 O THR A 39 -4.289 -3.138 -4.788 1.00 0.00 O ATOM 583 CB THR A 39 -7.388 -2.785 -5.996 1.00 0.00 C ATOM 584 OG1 THR A 39 -8.680 -3.366 -6.206 1.00 0.00 O ATOM 585 CG2 THR A 39 -6.584 -2.846 -7.286 1.00 0.00 C ATOM 0 H THR A 39 -7.789 -2.862 -3.225 1.00 0.00 H new ATOM 0 HA THR A 39 -6.366 -4.515 -5.207 1.00 0.00 H new ATOM 0 HB THR A 39 -7.502 -1.740 -5.706 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.253 -3.177 -5.434 1.00 0.00 H new ATOM 0 HG21 THR A 39 -7.120 -2.318 -8.074 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.612 -2.378 -7.131 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.443 -3.887 -7.578 1.00 0.00 H new ATOM 593 N SER A 40 -5.611 -1.610 -3.799 1.00 0.00 N ATOM 594 CA SER A 40 -4.502 -0.763 -3.377 1.00 0.00 C ATOM 595 C SER A 40 -3.603 -1.498 -2.387 1.00 0.00 C ATOM 596 O SER A 40 -4.078 -2.066 -1.403 1.00 0.00 O ATOM 597 CB SER A 40 -5.029 0.527 -2.744 1.00 0.00 C ATOM 598 OG SER A 40 -4.012 1.511 -2.669 1.00 0.00 O ATOM 0 H SER A 40 -6.532 -1.264 -3.530 1.00 0.00 H new ATOM 0 HA SER A 40 -3.913 -0.512 -4.259 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.865 0.908 -3.330 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.410 0.316 -1.745 1.00 0.00 H new ATOM 0 HG SER A 40 -4.324 2.263 -2.123 1.00 0.00 H new ATOM 604 N PHE A 41 -2.302 -1.483 -2.655 1.00 0.00 N ATOM 605 CA PHE A 41 -1.335 -2.148 -1.789 1.00 0.00 C ATOM 606 C PHE A 41 -0.435 -1.130 -1.095 1.00 0.00 C ATOM 607 O PHE A 41 -0.357 0.027 -1.506 1.00 0.00 O ATOM 608 CB PHE A 41 -0.484 -3.129 -2.599 1.00 0.00 C ATOM 609 CG PHE A 41 -1.235 -4.354 -3.036 1.00 0.00 C ATOM 610 CD1 PHE A 41 -1.356 -5.447 -2.193 1.00 0.00 C ATOM 611 CD2 PHE A 41 -1.821 -4.413 -4.291 1.00 0.00 C ATOM 612 CE1 PHE A 41 -2.046 -6.576 -2.593 1.00 0.00 C ATOM 613 CE2 PHE A 41 -2.513 -5.539 -4.696 1.00 0.00 C ATOM 614 CZ PHE A 41 -2.625 -6.622 -3.846 1.00 0.00 C ATOM 0 H PHE A 41 -1.893 -1.018 -3.465 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.886 -2.698 -1.026 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.094 -2.618 -3.479 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.375 -3.433 -2.000 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.906 -5.416 -1.212 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.736 -3.569 -4.960 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.132 -7.421 -1.926 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.966 -5.572 -5.676 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.164 -7.503 -4.161 1.00 0.00 H new ATOM 624 N GLU A 42 0.242 -1.571 -0.039 1.00 0.00 N ATOM 625 CA GLU A 42 1.135 -0.698 0.713 1.00 0.00 C ATOM 626 C GLU A 42 2.571 -1.212 0.660 1.00 0.00 C ATOM 627 O GLU A 42 2.846 -2.359 1.014 1.00 0.00 O ATOM 628 CB GLU A 42 0.674 -0.591 2.169 1.00 0.00 C ATOM 629 CG GLU A 42 1.076 0.711 2.841 1.00 0.00 C ATOM 630 CD GLU A 42 2.568 0.797 3.100 1.00 0.00 C ATOM 631 OE1 GLU A 42 3.197 -0.262 3.306 1.00 0.00 O ATOM 632 OE2 GLU A 42 3.106 1.924 3.097 1.00 0.00 O ATOM 0 H GLU A 42 0.189 -2.526 0.314 1.00 0.00 H new ATOM 0 HA GLU A 42 1.104 0.291 0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.411 -0.689 2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.089 -1.425 2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.771 1.549 2.214 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.541 0.809 3.786 1.00 0.00 H new ATOM 639 N CYS A 43 3.484 -0.355 0.214 1.00 0.00 N ATOM 640 CA CYS A 43 4.891 -0.721 0.112 1.00 0.00 C ATOM 641 C CYS A 43 5.686 -0.160 1.288 1.00 0.00 C ATOM 642 O CYS A 43 5.214 0.724 2.004 1.00 0.00 O ATOM 643 CB CYS A 43 5.479 -0.209 -1.204 1.00 0.00 C ATOM 644 SG CYS A 43 7.097 -0.931 -1.627 1.00 0.00 S ATOM 0 H CYS A 43 3.274 0.598 -0.083 1.00 0.00 H new ATOM 0 HA CYS A 43 4.960 -1.809 0.135 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.777 -0.421 -2.010 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.581 0.875 -1.147 1.00 0.00 H new ATOM 649 N ARG A 44 6.893 -0.681 1.482 1.00 0.00 N ATOM 650 CA ARG A 44 7.752 -0.233 2.571 1.00 0.00 C ATOM 651 C ARG A 44 8.089 1.248 2.425 1.00 0.00 C ATOM 652 O ARG A 44 8.284 1.952 3.416 1.00 0.00 O ATOM 653 CB ARG A 44 9.040 -1.059 2.606 1.00 0.00 C ATOM 654 CG ARG A 44 8.867 -2.431 3.237 1.00 0.00 C ATOM 655 CD ARG A 44 8.472 -3.474 2.202 1.00 0.00 C ATOM 656 NE ARG A 44 7.946 -4.687 2.822 1.00 0.00 N ATOM 657 CZ ARG A 44 8.693 -5.549 3.502 1.00 0.00 C ATOM 658 NH1 ARG A 44 9.993 -5.332 3.650 1.00 0.00 N ATOM 659 NH2 ARG A 44 8.141 -6.630 4.037 1.00 0.00 N ATOM 0 H ARG A 44 7.298 -1.414 0.899 1.00 0.00 H new ATOM 0 HA ARG A 44 7.212 -0.374 3.507 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.411 -1.181 1.588 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.800 -0.507 3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.797 -2.730 3.720 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.105 -2.382 4.015 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.721 -3.054 1.532 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.339 -3.726 1.591 1.00 0.00 H new ATOM 0 HE ARG A 44 6.949 -4.883 2.728 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.421 -4.501 3.241 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.565 -5.996 4.173 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.141 -6.800 3.926 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.716 -7.291 4.559 1.00 0.00 H new ATOM 673 N CYS A 45 8.156 1.714 1.182 1.00 0.00 N ATOM 674 CA CYS A 45 8.470 3.111 0.905 1.00 0.00 C ATOM 675 C CYS A 45 7.317 4.020 1.320 1.00 0.00 C ATOM 676 O CYS A 45 7.531 5.093 1.882 1.00 0.00 O ATOM 677 CB CYS A 45 8.774 3.301 -0.583 1.00 0.00 C ATOM 678 SG CYS A 45 7.405 2.829 -1.688 1.00 0.00 S ATOM 0 H CYS A 45 7.997 1.145 0.351 1.00 0.00 H new ATOM 0 HA CYS A 45 9.351 3.382 1.487 1.00 0.00 H new ATOM 0 HB2 CYS A 45 9.026 4.346 -0.761 1.00 0.00 H new ATOM 0 HB3 CYS A 45 9.654 2.712 -0.841 1.00 0.00 H new ATOM 683 N GLY A 46 6.094 3.582 1.038 1.00 0.00 N ATOM 684 CA GLY A 46 4.925 4.368 1.389 1.00 0.00 C ATOM 685 C GLY A 46 4.173 4.865 0.171 1.00 0.00 C ATOM 686 O GLY A 46 3.536 5.916 0.212 1.00 0.00 O ATOM 0 H GLY A 46 5.892 2.697 0.573 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.257 3.765 2.003 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.233 5.220 1.995 1.00 0.00 H new ATOM 690 N ASN A 47 4.249 4.107 -0.919 1.00 0.00 N ATOM 691 CA ASN A 47 3.572 4.478 -2.156 1.00 0.00 C ATOM 692 C ASN A 47 2.520 3.439 -2.533 1.00 0.00 C ATOM 693 O ASN A 47 2.796 2.241 -2.554 1.00 0.00 O ATOM 694 CB ASN A 47 4.586 4.629 -3.292 1.00 0.00 C ATOM 695 CG ASN A 47 5.523 5.802 -3.079 1.00 0.00 C ATOM 696 OD1 ASN A 47 5.144 6.815 -2.491 1.00 0.00 O ATOM 697 ND2 ASN A 47 6.754 5.670 -3.558 1.00 0.00 N ATOM 0 H ASN A 47 4.772 3.233 -0.970 1.00 0.00 H new ATOM 0 HA ASN A 47 3.072 5.433 -1.995 1.00 0.00 H new ATOM 0 HB2 ASN A 47 5.170 3.712 -3.378 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.055 4.759 -4.235 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.429 6.426 -3.445 1.00 0.00 H new ATOM 0 HD22 ASN A 47 7.025 4.812 -4.039 1.00 0.00 H new ATOM 704 N ASN A 48 1.312 3.909 -2.830 1.00 0.00 N ATOM 705 CA ASN A 48 0.218 3.021 -3.206 1.00 0.00 C ATOM 706 C ASN A 48 0.278 2.683 -4.693 1.00 0.00 C ATOM 707 O ASN A 48 0.110 3.554 -5.546 1.00 0.00 O ATOM 708 CB ASN A 48 -1.128 3.667 -2.873 1.00 0.00 C ATOM 709 CG ASN A 48 -1.618 4.584 -3.976 1.00 0.00 C ATOM 710 OD1 ASN A 48 -1.000 5.608 -4.268 1.00 0.00 O ATOM 711 ND2 ASN A 48 -2.735 4.220 -4.596 1.00 0.00 N ATOM 0 H ASN A 48 1.067 4.899 -2.817 1.00 0.00 H new ATOM 0 HA ASN A 48 0.321 2.097 -2.637 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.869 2.887 -2.697 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.036 4.234 -1.947 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.113 4.798 -5.347 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.215 3.363 -4.321 1.00 0.00 H new ATOM 718 N PHE A 49 0.520 1.412 -4.995 1.00 0.00 N ATOM 719 CA PHE A 49 0.603 0.958 -6.379 1.00 0.00 C ATOM 720 C PHE A 49 -0.521 -0.024 -6.697 1.00 0.00 C ATOM 721 O PHE A 49 -1.286 -0.417 -5.816 1.00 0.00 O ATOM 722 CB PHE A 49 1.959 0.300 -6.641 1.00 0.00 C ATOM 723 CG PHE A 49 3.123 1.231 -6.454 1.00 0.00 C ATOM 724 CD1 PHE A 49 3.319 2.299 -7.316 1.00 0.00 C ATOM 725 CD2 PHE A 49 4.021 1.039 -5.417 1.00 0.00 C ATOM 726 CE1 PHE A 49 4.388 3.158 -7.146 1.00 0.00 C ATOM 727 CE2 PHE A 49 5.092 1.895 -5.242 1.00 0.00 C ATOM 728 CZ PHE A 49 5.277 2.955 -6.108 1.00 0.00 C ATOM 0 H PHE A 49 0.662 0.678 -4.301 1.00 0.00 H new ATOM 0 HA PHE A 49 0.497 1.827 -7.028 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.075 -0.553 -5.972 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.975 -0.089 -7.659 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.628 2.462 -8.130 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.883 0.211 -4.737 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.528 3.987 -7.824 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.784 1.735 -4.428 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.115 3.624 -5.974 1.00 0.00 H new ATOM 738 N CYS A 50 -0.615 -0.417 -7.963 1.00 0.00 N ATOM 739 CA CYS A 50 -1.644 -1.351 -8.401 1.00 0.00 C ATOM 740 C CYS A 50 -1.206 -2.794 -8.164 1.00 0.00 C ATOM 741 O CYS A 50 -0.045 -3.057 -7.854 1.00 0.00 O ATOM 742 CB CYS A 50 -1.958 -1.139 -9.883 1.00 0.00 C ATOM 743 SG CYS A 50 -0.507 -1.268 -10.976 1.00 0.00 S ATOM 0 H CYS A 50 0.011 -0.102 -8.704 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.544 -1.162 -7.815 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.701 -1.873 -10.195 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.409 -0.155 -10.011 1.00 0.00 H new ATOM 748 N ALA A 51 -2.144 -3.723 -8.311 1.00 0.00 N ATOM 749 CA ALA A 51 -1.855 -5.138 -8.116 1.00 0.00 C ATOM 750 C ALA A 51 -0.718 -5.597 -9.022 1.00 0.00 C ATOM 751 O ALA A 51 0.034 -6.509 -8.678 1.00 0.00 O ATOM 752 CB ALA A 51 -3.103 -5.972 -8.368 1.00 0.00 C ATOM 0 H ALA A 51 -3.111 -3.521 -8.565 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.540 -5.279 -7.082 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.872 -7.027 -8.219 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.888 -5.671 -7.675 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.444 -5.817 -9.392 1.00 0.00 H new ATOM 758 N SER A 52 -0.598 -4.958 -10.182 1.00 0.00 N ATOM 759 CA SER A 52 0.446 -5.304 -11.140 1.00 0.00 C ATOM 760 C SER A 52 1.772 -4.654 -10.757 1.00 0.00 C ATOM 761 O SER A 52 2.844 -5.196 -11.029 1.00 0.00 O ATOM 762 CB SER A 52 0.039 -4.868 -12.549 1.00 0.00 C ATOM 763 OG SER A 52 0.787 -5.560 -13.533 1.00 0.00 O ATOM 0 H SER A 52 -1.210 -4.199 -10.481 1.00 0.00 H new ATOM 0 HA SER A 52 0.575 -6.386 -11.125 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.024 -5.055 -12.698 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.192 -3.795 -12.659 1.00 0.00 H new ATOM 0 HG SER A 52 0.507 -5.265 -14.424 1.00 0.00 H new ATOM 769 N HIS A 53 1.691 -3.488 -10.125 1.00 0.00 N ATOM 770 CA HIS A 53 2.884 -2.762 -9.703 1.00 0.00 C ATOM 771 C HIS A 53 2.976 -2.705 -8.182 1.00 0.00 C ATOM 772 O HIS A 53 3.639 -1.831 -7.623 1.00 0.00 O ATOM 773 CB HIS A 53 2.876 -1.346 -10.279 1.00 0.00 C ATOM 774 CG HIS A 53 2.763 -1.307 -11.772 1.00 0.00 C ATOM 775 ND1 HIS A 53 2.383 -0.179 -12.469 1.00 0.00 N ATOM 776 CD2 HIS A 53 2.984 -2.266 -12.702 1.00 0.00 C ATOM 777 CE1 HIS A 53 2.374 -0.447 -13.763 1.00 0.00 C ATOM 778 NE2 HIS A 53 2.735 -1.706 -13.931 1.00 0.00 N ATOM 0 H HIS A 53 0.812 -3.025 -9.894 1.00 0.00 H new ATOM 0 HA HIS A 53 3.756 -3.295 -10.082 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.044 -0.791 -9.845 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.791 -0.835 -9.979 1.00 0.00 H new ATOM 0 HD2 HIS A 53 3.298 -3.282 -12.513 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.115 0.246 -14.550 1.00 0.00 H new ATOM 0 HE2 HIS A 53 2.816 -2.185 -14.828 1.00 0.00 H new ATOM 786 N ARG A 54 2.306 -3.640 -7.517 1.00 0.00 N ATOM 787 CA ARG A 54 2.310 -3.695 -6.061 1.00 0.00 C ATOM 788 C ARG A 54 3.690 -4.080 -5.535 1.00 0.00 C ATOM 789 O ARG A 54 4.073 -3.698 -4.429 1.00 0.00 O ATOM 790 CB ARG A 54 1.266 -4.695 -5.563 1.00 0.00 C ATOM 791 CG ARG A 54 1.686 -6.147 -5.727 1.00 0.00 C ATOM 792 CD ARG A 54 0.499 -7.088 -5.599 1.00 0.00 C ATOM 793 NE ARG A 54 0.906 -8.431 -5.194 1.00 0.00 N ATOM 794 CZ ARG A 54 0.189 -9.522 -5.438 1.00 0.00 C ATOM 795 NH1 ARG A 54 -0.966 -9.429 -6.083 1.00 0.00 N ATOM 796 NH2 ARG A 54 0.626 -10.709 -5.037 1.00 0.00 N ATOM 0 H ARG A 54 1.753 -4.371 -7.965 1.00 0.00 H new ATOM 0 HA ARG A 54 2.060 -2.703 -5.685 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.063 -4.501 -4.510 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.333 -4.532 -6.103 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.156 -6.283 -6.701 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.433 -6.398 -4.974 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.204 -6.687 -4.869 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.026 -7.141 -6.553 1.00 0.00 H new ATOM 0 HE ARG A 54 1.790 -8.537 -4.696 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.305 -8.518 -6.393 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.515 -10.268 -6.269 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.514 -10.785 -4.541 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.074 -11.546 -5.225 1.00 0.00 H new ATOM 810 N TYR A 55 4.431 -4.838 -6.335 1.00 0.00 N ATOM 811 CA TYR A 55 5.767 -5.278 -5.950 1.00 0.00 C ATOM 812 C TYR A 55 6.756 -4.117 -5.992 1.00 0.00 C ATOM 813 O TYR A 55 6.510 -3.101 -6.642 1.00 0.00 O ATOM 814 CB TYR A 55 6.243 -6.402 -6.872 1.00 0.00 C ATOM 815 CG TYR A 55 5.148 -7.369 -7.262 1.00 0.00 C ATOM 816 CD1 TYR A 55 4.307 -7.102 -8.335 1.00 0.00 C ATOM 817 CD2 TYR A 55 4.956 -8.551 -6.557 1.00 0.00 C ATOM 818 CE1 TYR A 55 3.306 -7.983 -8.694 1.00 0.00 C ATOM 819 CE2 TYR A 55 3.957 -9.439 -6.910 1.00 0.00 C ATOM 820 CZ TYR A 55 3.135 -9.150 -7.979 1.00 0.00 C ATOM 821 OH TYR A 55 2.139 -10.031 -8.334 1.00 0.00 O ATOM 0 H TYR A 55 4.129 -5.161 -7.254 1.00 0.00 H new ATOM 0 HA TYR A 55 5.718 -5.653 -4.928 1.00 0.00 H new ATOM 0 HB2 TYR A 55 6.668 -5.964 -7.775 1.00 0.00 H new ATOM 0 HB3 TYR A 55 7.043 -6.952 -6.377 1.00 0.00 H new ATOM 0 HD1 TYR A 55 4.438 -6.190 -8.898 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.598 -8.780 -5.719 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.660 -7.759 -9.530 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.821 -10.354 -6.352 1.00 0.00 H new ATOM 0 HH TYR A 55 2.155 -10.803 -7.730 1.00 0.00 H new ATOM 831 N ALA A 56 7.876 -4.277 -5.294 1.00 0.00 N ATOM 832 CA ALA A 56 8.904 -3.244 -5.254 1.00 0.00 C ATOM 833 C ALA A 56 9.546 -3.054 -6.624 1.00 0.00 C ATOM 834 O ALA A 56 9.405 -2.000 -7.244 1.00 0.00 O ATOM 835 CB ALA A 56 9.962 -3.593 -4.218 1.00 0.00 C ATOM 0 H ALA A 56 8.094 -5.111 -4.749 1.00 0.00 H new ATOM 0 HA ALA A 56 8.429 -2.305 -4.971 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.723 -2.813 -4.199 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.497 -3.671 -3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.425 -4.545 -4.477 1.00 0.00 H new ATOM 841 N GLU A 57 10.250 -4.081 -7.090 1.00 0.00 N ATOM 842 CA GLU A 57 10.914 -4.024 -8.387 1.00 0.00 C ATOM 843 C GLU A 57 9.979 -3.462 -9.454 1.00 0.00 C ATOM 844 O GLU A 57 10.389 -2.664 -10.296 1.00 0.00 O ATOM 845 CB GLU A 57 11.396 -5.417 -8.799 1.00 0.00 C ATOM 846 CG GLU A 57 10.299 -6.467 -8.794 1.00 0.00 C ATOM 847 CD GLU A 57 10.845 -7.882 -8.775 1.00 0.00 C ATOM 848 OE1 GLU A 57 11.924 -8.108 -9.362 1.00 0.00 O ATOM 849 OE2 GLU A 57 10.194 -8.762 -8.174 1.00 0.00 O ATOM 0 H GLU A 57 10.375 -4.961 -6.590 1.00 0.00 H new ATOM 0 HA GLU A 57 11.774 -3.361 -8.297 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.829 -5.362 -9.798 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.191 -5.732 -8.123 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.661 -6.316 -7.923 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.672 -6.336 -9.676 1.00 0.00 H new ATOM 856 N ALA A 58 8.720 -3.886 -9.411 1.00 0.00 N ATOM 857 CA ALA A 58 7.725 -3.424 -10.371 1.00 0.00 C ATOM 858 C ALA A 58 7.761 -1.906 -10.512 1.00 0.00 C ATOM 859 O ALA A 58 7.765 -1.376 -11.623 1.00 0.00 O ATOM 860 CB ALA A 58 6.336 -3.886 -9.956 1.00 0.00 C ATOM 0 H ALA A 58 8.365 -4.549 -8.722 1.00 0.00 H new ATOM 0 HA ALA A 58 7.964 -3.858 -11.342 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.603 -3.534 -10.682 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.312 -4.975 -9.915 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.096 -3.481 -8.973 1.00 0.00 H new ATOM 866 N HIS A 59 7.785 -1.212 -9.379 1.00 0.00 N ATOM 867 CA HIS A 59 7.820 0.246 -9.376 1.00 0.00 C ATOM 868 C HIS A 59 9.194 0.756 -8.951 1.00 0.00 C ATOM 869 O HIS A 59 9.322 1.862 -8.428 1.00 0.00 O ATOM 870 CB HIS A 59 6.745 0.801 -8.441 1.00 0.00 C ATOM 871 CG HIS A 59 7.048 0.592 -6.989 1.00 0.00 C ATOM 872 ND1 HIS A 59 6.464 -0.403 -6.235 1.00 0.00 N ATOM 873 CD2 HIS A 59 7.881 1.256 -6.154 1.00 0.00 C ATOM 874 CE1 HIS A 59 6.922 -0.342 -4.997 1.00 0.00 C ATOM 875 NE2 HIS A 59 7.784 0.657 -4.922 1.00 0.00 N ATOM 0 H HIS A 59 7.781 -1.636 -8.451 1.00 0.00 H new ATOM 0 HA HIS A 59 7.622 0.592 -10.391 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.627 1.868 -8.629 1.00 0.00 H new ATOM 0 HB3 HIS A 59 5.791 0.329 -8.676 1.00 0.00 H new ATOM 0 HD1 HIS A 59 5.784 -1.081 -6.579 1.00 0.00 H new ATOM 0 HD2 HIS A 59 8.505 2.099 -6.409 1.00 0.00 H new ATOM 0 HE1 HIS A 59 6.640 -0.996 -4.185 1.00 0.00 H new ATOM 883 N GLY A 60 10.219 -0.060 -9.179 1.00 0.00 N ATOM 884 CA GLY A 60 11.569 0.326 -8.812 1.00 0.00 C ATOM 885 C GLY A 60 11.629 1.016 -7.463 1.00 0.00 C ATOM 886 O GLY A 60 12.155 2.123 -7.347 1.00 0.00 O ATOM 0 H GLY A 60 10.139 -0.981 -9.611 1.00 0.00 H new ATOM 0 HA2 GLY A 60 12.204 -0.560 -8.792 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.973 0.991 -9.575 1.00 0.00 H new ATOM 890 N CYS A 61 11.088 0.361 -6.441 1.00 0.00 N ATOM 891 CA CYS A 61 11.080 0.918 -5.094 1.00 0.00 C ATOM 892 C CYS A 61 12.363 1.698 -4.820 1.00 0.00 C ATOM 893 O CYS A 61 13.458 1.244 -5.146 1.00 0.00 O ATOM 894 CB CYS A 61 10.916 -0.197 -4.060 1.00 0.00 C ATOM 895 SG CYS A 61 10.480 0.394 -2.392 1.00 0.00 S ATOM 0 H CYS A 61 10.649 -0.556 -6.520 1.00 0.00 H new ATOM 0 HA CYS A 61 10.236 1.603 -5.016 1.00 0.00 H new ATOM 0 HB2 CYS A 61 10.144 -0.886 -4.403 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.845 -0.764 -4.002 1.00 0.00 H new ATOM 900 N ASN A 62 12.217 2.874 -4.218 1.00 0.00 N ATOM 901 CA ASN A 62 13.364 3.717 -3.900 1.00 0.00 C ATOM 902 C ASN A 62 13.824 3.489 -2.463 1.00 0.00 C ATOM 903 O ASN A 62 15.015 3.570 -2.162 1.00 0.00 O ATOM 904 CB ASN A 62 13.012 5.191 -4.107 1.00 0.00 C ATOM 905 CG ASN A 62 11.668 5.555 -3.506 1.00 0.00 C ATOM 906 OD1 ASN A 62 10.653 5.588 -4.202 1.00 0.00 O ATOM 907 ND2 ASN A 62 11.655 5.830 -2.207 1.00 0.00 N ATOM 0 H ASN A 62 11.316 3.265 -3.941 1.00 0.00 H new ATOM 0 HA ASN A 62 14.180 3.447 -4.571 1.00 0.00 H new ATOM 0 HB2 ASN A 62 13.787 5.813 -3.660 1.00 0.00 H new ATOM 0 HB3 ASN A 62 13.002 5.413 -5.174 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.780 6.081 -1.748 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.520 5.790 -1.669 1.00 0.00 H new ATOM 914 N TYR A 63 12.873 3.204 -1.581 1.00 0.00 N ATOM 915 CA TYR A 63 13.180 2.966 -0.176 1.00 0.00 C ATOM 916 C TYR A 63 14.467 2.159 -0.028 1.00 0.00 C ATOM 917 O TYR A 63 14.569 1.037 -0.523 1.00 0.00 O ATOM 918 CB TYR A 63 12.023 2.231 0.504 1.00 0.00 C ATOM 919 CG TYR A 63 12.458 1.347 1.651 1.00 0.00 C ATOM 920 CD1 TYR A 63 13.411 1.780 2.564 1.00 0.00 C ATOM 921 CD2 TYR A 63 11.916 0.079 1.820 1.00 0.00 C ATOM 922 CE1 TYR A 63 13.812 0.975 3.614 1.00 0.00 C ATOM 923 CE2 TYR A 63 12.310 -0.732 2.867 1.00 0.00 C ATOM 924 CZ TYR A 63 13.258 -0.279 3.761 1.00 0.00 C ATOM 925 OH TYR A 63 13.654 -1.084 4.805 1.00 0.00 O ATOM 0 H TYR A 63 11.883 3.132 -1.814 1.00 0.00 H new ATOM 0 HA TYR A 63 13.321 3.933 0.307 1.00 0.00 H new ATOM 0 HB2 TYR A 63 11.305 2.963 0.873 1.00 0.00 H new ATOM 0 HB3 TYR A 63 11.505 1.622 -0.237 1.00 0.00 H new ATOM 0 HD1 TYR A 63 13.846 2.762 2.452 1.00 0.00 H new ATOM 0 HD2 TYR A 63 11.174 -0.279 1.121 1.00 0.00 H new ATOM 0 HE1 TYR A 63 14.555 1.326 4.315 1.00 0.00 H new ATOM 0 HE2 TYR A 63 11.878 -1.715 2.985 1.00 0.00 H new ATOM 0 HH TYR A 63 13.167 -1.934 4.766 1.00 0.00 H new ATOM 935 N ASP A 64 15.445 2.739 0.657 1.00 0.00 N ATOM 936 CA ASP A 64 16.726 2.075 0.873 1.00 0.00 C ATOM 937 C ASP A 64 16.534 0.751 1.605 1.00 0.00 C ATOM 938 O ASP A 64 16.623 0.690 2.832 1.00 0.00 O ATOM 939 CB ASP A 64 17.667 2.981 1.669 1.00 0.00 C ATOM 940 CG ASP A 64 19.070 2.416 1.766 1.00 0.00 C ATOM 941 OD1 ASP A 64 19.889 2.705 0.869 1.00 0.00 O ATOM 942 OD2 ASP A 64 19.349 1.683 2.738 1.00 0.00 O ATOM 0 H ASP A 64 15.376 3.668 1.073 1.00 0.00 H new ATOM 0 HA ASP A 64 17.170 1.870 -0.101 1.00 0.00 H new ATOM 0 HB2 ASP A 64 17.706 3.963 1.198 1.00 0.00 H new ATOM 0 HB3 ASP A 64 17.266 3.124 2.672 1.00 0.00 H new ATOM 947 N TYR A 65 16.270 -0.306 0.846 1.00 0.00 N ATOM 948 CA TYR A 65 16.062 -1.629 1.422 1.00 0.00 C ATOM 949 C TYR A 65 17.301 -2.093 2.183 1.00 0.00 C ATOM 950 O TYR A 65 18.283 -2.532 1.585 1.00 0.00 O ATOM 951 CB TYR A 65 15.716 -2.638 0.326 1.00 0.00 C ATOM 952 CG TYR A 65 14.236 -2.725 0.028 1.00 0.00 C ATOM 953 CD1 TYR A 65 13.353 -3.271 0.951 1.00 0.00 C ATOM 954 CD2 TYR A 65 13.721 -2.261 -1.176 1.00 0.00 C ATOM 955 CE1 TYR A 65 12.000 -3.353 0.684 1.00 0.00 C ATOM 956 CE2 TYR A 65 12.370 -2.338 -1.451 1.00 0.00 C ATOM 957 CZ TYR A 65 11.513 -2.885 -0.519 1.00 0.00 C ATOM 958 OH TYR A 65 10.167 -2.964 -0.790 1.00 0.00 O ATOM 0 H TYR A 65 16.195 -0.273 -0.171 1.00 0.00 H new ATOM 0 HA TYR A 65 15.230 -1.565 2.123 1.00 0.00 H new ATOM 0 HB2 TYR A 65 16.246 -2.366 -0.587 1.00 0.00 H new ATOM 0 HB3 TYR A 65 16.077 -3.623 0.623 1.00 0.00 H new ATOM 0 HD1 TYR A 65 13.731 -3.638 1.894 1.00 0.00 H new ATOM 0 HD2 TYR A 65 14.389 -1.833 -1.909 1.00 0.00 H new ATOM 0 HE1 TYR A 65 11.327 -3.781 1.413 1.00 0.00 H new ATOM 0 HE2 TYR A 65 11.986 -1.972 -2.392 1.00 0.00 H new ATOM 0 HH TYR A 65 9.908 -2.225 -1.380 1.00 0.00 H new ATOM 968 N LYS A 66 17.247 -1.991 3.506 1.00 0.00 N ATOM 969 CA LYS A 66 18.362 -2.401 4.352 1.00 0.00 C ATOM 970 C LYS A 66 18.147 -3.812 4.889 1.00 0.00 C ATOM 971 O LYS A 66 17.239 -4.052 5.685 1.00 0.00 O ATOM 972 CB LYS A 66 18.534 -1.422 5.515 1.00 0.00 C ATOM 973 CG LYS A 66 19.960 -1.332 6.029 1.00 0.00 C ATOM 974 CD LYS A 66 20.207 -2.313 7.163 1.00 0.00 C ATOM 975 CE LYS A 66 21.684 -2.390 7.521 1.00 0.00 C ATOM 976 NZ LYS A 66 21.961 -3.478 8.499 1.00 0.00 N ATOM 0 H LYS A 66 16.442 -1.628 4.017 1.00 0.00 H new ATOM 0 HA LYS A 66 19.267 -2.396 3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 66 18.209 -0.432 5.196 1.00 0.00 H new ATOM 0 HB3 LYS A 66 17.880 -1.724 6.333 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.655 -1.534 5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 66 20.160 -0.318 6.374 1.00 0.00 H new ATOM 0 HD2 LYS A 66 19.634 -2.010 8.039 1.00 0.00 H new ATOM 0 HD3 LYS A 66 19.849 -3.301 6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 66 22.269 -2.557 6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 66 22.007 -1.436 7.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 22.978 -3.498 8.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.423 -3.305 9.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 21.676 -4.392 8.092 1.00 0.00 H new ATOM 990 N SER A 67 18.990 -4.742 4.451 1.00 0.00 N ATOM 991 CA SER A 67 18.890 -6.131 4.886 1.00 0.00 C ATOM 992 C SER A 67 17.471 -6.658 4.699 1.00 0.00 C ATOM 993 O SER A 67 16.867 -7.189 5.631 1.00 0.00 O ATOM 994 CB SER A 67 19.305 -6.258 6.354 1.00 0.00 C ATOM 995 OG SER A 67 20.715 -6.241 6.489 1.00 0.00 O ATOM 0 H SER A 67 19.750 -4.559 3.795 1.00 0.00 H new ATOM 0 HA SER A 67 19.564 -6.728 4.272 1.00 0.00 H new ATOM 0 HB2 SER A 67 18.872 -5.440 6.930 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.908 -7.185 6.768 1.00 0.00 H new ATOM 0 HG SER A 67 20.954 -6.322 7.436 1.00 0.00 H new ATOM 1001 N ALA A 68 16.946 -6.508 3.488 1.00 0.00 N ATOM 1002 CA ALA A 68 15.599 -6.970 3.177 1.00 0.00 C ATOM 1003 C ALA A 68 15.577 -8.476 2.939 1.00 0.00 C ATOM 1004 O ALA A 68 14.769 -9.195 3.525 1.00 0.00 O ATOM 1005 CB ALA A 68 15.056 -6.234 1.961 1.00 0.00 C ATOM 0 H ALA A 68 17.433 -6.070 2.706 1.00 0.00 H new ATOM 0 HA ALA A 68 14.961 -6.754 4.034 1.00 0.00 H new ATOM 0 HB1 ALA A 68 14.049 -6.589 1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.026 -5.164 2.167 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.703 -6.421 1.104 1.00 0.00 H new ATOM 1011 N GLY A 69 16.470 -8.948 2.075 1.00 0.00 N ATOM 1012 CA GLY A 69 16.536 -10.366 1.775 1.00 0.00 C ATOM 1013 C GLY A 69 15.177 -10.952 1.445 1.00 0.00 C ATOM 1014 O GLY A 69 14.818 -12.020 1.941 1.00 0.00 O ATOM 0 H GLY A 69 17.150 -8.373 1.577 1.00 0.00 H new ATOM 0 HA2 GLY A 69 17.211 -10.525 0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.959 -10.896 2.628 1.00 0.00 H new ATOM 1018 N ARG A 70 14.419 -10.251 0.608 1.00 0.00 N ATOM 1019 CA ARG A 70 13.091 -10.707 0.216 1.00 0.00 C ATOM 1020 C ARG A 70 13.179 -11.736 -0.908 1.00 0.00 C ATOM 1021 O ARG A 70 12.761 -12.882 -0.747 1.00 0.00 O ATOM 1022 CB ARG A 70 12.233 -9.522 -0.229 1.00 0.00 C ATOM 1023 CG ARG A 70 12.080 -8.447 0.835 1.00 0.00 C ATOM 1024 CD ARG A 70 11.837 -7.080 0.214 1.00 0.00 C ATOM 1025 NE ARG A 70 13.001 -6.599 -0.524 1.00 0.00 N ATOM 1026 CZ ARG A 70 12.931 -5.716 -1.514 1.00 0.00 C ATOM 1027 NH1 ARG A 70 11.758 -5.220 -1.882 1.00 0.00 N ATOM 1028 NH2 ARG A 70 14.036 -5.327 -2.137 1.00 0.00 N ATOM 0 H ARG A 70 14.702 -9.365 0.188 1.00 0.00 H new ATOM 0 HA ARG A 70 12.626 -11.179 1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.676 -9.078 -1.121 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.245 -9.885 -0.511 1.00 0.00 H new ATOM 0 HG2 ARG A 70 11.250 -8.701 1.494 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.978 -8.413 1.452 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.980 -7.134 -0.457 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.584 -6.366 0.998 1.00 0.00 H new ATOM 0 HE ARG A 70 13.919 -6.961 -0.265 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.907 -5.516 -1.405 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.707 -4.542 -2.642 1.00 0.00 H new ATOM 0 HH21 ARG A 70 14.940 -5.706 -1.856 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.981 -4.649 -2.897 1.00 0.00 H new ATOM 1042 N ARG A 71 13.725 -11.317 -2.045 1.00 0.00 N ATOM 1043 CA ARG A 71 13.867 -12.201 -3.195 1.00 0.00 C ATOM 1044 C ARG A 71 14.820 -11.603 -4.226 1.00 0.00 C ATOM 1045 O ARG A 71 14.729 -10.421 -4.559 1.00 0.00 O ATOM 1046 CB ARG A 71 12.502 -12.460 -3.837 1.00 0.00 C ATOM 1047 CG ARG A 71 12.531 -13.528 -4.917 1.00 0.00 C ATOM 1048 CD ARG A 71 11.150 -13.754 -5.514 1.00 0.00 C ATOM 1049 NE ARG A 71 11.221 -14.299 -6.867 1.00 0.00 N ATOM 1050 CZ ARG A 71 10.235 -14.984 -7.436 1.00 0.00 C ATOM 1051 NH1 ARG A 71 9.109 -15.207 -6.772 1.00 0.00 N ATOM 1052 NH2 ARG A 71 10.374 -15.447 -8.671 1.00 0.00 N ATOM 0 H ARG A 71 14.076 -10.371 -2.194 1.00 0.00 H new ATOM 0 HA ARG A 71 14.283 -13.146 -2.846 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.796 -12.758 -3.062 1.00 0.00 H new ATOM 0 HB3 ARG A 71 12.130 -11.530 -4.267 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.225 -13.233 -5.704 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.904 -14.462 -4.497 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.587 -14.437 -4.877 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.604 -12.811 -5.531 1.00 0.00 H new ATOM 0 HE ARG A 71 12.074 -14.145 -7.405 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.998 -14.852 -5.822 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.354 -15.733 -7.211 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.239 -15.277 -9.185 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.616 -15.973 -9.107 1.00 0.00 H new ATOM 1066 N TYR A 72 15.733 -12.427 -4.728 1.00 0.00 N ATOM 1067 CA TYR A 72 16.705 -11.980 -5.718 1.00 0.00 C ATOM 1068 C TYR A 72 16.080 -10.973 -6.679 1.00 0.00 C ATOM 1069 O TYR A 72 14.871 -10.990 -6.915 1.00 0.00 O ATOM 1070 CB TYR A 72 17.255 -13.174 -6.500 1.00 0.00 C ATOM 1071 CG TYR A 72 16.308 -13.692 -7.559 1.00 0.00 C ATOM 1072 CD1 TYR A 72 16.254 -13.104 -8.817 1.00 0.00 C ATOM 1073 CD2 TYR A 72 15.468 -14.768 -7.302 1.00 0.00 C ATOM 1074 CE1 TYR A 72 15.390 -13.573 -9.788 1.00 0.00 C ATOM 1075 CE2 TYR A 72 14.602 -15.244 -8.267 1.00 0.00 C ATOM 1076 CZ TYR A 72 14.566 -14.644 -9.508 1.00 0.00 C ATOM 1077 OH TYR A 72 13.704 -15.115 -10.471 1.00 0.00 O ATOM 0 H TYR A 72 15.820 -13.409 -4.465 1.00 0.00 H new ATOM 0 HA TYR A 72 17.524 -11.492 -5.190 1.00 0.00 H new ATOM 0 HB2 TYR A 72 18.194 -12.886 -6.973 1.00 0.00 H new ATOM 0 HB3 TYR A 72 17.483 -13.980 -5.803 1.00 0.00 H new ATOM 0 HD1 TYR A 72 16.898 -12.266 -9.039 1.00 0.00 H new ATOM 0 HD2 TYR A 72 15.492 -15.240 -6.331 1.00 0.00 H new ATOM 0 HE1 TYR A 72 15.360 -13.104 -10.760 1.00 0.00 H new ATOM 0 HE2 TYR A 72 13.956 -16.082 -8.051 1.00 0.00 H new ATOM 0 HH TYR A 72 13.196 -15.873 -10.113 1.00 0.00 H new ATOM 1087 N LEU A 73 16.911 -10.096 -7.230 1.00 0.00 N ATOM 1088 CA LEU A 73 16.442 -9.081 -8.167 1.00 0.00 C ATOM 1089 C LEU A 73 17.575 -8.611 -9.074 1.00 0.00 C ATOM 1090 O LEU A 73 18.750 -8.806 -8.765 1.00 0.00 O ATOM 1091 CB LEU A 73 15.855 -7.890 -7.407 1.00 0.00 C ATOM 1092 CG LEU A 73 16.823 -7.130 -6.499 1.00 0.00 C ATOM 1093 CD1 LEU A 73 16.321 -5.717 -6.248 1.00 0.00 C ATOM 1094 CD2 LEU A 73 17.015 -7.871 -5.184 1.00 0.00 C ATOM 0 H LEU A 73 17.914 -10.067 -7.044 1.00 0.00 H new ATOM 0 HA LEU A 73 15.665 -9.527 -8.788 1.00 0.00 H new ATOM 0 HB2 LEU A 73 15.443 -7.189 -8.133 1.00 0.00 H new ATOM 0 HB3 LEU A 73 15.023 -8.246 -6.800 1.00 0.00 H new ATOM 0 HG LEU A 73 17.788 -7.067 -7.001 1.00 0.00 H new ATOM 0 HD11 LEU A 73 17.022 -5.191 -5.600 1.00 0.00 H new ATOM 0 HD12 LEU A 73 16.236 -5.187 -7.197 1.00 0.00 H new ATOM 0 HD13 LEU A 73 15.344 -5.758 -5.767 1.00 0.00 H new ATOM 0 HD21 LEU A 73 17.707 -7.315 -4.551 1.00 0.00 H new ATOM 0 HD22 LEU A 73 16.055 -7.966 -4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 73 17.421 -8.863 -5.381 1.00 0.00 H new ATOM 1106 N GLU A 74 17.213 -7.990 -10.192 1.00 0.00 N ATOM 1107 CA GLU A 74 18.200 -7.492 -11.142 1.00 0.00 C ATOM 1108 C GLU A 74 17.792 -6.124 -11.683 1.00 0.00 C ATOM 1109 O GLU A 74 16.608 -5.797 -11.741 1.00 0.00 O ATOM 1110 CB GLU A 74 18.371 -8.479 -12.299 1.00 0.00 C ATOM 1111 CG GLU A 74 19.699 -8.342 -13.025 1.00 0.00 C ATOM 1112 CD GLU A 74 19.793 -9.241 -14.242 1.00 0.00 C ATOM 1113 OE1 GLU A 74 19.187 -8.902 -15.280 1.00 0.00 O ATOM 1114 OE2 GLU A 74 20.475 -10.284 -14.157 1.00 0.00 O ATOM 0 H GLU A 74 16.244 -7.820 -10.462 1.00 0.00 H new ATOM 0 HA GLU A 74 19.150 -7.389 -10.618 1.00 0.00 H new ATOM 0 HB2 GLU A 74 18.280 -9.495 -11.915 1.00 0.00 H new ATOM 0 HB3 GLU A 74 17.560 -8.334 -13.012 1.00 0.00 H new ATOM 0 HG2 GLU A 74 19.836 -7.305 -13.332 1.00 0.00 H new ATOM 0 HG3 GLU A 74 20.511 -8.581 -12.338 1.00 0.00 H new ATOM 1121 N GLU A 75 18.783 -5.331 -12.078 1.00 0.00 N ATOM 1122 CA GLU A 75 18.528 -3.999 -12.612 1.00 0.00 C ATOM 1123 C GLU A 75 18.781 -3.958 -14.116 1.00 0.00 C ATOM 1124 O GLU A 75 19.770 -4.505 -14.605 1.00 0.00 O ATOM 1125 CB GLU A 75 19.409 -2.965 -11.907 1.00 0.00 C ATOM 1126 CG GLU A 75 20.881 -3.074 -12.266 1.00 0.00 C ATOM 1127 CD GLU A 75 21.756 -2.171 -11.419 1.00 0.00 C ATOM 1128 OE1 GLU A 75 21.409 -0.981 -11.265 1.00 0.00 O ATOM 1129 OE2 GLU A 75 22.789 -2.654 -10.910 1.00 0.00 O ATOM 0 H GLU A 75 19.769 -5.588 -12.038 1.00 0.00 H new ATOM 0 HA GLU A 75 17.481 -3.757 -12.431 1.00 0.00 H new ATOM 0 HB2 GLU A 75 19.055 -1.966 -12.160 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.297 -3.079 -10.829 1.00 0.00 H new ATOM 0 HG2 GLU A 75 21.206 -4.107 -12.143 1.00 0.00 H new ATOM 0 HG3 GLU A 75 21.014 -2.821 -13.318 1.00 0.00 H new ATOM 1136 N ALA A 76 17.881 -3.306 -14.845 1.00 0.00 N ATOM 1137 CA ALA A 76 18.007 -3.193 -16.292 1.00 0.00 C ATOM 1138 C ALA A 76 16.928 -2.282 -16.868 1.00 0.00 C ATOM 1139 O ALA A 76 16.135 -1.699 -16.128 1.00 0.00 O ATOM 1140 CB ALA A 76 17.938 -4.569 -16.938 1.00 0.00 C ATOM 0 H ALA A 76 17.057 -2.848 -14.456 1.00 0.00 H new ATOM 0 HA ALA A 76 18.977 -2.748 -16.513 1.00 0.00 H new ATOM 0 HB1 ALA A 76 18.034 -4.469 -18.019 1.00 0.00 H new ATOM 0 HB2 ALA A 76 18.749 -5.190 -16.558 1.00 0.00 H new ATOM 0 HB3 ALA A 76 16.982 -5.035 -16.700 1.00 0.00 H new ATOM 1146 N ASN A 77 16.903 -2.164 -18.191 1.00 0.00 N ATOM 1147 CA ASN A 77 15.921 -1.323 -18.865 1.00 0.00 C ATOM 1148 C ASN A 77 16.114 0.144 -18.493 1.00 0.00 C ATOM 1149 O ASN A 77 15.188 0.826 -18.052 1.00 0.00 O ATOM 1150 CB ASN A 77 14.503 -1.769 -18.505 1.00 0.00 C ATOM 1151 CG ASN A 77 13.441 -0.935 -19.195 1.00 0.00 C ATOM 1152 OD1 ASN A 77 12.790 -0.097 -18.570 1.00 0.00 O ATOM 1153 ND2 ASN A 77 13.261 -1.161 -20.491 1.00 0.00 N ATOM 0 H ASN A 77 17.552 -2.640 -18.818 1.00 0.00 H new ATOM 0 HA ASN A 77 16.066 -1.429 -19.940 1.00 0.00 H new ATOM 0 HB2 ASN A 77 14.374 -2.816 -18.780 1.00 0.00 H new ATOM 0 HB3 ASN A 77 14.368 -1.704 -17.425 1.00 0.00 H new ATOM 0 HD21 ASN A 77 12.561 -0.630 -21.009 1.00 0.00 H new ATOM 0 HD22 ASN A 77 13.823 -1.865 -20.969 1.00 0.00 H new ATOM 1160 N PRO A 78 17.346 0.643 -18.674 1.00 0.00 N ATOM 1161 CA PRO A 78 17.690 2.034 -18.364 1.00 0.00 C ATOM 1162 C PRO A 78 17.042 3.020 -19.330 1.00 0.00 C ATOM 1163 O PRO A 78 16.285 2.628 -20.219 1.00 0.00 O ATOM 1164 CB PRO A 78 19.213 2.064 -18.511 1.00 0.00 C ATOM 1165 CG PRO A 78 19.524 0.956 -19.456 1.00 0.00 C ATOM 1166 CD PRO A 78 18.498 -0.112 -19.195 1.00 0.00 C ATOM 0 HA PRO A 78 17.338 2.331 -17.376 1.00 0.00 H new ATOM 0 HB2 PRO A 78 19.554 3.023 -18.900 1.00 0.00 H new ATOM 0 HB3 PRO A 78 19.706 1.915 -17.551 1.00 0.00 H new ATOM 0 HG2 PRO A 78 19.475 1.299 -20.489 1.00 0.00 H new ATOM 0 HG3 PRO A 78 20.533 0.576 -19.293 1.00 0.00 H new ATOM 0 HD2 PRO A 78 18.244 -0.656 -20.105 1.00 0.00 H new ATOM 0 HD3 PRO A 78 18.857 -0.846 -18.474 1.00 0.00 H new ATOM 1174 N VAL A 79 17.344 4.303 -19.151 1.00 0.00 N ATOM 1175 CA VAL A 79 16.792 5.345 -20.008 1.00 0.00 C ATOM 1176 C VAL A 79 17.897 6.213 -20.599 1.00 0.00 C ATOM 1177 O VAL A 79 18.882 6.524 -19.929 1.00 0.00 O ATOM 1178 CB VAL A 79 15.806 6.242 -19.237 1.00 0.00 C ATOM 1179 CG1 VAL A 79 15.241 7.321 -20.148 1.00 0.00 C ATOM 1180 CG2 VAL A 79 14.690 5.407 -18.629 1.00 0.00 C ATOM 0 H VAL A 79 17.968 4.645 -18.420 1.00 0.00 H new ATOM 0 HA VAL A 79 16.259 4.842 -20.815 1.00 0.00 H new ATOM 0 HB VAL A 79 16.345 6.731 -18.426 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.546 7.945 -19.586 1.00 0.00 H new ATOM 0 HG12 VAL A 79 16.055 7.937 -20.530 1.00 0.00 H new ATOM 0 HG13 VAL A 79 14.716 6.855 -20.982 1.00 0.00 H new ATOM 0 HG21 VAL A 79 14.003 6.057 -18.088 1.00 0.00 H new ATOM 0 HG22 VAL A 79 14.151 4.888 -19.421 1.00 0.00 H new ATOM 0 HG23 VAL A 79 15.116 4.676 -17.941 1.00 0.00 H new ATOM 1190 N SER A 80 17.727 6.602 -21.859 1.00 0.00 N ATOM 1191 CA SER A 80 18.713 7.432 -22.542 1.00 0.00 C ATOM 1192 C SER A 80 18.167 8.836 -22.783 1.00 0.00 C ATOM 1193 O SER A 80 17.008 9.123 -22.486 1.00 0.00 O ATOM 1194 CB SER A 80 19.114 6.793 -23.873 1.00 0.00 C ATOM 1195 OG SER A 80 20.424 7.180 -24.250 1.00 0.00 O ATOM 0 H SER A 80 16.916 6.356 -22.427 1.00 0.00 H new ATOM 0 HA SER A 80 19.593 7.508 -21.904 1.00 0.00 H new ATOM 0 HB2 SER A 80 19.062 5.707 -23.789 1.00 0.00 H new ATOM 0 HB3 SER A 80 18.407 7.087 -24.649 1.00 0.00 H new ATOM 0 HG SER A 80 20.657 6.757 -25.103 1.00 0.00 H new ATOM 1201 N GLY A 81 19.012 9.708 -23.324 1.00 0.00 N ATOM 1202 CA GLY A 81 18.597 11.072 -23.595 1.00 0.00 C ATOM 1203 C GLY A 81 18.921 11.506 -25.011 1.00 0.00 C ATOM 1204 O GLY A 81 20.060 11.406 -25.468 1.00 0.00 O ATOM 0 H GLY A 81 19.976 9.494 -23.579 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.524 11.162 -23.427 1.00 0.00 H new ATOM 0 HA3 GLY A 81 19.087 11.744 -22.891 1.00 0.00 H new ATOM 1208 N PRO A 82 17.903 11.998 -25.732 1.00 0.00 N ATOM 1209 CA PRO A 82 18.060 12.456 -27.115 1.00 0.00 C ATOM 1210 C PRO A 82 18.877 13.741 -27.210 1.00 0.00 C ATOM 1211 O PRO A 82 19.450 14.198 -26.222 1.00 0.00 O ATOM 1212 CB PRO A 82 16.621 12.703 -27.573 1.00 0.00 C ATOM 1213 CG PRO A 82 15.866 12.978 -26.319 1.00 0.00 C ATOM 1214 CD PRO A 82 16.518 12.145 -25.251 1.00 0.00 C ATOM 0 HA PRO A 82 18.597 11.731 -27.726 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.564 13.546 -28.262 1.00 0.00 H new ATOM 0 HB3 PRO A 82 16.218 11.836 -28.096 1.00 0.00 H new ATOM 0 HG2 PRO A 82 15.904 14.037 -26.065 1.00 0.00 H new ATOM 0 HG3 PRO A 82 14.814 12.715 -26.431 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.480 12.636 -24.279 1.00 0.00 H new ATOM 0 HD3 PRO A 82 16.027 11.179 -25.139 1.00 0.00 H new ATOM 1222 N SER A 83 18.925 14.319 -28.406 1.00 0.00 N ATOM 1223 CA SER A 83 19.674 15.549 -28.631 1.00 0.00 C ATOM 1224 C SER A 83 19.360 16.133 -30.005 1.00 0.00 C ATOM 1225 O SER A 83 18.620 15.540 -30.790 1.00 0.00 O ATOM 1226 CB SER A 83 21.176 15.286 -28.508 1.00 0.00 C ATOM 1227 OG SER A 83 21.874 16.470 -28.161 1.00 0.00 O ATOM 0 H SER A 83 18.454 13.955 -29.234 1.00 0.00 H new ATOM 0 HA SER A 83 19.375 16.271 -27.871 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.354 14.521 -27.753 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.559 14.898 -29.452 1.00 0.00 H new ATOM 0 HG SER A 83 22.832 16.275 -28.087 1.00 0.00 H new ATOM 1233 N SER A 84 19.928 17.301 -30.289 1.00 0.00 N ATOM 1234 CA SER A 84 19.706 17.969 -31.566 1.00 0.00 C ATOM 1235 C SER A 84 20.878 17.732 -32.514 1.00 0.00 C ATOM 1236 O SER A 84 21.861 17.087 -32.154 1.00 0.00 O ATOM 1237 CB SER A 84 19.503 19.470 -31.352 1.00 0.00 C ATOM 1238 OG SER A 84 18.135 19.776 -31.147 1.00 0.00 O ATOM 0 H SER A 84 20.545 17.804 -29.652 1.00 0.00 H new ATOM 0 HA SER A 84 18.807 17.549 -32.016 1.00 0.00 H new ATOM 0 HB2 SER A 84 20.085 19.800 -30.492 1.00 0.00 H new ATOM 0 HB3 SER A 84 19.875 20.017 -32.218 1.00 0.00 H new ATOM 0 HG SER A 84 18.032 20.741 -31.011 1.00 0.00 H new ATOM 1244 N GLY A 85 20.764 18.261 -33.729 1.00 0.00 N ATOM 1245 CA GLY A 85 21.821 18.097 -34.710 1.00 0.00 C ATOM 1246 C GLY A 85 21.584 18.921 -35.960 1.00 0.00 C ATOM 1247 O GLY A 85 20.573 19.618 -36.035 1.00 0.00 O ATOM 0 H GLY A 85 19.960 18.799 -34.051 1.00 0.00 H new ATOM 0 HA2 GLY A 85 22.774 18.384 -34.265 1.00 0.00 H new ATOM 0 HA3 GLY A 85 21.900 17.044 -34.982 1.00 0.00 H new TER 1251 GLY A 85 HETATM 1252 ZN ZN A 201 0.437 0.764 -11.608 1.00 0.00 ZN HETATM 1253 ZN ZN A 401 8.191 0.857 -2.640 1.00 0.00 ZN