USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 888 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 Set 1.1: A 25 MET CE :methyl -167:sc= -2.2 (180deg=-1.6) USER MOD Set 1.2: A 28 GLN : amide:sc= -6.2! C(o=-32!,f=-23!) USER MOD Set 1.3: A 35 GLN : amide:sc= -11.8! C(o=-32!,f=-22!) USER MOD Set 1.4: A 73 GLN : amide:sc= -0.527 K(o=-32,f=-24) USER MOD Set 1.5: A 83 GLN : amide:sc= -4.91! K(o=-32!,f=-23) USER MOD Set 1.6: A 84 MET CE :methyl -111:sc= -0.246 (180deg=-0.832) USER MOD Set 1.7: A 87 MET CE :methyl 157:sc= -6.2! (180deg=-3.72!) USER MOD Set 2.1: A 29 MET CE :methyl -131:sc= -3.69! (180deg=-6.51!) USER MOD Set 2.2: A 78 GLN : amide:sc= -2.82 K(o=-6.5,f=-8.9!) USER MOD Set 3.1: A 11 GLN : amide:sc= -0.145 X(o=-5,f=-5.4) USER MOD Set 3.2: A 15 GLN : amide:sc= -3.9 K(o=-5,f=-18!) USER MOD Set 3.3: A 56 MET CE :methyl -170:sc= -0.945 (180deg=-0.629) USER MOD Single : A 1 GLU N :NH3+ 144:sc= -0.481 (180deg=-2.02!) USER MOD Single : A 5 GLN : amide:sc= -1.19 K(o=-1.2,f=-3.3!) USER MOD Single : A 12 MET CE :methyl -134:sc= -0.326 (180deg=-2.07!) USER MOD Single : A 13 GLN : amide:sc= -3.14! C(o=-3.1!,f=-4.2!) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 17 MET CE :methyl -128:sc= -2.75 (180deg=-7.24!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -2.23 X(o=-2.2,f=-2.6) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot -106:sc= 0.408 USER MOD Single : A 27 GLN : amide:sc= -6.44! C(o=-6.4!,f=-4.1!) USER MOD Single : A 32 SER OG : rot -97:sc= 0.0164 USER MOD Single : A 33 THR OG1 : rot 77:sc= 0.903 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 41:sc= 0.392 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -158:sc= -0.421 (180deg=-2.05!) USER MOD Single : A 45 HIS : no HD1:sc= -0.394 K(o=-0.39,f=-4.6!) USER MOD Single : A 46 MET CE :methyl 152:sc= -0.0237 (180deg=-1.26) USER MOD Single : A 47 SER OG : rot 80:sc= 0.157 USER MOD Single : A 52 GLN : amide:sc= -2.06 X(o=-2.1,f=-1.6) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -169:sc= -1.34 (180deg=-1.62!) USER MOD Single : A 68 MET CE :methyl 163:sc= -1.73 (180deg=-2.76) USER MOD Single : A 69 MET CE :methyl 129:sc= -0.0944 (180deg=-0.757) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -154:sc= -4.04! (180deg=-5.19!) USER MOD Single : A 74 GLN : amide:sc= -4.79! K(o=-4.8!,f=-1.5) USER MOD Single : A 75 LYS NZ :NH3+ -154:sc= -0.0369 (180deg=-0.495) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 157:sc= -0.827 (180deg=-2.03!) USER MOD Single : A 93 ASN : amide:sc= -0.581 K(o=-0.58,f=-1.9) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -4.87! C(o=-4.9!,f=-6.5!) USER MOD Single : A 101 SER OG : rot 47:sc= 0.408 USER MOD Single : A 103 MET CE :methyl -154:sc= -0.136 (180deg=-0.978) USER MOD Single : A 107 MET CE :methyl -141:sc= -7.14 (180deg=-11.2!) USER MOD Single : A 110 SER OG : rot 93:sc= 0.231 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.056 43.899 -6.264 1.00 0.00 N ATOM 2 CA GLU A 1 0.831 43.170 -6.698 1.00 0.00 C ATOM 3 C GLU A 1 0.183 43.925 -7.856 1.00 0.00 C ATOM 4 O GLU A 1 -0.028 45.136 -7.776 1.00 0.00 O ATOM 5 CB GLU A 1 -0.144 43.073 -5.519 1.00 0.00 C ATOM 6 CG GLU A 1 -1.337 42.188 -5.903 1.00 0.00 C ATOM 7 CD GLU A 1 -2.373 42.180 -4.779 1.00 0.00 C ATOM 8 OE1 GLU A 1 -2.700 43.249 -4.290 1.00 0.00 O ATOM 9 OE2 GLU A 1 -2.822 41.103 -4.424 1.00 0.00 O ATOM 0 H1 GLU A 1 2.157 43.824 -5.232 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.890 43.482 -6.725 1.00 0.00 H new ATOM 0 H3 GLU A 1 1.977 44.901 -6.532 1.00 0.00 H new ATOM 0 HA GLU A 1 1.091 42.164 -7.028 1.00 0.00 H new ATOM 0 HB2 GLU A 1 0.364 42.657 -4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -0.492 44.068 -5.240 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -1.791 42.556 -6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -0.996 41.172 -6.100 1.00 0.00 H new ATOM 18 N ALA A 2 -0.128 43.203 -8.930 1.00 0.00 N ATOM 19 CA ALA A 2 -0.750 43.818 -10.101 1.00 0.00 C ATOM 20 C ALA A 2 -2.140 44.346 -9.760 1.00 0.00 C ATOM 21 O ALA A 2 -2.895 43.706 -9.028 1.00 0.00 O ATOM 22 CB ALA A 2 -0.856 42.794 -11.234 1.00 0.00 C ATOM 0 H ALA A 2 0.038 42.200 -9.014 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.127 44.653 -10.421 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.321 43.260 -12.103 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.140 42.442 -11.500 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.464 41.950 -10.906 1.00 0.00 H new ATOM 28 N GLU A 3 -2.469 45.518 -10.296 1.00 0.00 N ATOM 29 CA GLU A 3 -3.771 46.132 -10.048 1.00 0.00 C ATOM 30 C GLU A 3 -4.900 45.263 -10.600 1.00 0.00 C ATOM 31 O GLU A 3 -6.022 45.296 -10.093 1.00 0.00 O ATOM 32 CB GLU A 3 -3.830 47.527 -10.687 1.00 0.00 C ATOM 33 CG GLU A 3 -3.884 47.416 -12.218 1.00 0.00 C ATOM 34 CD GLU A 3 -2.633 46.718 -12.752 1.00 0.00 C ATOM 35 OE1 GLU A 3 -1.546 47.202 -12.482 1.00 0.00 O ATOM 36 OE2 GLU A 3 -2.781 45.708 -13.420 1.00 0.00 O ATOM 0 H GLU A 3 -1.855 46.061 -10.903 1.00 0.00 H new ATOM 0 HA GLU A 3 -3.901 46.224 -8.970 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.707 48.063 -10.324 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -2.957 48.107 -10.389 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.773 46.860 -12.516 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -3.968 48.410 -12.657 1.00 0.00 H new ATOM 43 N ALA A 4 -4.595 44.492 -11.642 1.00 0.00 N ATOM 44 CA ALA A 4 -5.592 43.622 -12.260 1.00 0.00 C ATOM 45 C ALA A 4 -5.995 42.504 -11.312 1.00 0.00 C ATOM 46 O ALA A 4 -6.962 41.783 -11.559 1.00 0.00 O ATOM 47 CB ALA A 4 -5.046 43.032 -13.561 1.00 0.00 C ATOM 0 H ALA A 4 -3.672 44.452 -12.073 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.475 44.221 -12.483 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.799 42.385 -14.012 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -4.800 43.839 -14.252 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.149 42.451 -13.349 1.00 0.00 H new ATOM 53 N GLN A 5 -5.253 42.381 -10.225 1.00 0.00 N ATOM 54 CA GLN A 5 -5.529 41.367 -9.220 1.00 0.00 C ATOM 55 C GLN A 5 -6.993 41.429 -8.784 1.00 0.00 C ATOM 56 O GLN A 5 -7.608 40.403 -8.496 1.00 0.00 O ATOM 57 CB GLN A 5 -4.628 41.615 -8.017 1.00 0.00 C ATOM 58 CG GLN A 5 -4.988 40.653 -6.880 1.00 0.00 C ATOM 59 CD GLN A 5 -5.856 41.364 -5.846 1.00 0.00 C ATOM 60 OE1 GLN A 5 -5.385 42.264 -5.151 1.00 0.00 O ATOM 61 NE2 GLN A 5 -7.105 41.012 -5.703 1.00 0.00 N ATOM 0 H GLN A 5 -4.450 42.974 -10.015 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.336 40.380 -9.640 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.584 41.480 -8.301 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.736 42.646 -7.679 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.519 39.789 -7.279 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.079 40.279 -6.408 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.494 40.266 -6.280 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.692 41.483 -5.015 1.00 0.00 H new ATOM 70 N GLU A 6 -7.535 42.644 -8.731 1.00 0.00 N ATOM 71 CA GLU A 6 -8.923 42.843 -8.320 1.00 0.00 C ATOM 72 C GLU A 6 -9.870 41.945 -9.117 1.00 0.00 C ATOM 73 O GLU A 6 -10.821 41.394 -8.561 1.00 0.00 O ATOM 74 CB GLU A 6 -9.310 44.314 -8.512 1.00 0.00 C ATOM 75 CG GLU A 6 -9.336 44.657 -10.006 1.00 0.00 C ATOM 76 CD GLU A 6 -9.496 46.163 -10.193 1.00 0.00 C ATOM 77 OE1 GLU A 6 -10.595 46.653 -9.990 1.00 0.00 O ATOM 78 OE2 GLU A 6 -8.518 46.805 -10.538 1.00 0.00 O ATOM 0 H GLU A 6 -7.037 43.502 -8.966 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.012 42.575 -7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.288 44.502 -8.070 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.598 44.957 -7.995 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.415 44.319 -10.481 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.158 44.132 -10.494 1.00 0.00 H new ATOM 85 N GLU A 7 -9.597 41.788 -10.413 1.00 0.00 N ATOM 86 CA GLU A 7 -10.423 40.937 -11.259 1.00 0.00 C ATOM 87 C GLU A 7 -10.494 39.543 -10.665 1.00 0.00 C ATOM 88 O GLU A 7 -11.543 38.900 -10.673 1.00 0.00 O ATOM 89 CB GLU A 7 -9.834 40.861 -12.674 1.00 0.00 C ATOM 90 CG GLU A 7 -10.541 39.759 -13.478 1.00 0.00 C ATOM 91 CD GLU A 7 -9.765 38.448 -13.368 1.00 0.00 C ATOM 92 OE1 GLU A 7 -8.622 38.421 -13.793 1.00 0.00 O ATOM 93 OE2 GLU A 7 -10.328 37.488 -12.866 1.00 0.00 O ATOM 0 H GLU A 7 -8.817 42.236 -10.893 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.425 41.363 -11.315 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.950 41.821 -13.177 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.765 40.655 -12.621 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.556 39.622 -13.106 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.622 40.056 -14.524 1.00 0.00 H new ATOM 100 N CYS A 8 -9.356 39.085 -10.157 1.00 0.00 N ATOM 101 CA CYS A 8 -9.273 37.764 -9.568 1.00 0.00 C ATOM 102 C CYS A 8 -10.132 37.671 -8.311 1.00 0.00 C ATOM 103 O CYS A 8 -10.954 36.765 -8.180 1.00 0.00 O ATOM 104 CB CYS A 8 -7.818 37.442 -9.228 1.00 0.00 C ATOM 105 SG CYS A 8 -6.790 37.713 -10.692 1.00 0.00 S ATOM 0 H CYS A 8 -8.482 39.611 -10.143 1.00 0.00 H new ATOM 0 HA CYS A 8 -9.648 37.040 -10.292 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.476 38.072 -8.407 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.730 36.408 -8.894 1.00 0.00 H new ATOM 110 N ARG A 9 -9.938 38.618 -7.394 1.00 0.00 N ATOM 111 CA ARG A 9 -10.705 38.633 -6.153 1.00 0.00 C ATOM 112 C ARG A 9 -12.203 38.680 -6.448 1.00 0.00 C ATOM 113 O ARG A 9 -12.979 37.905 -5.890 1.00 0.00 O ATOM 114 CB ARG A 9 -10.307 39.850 -5.313 1.00 0.00 C ATOM 115 CG ARG A 9 -11.020 39.800 -3.957 1.00 0.00 C ATOM 116 CD ARG A 9 -10.678 41.057 -3.152 1.00 0.00 C ATOM 117 NE ARG A 9 -11.267 40.980 -1.816 1.00 0.00 N ATOM 118 CZ ARG A 9 -10.617 40.415 -0.800 1.00 0.00 C ATOM 119 NH1 ARG A 9 -9.424 39.915 -0.976 1.00 0.00 N ATOM 120 NH2 ARG A 9 -11.174 40.364 0.378 1.00 0.00 N ATOM 0 H ARG A 9 -9.263 39.377 -7.487 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.487 37.720 -5.599 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.227 39.865 -5.166 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.570 40.768 -5.839 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.098 39.731 -4.104 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -10.716 38.909 -3.407 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.596 41.164 -3.074 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.049 41.941 -3.670 1.00 0.00 H new ATOM 0 HE ARG A 9 -12.197 41.368 -1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.985 39.956 -1.896 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.931 39.484 -0.194 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.105 40.756 0.519 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.679 39.932 1.158 1.00 0.00 H new ATOM 134 N GLU A 10 -12.597 39.594 -7.333 1.00 0.00 N ATOM 135 CA GLU A 10 -14.003 39.740 -7.704 1.00 0.00 C ATOM 136 C GLU A 10 -14.526 38.460 -8.352 1.00 0.00 C ATOM 137 O GLU A 10 -15.561 37.925 -7.955 1.00 0.00 O ATOM 138 CB GLU A 10 -14.161 40.912 -8.677 1.00 0.00 C ATOM 139 CG GLU A 10 -15.647 41.151 -8.962 1.00 0.00 C ATOM 140 CD GLU A 10 -15.807 42.242 -10.017 1.00 0.00 C ATOM 141 OE1 GLU A 10 -15.536 43.389 -9.701 1.00 0.00 O ATOM 142 OE2 GLU A 10 -16.198 41.915 -11.126 1.00 0.00 O ATOM 0 H GLU A 10 -11.966 40.242 -7.804 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.582 39.934 -6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.713 41.811 -8.254 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.632 40.699 -9.606 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.112 40.228 -9.308 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -16.159 41.442 -8.045 1.00 0.00 H new ATOM 149 N GLN A 11 -13.796 37.983 -9.357 1.00 0.00 N ATOM 150 CA GLN A 11 -14.174 36.770 -10.076 1.00 0.00 C ATOM 151 C GLN A 11 -14.271 35.576 -9.126 1.00 0.00 C ATOM 152 O GLN A 11 -15.099 34.685 -9.320 1.00 0.00 O ATOM 153 CB GLN A 11 -13.142 36.477 -11.170 1.00 0.00 C ATOM 154 CG GLN A 11 -13.686 35.415 -12.130 1.00 0.00 C ATOM 155 CD GLN A 11 -12.585 34.964 -13.087 1.00 0.00 C ATOM 156 OE1 GLN A 11 -12.238 35.686 -14.022 1.00 0.00 O ATOM 157 NE2 GLN A 11 -12.011 33.805 -12.907 1.00 0.00 N ATOM 0 H GLN A 11 -12.937 38.419 -9.692 1.00 0.00 H new ATOM 0 HA GLN A 11 -15.154 36.929 -10.527 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -12.911 37.391 -11.718 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.211 36.131 -10.721 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.061 34.561 -11.566 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -14.527 35.819 -12.694 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -12.299 33.208 -12.132 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.274 33.497 -13.541 1.00 0.00 H new ATOM 166 N MET A 12 -13.405 35.557 -8.115 1.00 0.00 N ATOM 167 CA MET A 12 -13.377 34.458 -7.150 1.00 0.00 C ATOM 168 C MET A 12 -14.772 34.133 -6.616 1.00 0.00 C ATOM 169 O MET A 12 -15.081 32.968 -6.365 1.00 0.00 O ATOM 170 CB MET A 12 -12.450 34.798 -5.981 1.00 0.00 C ATOM 171 CG MET A 12 -12.222 33.541 -5.135 1.00 0.00 C ATOM 172 SD MET A 12 -11.223 33.957 -3.686 1.00 0.00 S ATOM 173 CE MET A 12 -10.979 32.268 -3.081 1.00 0.00 C ATOM 0 H MET A 12 -12.715 36.288 -7.942 1.00 0.00 H new ATOM 0 HA MET A 12 -13.001 33.579 -7.674 1.00 0.00 H new ATOM 0 HB2 MET A 12 -11.499 35.177 -6.354 1.00 0.00 H new ATOM 0 HB3 MET A 12 -12.890 35.587 -5.370 1.00 0.00 H new ATOM 0 HG2 MET A 12 -13.179 33.123 -4.822 1.00 0.00 H new ATOM 0 HG3 MET A 12 -11.719 32.777 -5.729 1.00 0.00 H new ATOM 0 HE1 MET A 12 -11.159 32.237 -2.006 1.00 0.00 H new ATOM 0 HE2 MET A 12 -11.674 31.597 -3.585 1.00 0.00 H new ATOM 0 HE3 MET A 12 -9.956 31.952 -3.287 1.00 0.00 H new ATOM 183 N GLN A 13 -15.611 35.153 -6.436 1.00 0.00 N ATOM 184 CA GLN A 13 -16.961 34.916 -5.925 1.00 0.00 C ATOM 185 C GLN A 13 -17.681 33.904 -6.804 1.00 0.00 C ATOM 186 O GLN A 13 -18.302 32.969 -6.304 1.00 0.00 O ATOM 187 CB GLN A 13 -17.764 36.222 -5.886 1.00 0.00 C ATOM 188 CG GLN A 13 -17.356 37.058 -4.666 1.00 0.00 C ATOM 189 CD GLN A 13 -15.871 37.408 -4.724 1.00 0.00 C ATOM 190 OE1 GLN A 13 -15.026 36.603 -4.334 1.00 0.00 O ATOM 191 NE2 GLN A 13 -15.504 38.571 -5.185 1.00 0.00 N ATOM 0 H GLN A 13 -15.388 36.129 -6.631 1.00 0.00 H new ATOM 0 HA GLN A 13 -16.878 34.524 -4.911 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -17.592 36.791 -6.800 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -18.830 36.001 -5.844 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -17.949 37.972 -4.630 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -17.569 36.504 -3.752 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -16.206 39.236 -5.508 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.514 38.815 -5.223 1.00 0.00 H new ATOM 200 N ARG A 14 -17.553 34.075 -8.118 1.00 0.00 N ATOM 201 CA ARG A 14 -18.149 33.153 -9.064 1.00 0.00 C ATOM 202 C ARG A 14 -17.587 31.777 -8.795 1.00 0.00 C ATOM 203 O ARG A 14 -18.305 30.777 -8.803 1.00 0.00 O ATOM 204 CB ARG A 14 -17.832 33.585 -10.501 1.00 0.00 C ATOM 205 CG ARG A 14 -18.519 32.643 -11.498 1.00 0.00 C ATOM 206 CD ARG A 14 -20.027 32.907 -11.512 1.00 0.00 C ATOM 207 NE ARG A 14 -20.691 31.983 -12.426 1.00 0.00 N ATOM 208 CZ ARG A 14 -22.017 31.960 -12.545 1.00 0.00 C ATOM 209 NH1 ARG A 14 -22.756 32.771 -11.837 1.00 0.00 N ATOM 210 NH2 ARG A 14 -22.580 31.122 -13.372 1.00 0.00 N ATOM 0 H ARG A 14 -17.040 34.846 -8.546 1.00 0.00 H new ATOM 0 HA ARG A 14 -19.233 33.145 -8.948 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -18.169 34.609 -10.664 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -16.754 33.575 -10.663 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -18.106 32.792 -12.496 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -18.325 31.606 -11.224 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -20.433 32.791 -10.507 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -20.221 33.935 -11.818 1.00 0.00 H new ATOM 0 HE ARG A 14 -20.128 31.342 -12.985 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -22.318 33.426 -11.189 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -23.771 32.750 -11.932 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -22.004 30.487 -13.925 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -23.596 31.102 -13.465 1.00 0.00 H new ATOM 224 N GLN A 15 -16.280 31.749 -8.533 1.00 0.00 N ATOM 225 CA GLN A 15 -15.607 30.512 -8.233 1.00 0.00 C ATOM 226 C GLN A 15 -15.958 30.083 -6.817 1.00 0.00 C ATOM 227 O GLN A 15 -15.160 30.223 -5.888 1.00 0.00 O ATOM 228 CB GLN A 15 -14.093 30.696 -8.377 1.00 0.00 C ATOM 229 CG GLN A 15 -13.709 30.664 -9.860 1.00 0.00 C ATOM 230 CD GLN A 15 -13.936 32.032 -10.491 1.00 0.00 C ATOM 231 OE1 GLN A 15 -13.218 32.983 -10.187 1.00 0.00 O ATOM 232 NE2 GLN A 15 -14.899 32.187 -11.359 1.00 0.00 N ATOM 0 H GLN A 15 -15.679 32.573 -8.526 1.00 0.00 H new ATOM 0 HA GLN A 15 -15.929 29.739 -8.931 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.788 31.643 -7.933 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.568 29.907 -7.838 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.663 30.375 -9.966 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.302 29.912 -10.381 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -15.493 31.396 -11.609 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -15.058 33.099 -11.787 1.00 0.00 H new ATOM 241 N GLN A 16 -17.166 29.565 -6.672 1.00 0.00 N ATOM 242 CA GLN A 16 -17.657 29.107 -5.376 1.00 0.00 C ATOM 243 C GLN A 16 -17.172 27.687 -5.095 1.00 0.00 C ATOM 244 O GLN A 16 -17.891 26.872 -4.513 1.00 0.00 O ATOM 245 CB GLN A 16 -19.185 29.165 -5.356 1.00 0.00 C ATOM 246 CG GLN A 16 -19.624 30.614 -5.573 1.00 0.00 C ATOM 247 CD GLN A 16 -21.143 30.740 -5.531 1.00 0.00 C ATOM 248 OE1 GLN A 16 -21.856 29.736 -5.541 1.00 0.00 O ATOM 249 NE2 GLN A 16 -21.681 31.929 -5.489 1.00 0.00 N ATOM 0 H GLN A 16 -17.830 29.449 -7.437 1.00 0.00 H new ATOM 0 HA GLN A 16 -17.267 29.761 -4.596 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -19.598 28.524 -6.135 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -19.565 28.794 -4.404 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -19.182 31.250 -4.806 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -19.253 30.969 -6.534 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -21.086 32.758 -5.481 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -22.696 32.029 -5.464 1.00 0.00 H new ATOM 258 N MET A 17 -15.946 27.404 -5.524 1.00 0.00 N ATOM 259 CA MET A 17 -15.353 26.082 -5.327 1.00 0.00 C ATOM 260 C MET A 17 -15.127 25.782 -3.847 1.00 0.00 C ATOM 261 O MET A 17 -15.016 24.621 -3.456 1.00 0.00 O ATOM 262 CB MET A 17 -14.027 25.981 -6.091 1.00 0.00 C ATOM 263 CG MET A 17 -12.839 26.147 -5.134 1.00 0.00 C ATOM 264 SD MET A 17 -11.417 26.779 -6.052 1.00 0.00 S ATOM 265 CE MET A 17 -12.060 28.450 -6.308 1.00 0.00 C ATOM 0 H MET A 17 -15.344 28.069 -6.009 1.00 0.00 H new ATOM 0 HA MET A 17 -16.053 25.342 -5.715 1.00 0.00 H new ATOM 0 HB2 MET A 17 -13.964 25.016 -6.594 1.00 0.00 H new ATOM 0 HB3 MET A 17 -13.988 26.748 -6.865 1.00 0.00 H new ATOM 0 HG2 MET A 17 -13.100 26.833 -4.328 1.00 0.00 H new ATOM 0 HG3 MET A 17 -12.593 25.191 -4.672 1.00 0.00 H new ATOM 0 HE1 MET A 17 -12.004 28.703 -7.367 1.00 0.00 H new ATOM 0 HE2 MET A 17 -13.098 28.495 -5.978 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.466 29.161 -5.733 1.00 0.00 H new ATOM 275 N LEU A 18 -15.040 26.832 -3.034 1.00 0.00 N ATOM 276 CA LEU A 18 -14.801 26.656 -1.604 1.00 0.00 C ATOM 277 C LEU A 18 -15.902 25.802 -0.965 1.00 0.00 C ATOM 278 O LEU A 18 -15.666 25.143 0.046 1.00 0.00 O ATOM 279 CB LEU A 18 -14.706 28.012 -0.884 1.00 0.00 C ATOM 280 CG LEU A 18 -15.547 29.070 -1.606 1.00 0.00 C ATOM 281 CD1 LEU A 18 -16.961 28.536 -1.818 1.00 0.00 C ATOM 282 CD2 LEU A 18 -15.605 30.342 -0.754 1.00 0.00 C ATOM 0 H LEU A 18 -15.130 27.802 -3.336 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.848 26.139 -1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -15.050 27.908 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.666 28.334 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 18 -15.096 29.298 -2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.561 29.288 -2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -16.921 27.629 -2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -17.413 28.309 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -16.203 31.096 -1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -16.058 30.113 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -14.595 30.723 -0.600 1.00 0.00 H new ATOM 294 N SER A 19 -17.097 25.807 -1.561 1.00 0.00 N ATOM 295 CA SER A 19 -18.206 25.013 -1.036 1.00 0.00 C ATOM 296 C SER A 19 -17.921 23.530 -1.245 1.00 0.00 C ATOM 297 O SER A 19 -17.990 22.726 -0.307 1.00 0.00 O ATOM 298 CB SER A 19 -19.506 25.393 -1.747 1.00 0.00 C ATOM 299 OG SER A 19 -19.698 26.799 -1.652 1.00 0.00 O ATOM 0 H SER A 19 -17.318 26.346 -2.398 1.00 0.00 H new ATOM 0 HA SER A 19 -18.312 25.214 0.030 1.00 0.00 H new ATOM 0 HB2 SER A 19 -19.464 25.090 -2.793 1.00 0.00 H new ATOM 0 HB3 SER A 19 -20.348 24.868 -1.296 1.00 0.00 H new ATOM 0 HG SER A 19 -20.529 27.047 -2.108 1.00 0.00 H new ATOM 305 N HIS A 20 -17.565 23.180 -2.480 1.00 0.00 N ATOM 306 CA HIS A 20 -17.231 21.802 -2.809 1.00 0.00 C ATOM 307 C HIS A 20 -15.989 21.431 -2.026 1.00 0.00 C ATOM 308 O HIS A 20 -15.841 20.310 -1.539 1.00 0.00 O ATOM 309 CB HIS A 20 -16.958 21.658 -4.312 1.00 0.00 C ATOM 310 CG HIS A 20 -17.816 22.625 -5.083 1.00 0.00 C ATOM 311 ND1 HIS A 20 -17.360 23.270 -6.221 1.00 0.00 N ATOM 312 CD2 HIS A 20 -19.093 23.085 -4.879 1.00 0.00 C ATOM 313 CE1 HIS A 20 -18.346 24.074 -6.655 1.00 0.00 C ATOM 314 NE2 HIS A 20 -19.425 24.002 -5.872 1.00 0.00 N ATOM 0 H HIS A 20 -17.502 23.830 -3.263 1.00 0.00 H new ATOM 0 HA HIS A 20 -18.062 21.145 -2.553 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -15.905 21.848 -4.519 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -17.167 20.637 -4.632 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -19.742 22.781 -4.071 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -18.274 24.702 -7.531 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -20.303 24.510 -5.979 1.00 0.00 H new ATOM 322 N CYS A 21 -15.109 22.417 -1.903 1.00 0.00 N ATOM 323 CA CYS A 21 -13.875 22.257 -1.168 1.00 0.00 C ATOM 324 C CYS A 21 -14.181 21.942 0.293 1.00 0.00 C ATOM 325 O CYS A 21 -13.590 21.038 0.879 1.00 0.00 O ATOM 326 CB CYS A 21 -13.063 23.549 -1.276 1.00 0.00 C ATOM 327 SG CYS A 21 -12.075 23.509 -2.794 1.00 0.00 S ATOM 0 H CYS A 21 -15.236 23.343 -2.310 1.00 0.00 H new ATOM 0 HA CYS A 21 -13.298 21.432 -1.585 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -13.729 24.411 -1.285 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.413 23.657 -0.408 1.00 0.00 H new ATOM 332 N ARG A 22 -15.132 22.681 0.868 1.00 0.00 N ATOM 333 CA ARG A 22 -15.529 22.450 2.253 1.00 0.00 C ATOM 334 C ARG A 22 -15.960 20.998 2.415 1.00 0.00 C ATOM 335 O ARG A 22 -15.512 20.297 3.329 1.00 0.00 O ATOM 336 CB ARG A 22 -16.685 23.383 2.629 1.00 0.00 C ATOM 337 CG ARG A 22 -17.056 23.188 4.103 1.00 0.00 C ATOM 338 CD ARG A 22 -18.263 24.062 4.445 1.00 0.00 C ATOM 339 NE ARG A 22 -18.611 23.920 5.855 1.00 0.00 N ATOM 340 CZ ARG A 22 -19.671 24.535 6.372 1.00 0.00 C ATOM 341 NH1 ARG A 22 -20.418 25.299 5.620 1.00 0.00 N ATOM 342 NH2 ARG A 22 -19.965 24.376 7.632 1.00 0.00 N ATOM 0 H ARG A 22 -15.635 23.435 0.400 1.00 0.00 H new ATOM 0 HA ARG A 22 -14.685 22.655 2.912 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.399 24.420 2.451 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -17.549 23.178 1.997 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -17.286 22.140 4.296 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -16.211 23.451 4.740 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -18.039 25.105 4.222 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -19.113 23.779 3.824 1.00 0.00 H new ATOM 0 HE ARG A 22 -18.029 23.337 6.457 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -20.189 25.425 4.634 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -21.230 25.770 6.019 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -19.382 23.780 8.220 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -20.778 24.847 8.029 1.00 0.00 H new ATOM 356 N MET A 23 -16.810 20.544 1.493 1.00 0.00 N ATOM 357 CA MET A 23 -17.269 19.162 1.517 1.00 0.00 C ATOM 358 C MET A 23 -16.061 18.235 1.448 1.00 0.00 C ATOM 359 O MET A 23 -16.002 17.219 2.137 1.00 0.00 O ATOM 360 CB MET A 23 -18.202 18.895 0.332 1.00 0.00 C ATOM 361 CG MET A 23 -18.802 17.490 0.453 1.00 0.00 C ATOM 362 SD MET A 23 -19.814 17.139 -1.007 1.00 0.00 S ATOM 363 CE MET A 23 -20.392 15.503 -0.496 1.00 0.00 C ATOM 0 H MET A 23 -17.188 21.107 0.731 1.00 0.00 H new ATOM 0 HA MET A 23 -17.820 18.978 2.440 1.00 0.00 H new ATOM 0 HB2 MET A 23 -18.998 19.640 0.308 1.00 0.00 H new ATOM 0 HB3 MET A 23 -17.652 18.986 -0.604 1.00 0.00 H new ATOM 0 HG2 MET A 23 -18.007 16.750 0.544 1.00 0.00 H new ATOM 0 HG3 MET A 23 -19.409 17.419 1.355 1.00 0.00 H new ATOM 0 HE1 MET A 23 -21.045 15.091 -1.265 1.00 0.00 H new ATOM 0 HE2 MET A 23 -19.536 14.843 -0.355 1.00 0.00 H new ATOM 0 HE3 MET A 23 -20.943 15.588 0.441 1.00 0.00 H new ATOM 373 N TYR A 24 -15.094 18.618 0.614 1.00 0.00 N ATOM 374 CA TYR A 24 -13.871 17.844 0.452 1.00 0.00 C ATOM 375 C TYR A 24 -13.150 17.706 1.792 1.00 0.00 C ATOM 376 O TYR A 24 -12.707 16.618 2.153 1.00 0.00 O ATOM 377 CB TYR A 24 -12.974 18.521 -0.605 1.00 0.00 C ATOM 378 CG TYR A 24 -11.545 18.667 -0.118 1.00 0.00 C ATOM 379 CD1 TYR A 24 -10.796 17.536 0.235 1.00 0.00 C ATOM 380 CD2 TYR A 24 -10.966 19.940 -0.036 1.00 0.00 C ATOM 381 CE1 TYR A 24 -9.476 17.682 0.673 1.00 0.00 C ATOM 382 CE2 TYR A 24 -9.645 20.084 0.399 1.00 0.00 C ATOM 383 CZ TYR A 24 -8.900 18.955 0.754 1.00 0.00 C ATOM 384 OH TYR A 24 -7.595 19.099 1.178 1.00 0.00 O ATOM 0 H TYR A 24 -15.138 19.461 0.041 1.00 0.00 H new ATOM 0 HA TYR A 24 -14.115 16.840 0.106 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -12.987 17.934 -1.523 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -13.377 19.504 -0.849 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -11.238 16.553 0.169 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.541 20.812 -0.309 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.900 16.811 0.949 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -9.200 21.066 0.461 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.585 19.464 2.087 1.00 0.00 H new ATOM 394 N MET A 25 -13.041 18.811 2.528 1.00 0.00 N ATOM 395 CA MET A 25 -12.379 18.782 3.831 1.00 0.00 C ATOM 396 C MET A 25 -13.062 17.762 4.736 1.00 0.00 C ATOM 397 O MET A 25 -12.416 16.874 5.305 1.00 0.00 O ATOM 398 CB MET A 25 -12.461 20.160 4.488 1.00 0.00 C ATOM 399 CG MET A 25 -11.764 21.203 3.609 1.00 0.00 C ATOM 400 SD MET A 25 -9.988 20.864 3.544 1.00 0.00 S ATOM 401 CE MET A 25 -9.589 21.405 5.224 1.00 0.00 C ATOM 0 H MET A 25 -13.397 19.725 2.250 1.00 0.00 H new ATOM 0 HA MET A 25 -11.334 18.506 3.687 1.00 0.00 H new ATOM 0 HB2 MET A 25 -13.504 20.438 4.639 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.993 20.131 5.472 1.00 0.00 H new ATOM 0 HG2 MET A 25 -12.184 21.183 2.603 1.00 0.00 H new ATOM 0 HG3 MET A 25 -11.938 22.202 4.008 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.508 21.501 5.328 1.00 0.00 H new ATOM 0 HE2 MET A 25 -10.059 22.369 5.417 1.00 0.00 H new ATOM 0 HE3 MET A 25 -9.959 20.671 5.940 1.00 0.00 H new ATOM 411 N ARG A 26 -14.383 17.885 4.845 1.00 0.00 N ATOM 412 CA ARG A 26 -15.153 16.959 5.664 1.00 0.00 C ATOM 413 C ARG A 26 -14.924 15.542 5.155 1.00 0.00 C ATOM 414 O ARG A 26 -14.691 14.605 5.930 1.00 0.00 O ATOM 415 CB ARG A 26 -16.643 17.313 5.585 1.00 0.00 C ATOM 416 CG ARG A 26 -17.438 16.453 6.571 1.00 0.00 C ATOM 417 CD ARG A 26 -18.932 16.751 6.421 1.00 0.00 C ATOM 418 NE ARG A 26 -19.199 18.155 6.720 1.00 0.00 N ATOM 419 CZ ARG A 26 -20.388 18.703 6.478 1.00 0.00 C ATOM 420 NH1 ARG A 26 -21.351 17.986 5.965 1.00 0.00 N ATOM 421 NH2 ARG A 26 -20.592 19.962 6.755 1.00 0.00 N ATOM 0 H ARG A 26 -14.934 18.608 4.382 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.832 17.029 6.703 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -16.787 18.369 5.813 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -17.010 17.152 4.571 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -17.247 15.396 6.384 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -17.116 16.660 7.592 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -19.256 16.520 5.406 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -19.507 16.113 7.092 1.00 0.00 H new ATOM 0 HE ARG A 26 -18.458 18.729 7.123 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -21.194 17.002 5.748 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -22.260 18.410 5.781 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -19.841 20.524 7.156 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -21.502 20.384 6.570 1.00 0.00 H new ATOM 435 N GLN A 27 -14.953 15.412 3.834 1.00 0.00 N ATOM 436 CA GLN A 27 -14.716 14.139 3.197 1.00 0.00 C ATOM 437 C GLN A 27 -13.347 13.621 3.596 1.00 0.00 C ATOM 438 O GLN A 27 -13.158 12.435 3.828 1.00 0.00 O ATOM 439 CB GLN A 27 -14.814 14.284 1.671 1.00 0.00 C ATOM 440 CG GLN A 27 -14.452 12.960 0.987 1.00 0.00 C ATOM 441 CD GLN A 27 -15.254 11.814 1.592 1.00 0.00 C ATOM 442 OE1 GLN A 27 -16.170 11.288 0.959 1.00 0.00 O ATOM 443 NE2 GLN A 27 -14.966 11.405 2.795 1.00 0.00 N ATOM 0 H GLN A 27 -15.140 16.180 3.189 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.473 13.426 3.522 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -15.825 14.581 1.391 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.144 15.073 1.330 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.653 13.029 -0.082 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.385 12.765 1.099 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.206 11.844 3.315 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -15.500 10.645 3.217 1.00 0.00 H new ATOM 452 N GLN A 28 -12.384 14.512 3.697 1.00 0.00 N ATOM 453 CA GLN A 28 -11.064 14.086 4.079 1.00 0.00 C ATOM 454 C GLN A 28 -11.105 13.450 5.459 1.00 0.00 C ATOM 455 O GLN A 28 -10.421 12.459 5.715 1.00 0.00 O ATOM 456 CB GLN A 28 -10.138 15.273 4.103 1.00 0.00 C ATOM 457 CG GLN A 28 -8.705 14.807 4.397 1.00 0.00 C ATOM 458 CD GLN A 28 -8.333 15.088 5.852 1.00 0.00 C ATOM 459 OE1 GLN A 28 -9.207 15.317 6.689 1.00 0.00 O ATOM 460 NE2 GLN A 28 -7.077 15.078 6.205 1.00 0.00 N ATOM 0 H GLN A 28 -12.489 15.512 3.524 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.702 13.355 3.356 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.172 15.792 3.145 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -10.462 15.984 4.863 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.615 13.740 4.193 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.008 15.318 3.733 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.354 14.888 5.511 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.818 15.260 7.175 1.00 0.00 H new ATOM 469 N MET A 29 -11.914 14.030 6.349 1.00 0.00 N ATOM 470 CA MET A 29 -12.024 13.494 7.700 1.00 0.00 C ATOM 471 C MET A 29 -12.522 12.054 7.640 1.00 0.00 C ATOM 472 O MET A 29 -11.887 11.149 8.181 1.00 0.00 O ATOM 473 CB MET A 29 -12.998 14.330 8.537 1.00 0.00 C ATOM 474 CG MET A 29 -12.516 15.782 8.601 1.00 0.00 C ATOM 475 SD MET A 29 -13.458 16.687 9.859 1.00 0.00 S ATOM 476 CE MET A 29 -15.120 16.379 9.210 1.00 0.00 C ATOM 0 H MET A 29 -12.489 14.852 6.162 1.00 0.00 H new ATOM 0 HA MET A 29 -11.039 13.528 8.166 1.00 0.00 H new ATOM 0 HB2 MET A 29 -13.996 14.288 8.100 1.00 0.00 H new ATOM 0 HB3 MET A 29 -13.073 13.918 9.543 1.00 0.00 H new ATOM 0 HG2 MET A 29 -11.453 15.812 8.839 1.00 0.00 H new ATOM 0 HG3 MET A 29 -12.639 16.259 7.629 1.00 0.00 H new ATOM 0 HE1 MET A 29 -15.670 17.318 9.159 1.00 0.00 H new ATOM 0 HE2 MET A 29 -15.047 15.947 8.212 1.00 0.00 H new ATOM 0 HE3 MET A 29 -15.645 15.686 9.868 1.00 0.00 H new ATOM 486 N GLU A 30 -13.650 11.841 6.960 1.00 0.00 N ATOM 487 CA GLU A 30 -14.193 10.488 6.825 1.00 0.00 C ATOM 488 C GLU A 30 -13.268 9.620 5.969 1.00 0.00 C ATOM 489 O GLU A 30 -12.985 8.469 6.303 1.00 0.00 O ATOM 490 CB GLU A 30 -15.586 10.525 6.187 1.00 0.00 C ATOM 491 CG GLU A 30 -16.580 11.189 7.147 1.00 0.00 C ATOM 492 CD GLU A 30 -16.632 12.694 6.898 1.00 0.00 C ATOM 493 OE1 GLU A 30 -16.886 13.079 5.767 1.00 0.00 O ATOM 494 OE2 GLU A 30 -16.430 13.440 7.842 1.00 0.00 O ATOM 0 H GLU A 30 -14.196 12.571 6.503 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.268 10.057 7.824 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.551 11.076 5.247 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.915 9.513 5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -17.571 10.757 7.011 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.286 10.994 8.178 1.00 0.00 H new ATOM 501 N GLU A 31 -12.810 10.198 4.861 1.00 0.00 N ATOM 502 CA GLU A 31 -11.921 9.509 3.925 1.00 0.00 C ATOM 503 C GLU A 31 -10.550 9.244 4.548 1.00 0.00 C ATOM 504 O GLU A 31 -9.701 8.615 3.930 1.00 0.00 O ATOM 505 CB GLU A 31 -11.760 10.359 2.656 1.00 0.00 C ATOM 506 CG GLU A 31 -11.056 9.553 1.556 1.00 0.00 C ATOM 507 CD GLU A 31 -10.819 10.420 0.317 1.00 0.00 C ATOM 508 OE1 GLU A 31 -11.204 11.579 0.335 1.00 0.00 O ATOM 509 OE2 GLU A 31 -10.251 9.908 -0.634 1.00 0.00 O ATOM 0 H GLU A 31 -13.042 11.152 4.586 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.367 8.546 3.675 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.738 10.688 2.305 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.184 11.256 2.883 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.104 9.174 1.928 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.661 8.687 1.289 1.00 0.00 H new ATOM 516 N SER A 32 -10.331 9.747 5.761 1.00 0.00 N ATOM 517 CA SER A 32 -9.043 9.579 6.443 1.00 0.00 C ATOM 518 C SER A 32 -8.377 8.242 6.097 1.00 0.00 C ATOM 519 O SER A 32 -7.235 8.204 5.654 1.00 0.00 O ATOM 520 CB SER A 32 -9.247 9.665 7.956 1.00 0.00 C ATOM 521 OG SER A 32 -10.213 8.701 8.359 1.00 0.00 O ATOM 0 H SER A 32 -11.024 10.273 6.293 1.00 0.00 H new ATOM 0 HA SER A 32 -8.385 10.379 6.102 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.303 9.488 8.472 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.579 10.666 8.233 1.00 0.00 H new ATOM 0 HG SER A 32 -11.091 9.129 8.433 1.00 0.00 H new ATOM 527 N THR A 33 -9.087 7.149 6.303 1.00 0.00 N ATOM 528 CA THR A 33 -8.532 5.827 6.010 1.00 0.00 C ATOM 529 C THR A 33 -8.210 5.668 4.518 1.00 0.00 C ATOM 530 O THR A 33 -7.231 5.015 4.153 1.00 0.00 O ATOM 531 CB THR A 33 -9.525 4.741 6.438 1.00 0.00 C ATOM 532 OG1 THR A 33 -10.727 4.878 5.693 1.00 0.00 O ATOM 533 CG2 THR A 33 -9.828 4.878 7.932 1.00 0.00 C ATOM 0 H THR A 33 -10.039 7.142 6.668 1.00 0.00 H new ATOM 0 HA THR A 33 -7.603 5.723 6.570 1.00 0.00 H new ATOM 0 HB THR A 33 -9.090 3.759 6.249 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.595 4.519 4.791 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.534 4.104 8.232 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.905 4.768 8.502 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.260 5.859 8.127 1.00 0.00 H new ATOM 541 N TYR A 34 -9.057 6.244 3.669 1.00 0.00 N ATOM 542 CA TYR A 34 -8.887 6.145 2.215 1.00 0.00 C ATOM 543 C TYR A 34 -8.209 7.378 1.600 1.00 0.00 C ATOM 544 O TYR A 34 -8.121 7.475 0.375 1.00 0.00 O ATOM 545 CB TYR A 34 -10.254 5.943 1.554 1.00 0.00 C ATOM 546 CG TYR A 34 -10.910 4.703 2.113 1.00 0.00 C ATOM 547 CD1 TYR A 34 -10.487 3.436 1.694 1.00 0.00 C ATOM 548 CD2 TYR A 34 -11.942 4.821 3.053 1.00 0.00 C ATOM 549 CE1 TYR A 34 -11.096 2.287 2.213 1.00 0.00 C ATOM 550 CE2 TYR A 34 -12.550 3.672 3.572 1.00 0.00 C ATOM 551 CZ TYR A 34 -12.127 2.405 3.153 1.00 0.00 C ATOM 552 OH TYR A 34 -12.727 1.273 3.665 1.00 0.00 O ATOM 0 H TYR A 34 -9.871 6.786 3.960 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.233 5.293 2.032 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.887 6.813 1.731 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.137 5.849 0.474 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.691 3.345 0.970 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.268 5.798 3.377 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -10.771 1.310 1.888 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.346 3.763 4.296 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.422 1.532 4.305 1.00 0.00 H new ATOM 562 N GLN A 35 -7.775 8.334 2.430 1.00 0.00 N ATOM 563 CA GLN A 35 -7.157 9.565 1.910 1.00 0.00 C ATOM 564 C GLN A 35 -6.303 9.308 0.677 1.00 0.00 C ATOM 565 O GLN A 35 -6.261 10.137 -0.233 1.00 0.00 O ATOM 566 CB GLN A 35 -6.285 10.255 2.951 1.00 0.00 C ATOM 567 CG GLN A 35 -5.377 9.247 3.658 1.00 0.00 C ATOM 568 CD GLN A 35 -5.173 9.682 5.103 1.00 0.00 C ATOM 569 OE1 GLN A 35 -4.122 9.433 5.693 1.00 0.00 O ATOM 570 NE2 GLN A 35 -6.134 10.323 5.708 1.00 0.00 N ATOM 0 H GLN A 35 -7.837 8.284 3.447 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.993 10.212 1.645 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.678 11.023 2.471 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.916 10.758 3.684 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.823 8.253 3.625 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.417 9.183 3.146 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.002 10.526 5.213 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.017 10.621 6.676 1.00 0.00 H new ATOM 579 N THR A 36 -5.614 8.170 0.646 1.00 0.00 N ATOM 580 CA THR A 36 -4.766 7.860 -0.496 1.00 0.00 C ATOM 581 C THR A 36 -5.612 7.780 -1.759 1.00 0.00 C ATOM 582 O THR A 36 -6.365 6.826 -1.962 1.00 0.00 O ATOM 583 CB THR A 36 -4.045 6.527 -0.269 1.00 0.00 C ATOM 584 OG1 THR A 36 -4.988 5.542 0.135 1.00 0.00 O ATOM 585 CG2 THR A 36 -2.983 6.695 0.821 1.00 0.00 C ATOM 0 H THR A 36 -5.626 7.463 1.381 1.00 0.00 H new ATOM 0 HA THR A 36 -4.023 8.649 -0.610 1.00 0.00 H new ATOM 0 HB THR A 36 -3.564 6.213 -1.196 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.812 5.645 -0.386 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.472 5.746 0.980 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.260 7.449 0.511 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.461 7.010 1.749 1.00 0.00 H new ATOM 593 N MET A 37 -5.478 8.798 -2.602 1.00 0.00 N ATOM 594 CA MET A 37 -6.228 8.859 -3.851 1.00 0.00 C ATOM 595 C MET A 37 -5.804 7.731 -4.792 1.00 0.00 C ATOM 596 O MET A 37 -4.634 7.637 -5.166 1.00 0.00 O ATOM 597 CB MET A 37 -5.995 10.214 -4.528 1.00 0.00 C ATOM 598 CG MET A 37 -6.522 11.336 -3.625 1.00 0.00 C ATOM 599 SD MET A 37 -8.326 11.423 -3.759 1.00 0.00 S ATOM 600 CE MET A 37 -8.400 12.536 -5.185 1.00 0.00 C ATOM 0 H MET A 37 -4.857 9.592 -2.443 1.00 0.00 H new ATOM 0 HA MET A 37 -7.288 8.742 -3.626 1.00 0.00 H new ATOM 0 HB2 MET A 37 -4.932 10.358 -4.721 1.00 0.00 H new ATOM 0 HB3 MET A 37 -6.501 10.242 -5.493 1.00 0.00 H new ATOM 0 HG2 MET A 37 -6.232 11.151 -2.591 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.079 12.289 -3.915 1.00 0.00 H new ATOM 0 HE1 MET A 37 -9.441 12.728 -5.443 1.00 0.00 H new ATOM 0 HE2 MET A 37 -7.908 13.477 -4.938 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.895 12.074 -6.033 1.00 0.00 H new ATOM 610 N PRO A 38 -6.725 6.884 -5.185 1.00 0.00 N ATOM 611 CA PRO A 38 -6.430 5.752 -6.108 1.00 0.00 C ATOM 612 C PRO A 38 -6.251 6.228 -7.546 1.00 0.00 C ATOM 613 O PRO A 38 -6.963 7.124 -8.003 1.00 0.00 O ATOM 614 CB PRO A 38 -7.657 4.853 -5.978 1.00 0.00 C ATOM 615 CG PRO A 38 -8.771 5.772 -5.608 1.00 0.00 C ATOM 616 CD PRO A 38 -8.147 6.912 -4.798 1.00 0.00 C ATOM 0 HA PRO A 38 -5.499 5.244 -5.857 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.867 4.334 -6.913 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.507 4.088 -5.216 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.268 6.156 -6.499 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.527 5.249 -5.022 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.607 7.871 -5.037 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.273 6.756 -3.727 1.00 0.00 H new ATOM 624 N ARG A 39 -5.304 5.623 -8.253 1.00 0.00 N ATOM 625 CA ARG A 39 -5.048 5.995 -9.642 1.00 0.00 C ATOM 626 C ARG A 39 -6.276 5.715 -10.486 1.00 0.00 C ATOM 627 O ARG A 39 -6.619 6.489 -11.382 1.00 0.00 O ATOM 628 CB ARG A 39 -3.899 5.176 -10.213 1.00 0.00 C ATOM 629 CG ARG A 39 -2.668 5.294 -9.309 1.00 0.00 C ATOM 630 CD ARG A 39 -1.490 4.553 -9.947 1.00 0.00 C ATOM 631 NE ARG A 39 -0.367 4.490 -9.015 1.00 0.00 N ATOM 632 CZ ARG A 39 -0.350 3.623 -8.004 1.00 0.00 C ATOM 633 NH1 ARG A 39 -1.353 2.806 -7.821 1.00 0.00 N ATOM 634 NH2 ARG A 39 0.671 3.591 -7.192 1.00 0.00 N ATOM 0 H ARG A 39 -4.705 4.880 -7.893 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.798 7.056 -9.663 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.196 4.131 -10.302 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.657 5.525 -11.217 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.413 6.343 -9.160 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.885 4.876 -8.326 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.795 3.545 -10.229 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.184 5.061 -10.862 1.00 0.00 H new ATOM 0 HE ARG A 39 0.422 5.124 -9.141 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.153 2.831 -8.454 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.336 2.143 -7.046 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.454 4.229 -7.332 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.686 2.928 -6.417 1.00 0.00 H new ATOM 648 N ARG A 40 -6.925 4.588 -10.200 1.00 0.00 N ATOM 649 CA ARG A 40 -8.104 4.202 -10.951 1.00 0.00 C ATOM 650 C ARG A 40 -9.230 5.179 -10.699 1.00 0.00 C ATOM 651 O ARG A 40 -9.926 5.114 -9.683 1.00 0.00 O ATOM 652 CB ARG A 40 -8.544 2.790 -10.564 1.00 0.00 C ATOM 653 CG ARG A 40 -7.524 1.775 -11.083 1.00 0.00 C ATOM 654 CD ARG A 40 -7.599 1.689 -12.612 1.00 0.00 C ATOM 655 NE ARG A 40 -8.965 1.398 -13.042 1.00 0.00 N ATOM 656 CZ ARG A 40 -9.486 0.177 -12.931 1.00 0.00 C ATOM 657 NH1 ARG A 40 -8.777 -0.797 -12.428 1.00 0.00 N ATOM 658 NH2 ARG A 40 -10.708 -0.045 -13.326 1.00 0.00 N ATOM 0 H ARG A 40 -6.654 3.938 -9.462 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.856 4.215 -12.012 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.633 2.710 -9.481 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.528 2.578 -10.981 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.520 2.067 -10.776 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.719 0.796 -10.646 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.266 2.629 -13.052 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.925 0.912 -12.972 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.533 2.148 -13.437 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.821 -0.624 -12.118 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.179 -1.731 -12.345 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.263 0.715 -13.719 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.109 -0.979 -13.242 1.00 0.00 H new ATOM 672 N GLY A 41 -9.396 6.076 -11.651 1.00 0.00 N ATOM 673 CA GLY A 41 -10.444 7.093 -11.578 1.00 0.00 C ATOM 674 C GLY A 41 -10.432 7.807 -10.229 1.00 0.00 C ATOM 675 O GLY A 41 -11.157 7.424 -9.309 1.00 0.00 O ATOM 0 H GLY A 41 -8.819 6.127 -12.491 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.304 7.820 -12.378 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.417 6.628 -11.737 1.00 0.00 H new ATOM 679 N MET A 42 -9.604 8.845 -10.117 1.00 0.00 N ATOM 680 CA MET A 42 -9.504 9.610 -8.873 1.00 0.00 C ATOM 681 C MET A 42 -10.883 10.097 -8.427 1.00 0.00 C ATOM 682 O MET A 42 -11.856 10.011 -9.179 1.00 0.00 O ATOM 683 CB MET A 42 -8.575 10.811 -9.071 1.00 0.00 C ATOM 684 CG MET A 42 -7.149 10.320 -9.339 1.00 0.00 C ATOM 685 SD MET A 42 -6.018 11.735 -9.387 1.00 0.00 S ATOM 686 CE MET A 42 -6.761 12.585 -10.802 1.00 0.00 C ATOM 0 H MET A 42 -8.996 9.175 -10.867 1.00 0.00 H new ATOM 0 HA MET A 42 -9.096 8.958 -8.101 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.924 11.419 -9.906 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.591 11.446 -8.185 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.842 9.622 -8.560 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.111 9.779 -10.285 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.027 13.253 -11.252 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.083 11.850 -11.540 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.622 13.164 -10.468 1.00 0.00 H new ATOM 696 N GLU A 43 -10.960 10.605 -7.199 1.00 0.00 N ATOM 697 CA GLU A 43 -12.228 11.092 -6.664 1.00 0.00 C ATOM 698 C GLU A 43 -12.668 12.359 -7.399 1.00 0.00 C ATOM 699 O GLU A 43 -11.955 13.364 -7.400 1.00 0.00 O ATOM 700 CB GLU A 43 -12.081 11.389 -5.168 1.00 0.00 C ATOM 701 CG GLU A 43 -13.411 11.121 -4.456 1.00 0.00 C ATOM 702 CD GLU A 43 -13.331 11.573 -2.999 1.00 0.00 C ATOM 703 OE1 GLU A 43 -12.374 11.206 -2.335 1.00 0.00 O ATOM 704 OE2 GLU A 43 -14.230 12.276 -2.566 1.00 0.00 O ATOM 0 H GLU A 43 -10.168 10.690 -6.562 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.985 10.321 -6.809 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.296 10.766 -4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.781 12.427 -5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.217 11.650 -4.965 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.649 10.058 -4.502 1.00 0.00 H new ATOM 711 N PRO A 44 -13.823 12.327 -8.023 1.00 0.00 N ATOM 712 CA PRO A 44 -14.364 13.495 -8.780 1.00 0.00 C ATOM 713 C PRO A 44 -14.702 14.667 -7.864 1.00 0.00 C ATOM 714 O PRO A 44 -14.603 15.827 -8.264 1.00 0.00 O ATOM 715 CB PRO A 44 -15.623 12.949 -9.462 1.00 0.00 C ATOM 716 CG PRO A 44 -16.021 11.749 -8.670 1.00 0.00 C ATOM 717 CD PRO A 44 -14.739 11.175 -8.071 1.00 0.00 C ATOM 0 HA PRO A 44 -13.636 13.891 -9.488 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -16.418 13.694 -9.471 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -15.423 12.684 -10.500 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -16.728 12.020 -7.885 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.515 11.013 -9.304 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.913 10.761 -7.078 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.336 10.370 -8.686 1.00 0.00 H new ATOM 725 N HIS A 45 -15.102 14.355 -6.632 1.00 0.00 N ATOM 726 CA HIS A 45 -15.452 15.390 -5.666 1.00 0.00 C ATOM 727 C HIS A 45 -14.312 16.393 -5.534 1.00 0.00 C ATOM 728 O HIS A 45 -14.528 17.605 -5.574 1.00 0.00 O ATOM 729 CB HIS A 45 -15.732 14.757 -4.301 1.00 0.00 C ATOM 730 CG HIS A 45 -16.840 13.749 -4.433 1.00 0.00 C ATOM 731 ND1 HIS A 45 -16.591 12.406 -4.669 1.00 0.00 N ATOM 732 CD2 HIS A 45 -18.206 13.872 -4.372 1.00 0.00 C ATOM 733 CE1 HIS A 45 -17.779 11.779 -4.741 1.00 0.00 C ATOM 734 NE2 HIS A 45 -18.796 12.627 -4.567 1.00 0.00 N ATOM 0 H HIS A 45 -15.191 13.401 -6.283 1.00 0.00 H new ATOM 0 HA HIS A 45 -16.346 15.906 -6.017 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -14.831 14.275 -3.920 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -16.010 15.527 -3.581 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -18.741 14.794 -4.199 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -17.896 10.720 -4.918 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -19.792 12.409 -4.575 1.00 0.00 H new ATOM 742 N MET A 46 -13.096 15.873 -5.387 1.00 0.00 N ATOM 743 CA MET A 46 -11.917 16.723 -5.262 1.00 0.00 C ATOM 744 C MET A 46 -11.680 17.484 -6.564 1.00 0.00 C ATOM 745 O MET A 46 -11.332 18.665 -6.555 1.00 0.00 O ATOM 746 CB MET A 46 -10.688 15.862 -4.947 1.00 0.00 C ATOM 747 CG MET A 46 -10.950 15.014 -3.699 1.00 0.00 C ATOM 748 SD MET A 46 -11.476 16.081 -2.335 1.00 0.00 S ATOM 749 CE MET A 46 -12.617 14.909 -1.559 1.00 0.00 C ATOM 0 H MET A 46 -12.903 14.872 -5.352 1.00 0.00 H new ATOM 0 HA MET A 46 -12.081 17.435 -4.453 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.459 15.216 -5.795 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.818 16.499 -4.788 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.718 14.270 -3.908 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.047 14.471 -3.421 1.00 0.00 H new ATOM 0 HE1 MET A 46 -12.680 15.116 -0.491 1.00 0.00 H new ATOM 0 HE2 MET A 46 -13.605 15.012 -2.008 1.00 0.00 H new ATOM 0 HE3 MET A 46 -12.254 13.893 -1.711 1.00 0.00 H new ATOM 759 N SER A 47 -11.870 16.783 -7.680 1.00 0.00 N ATOM 760 CA SER A 47 -11.676 17.370 -9.004 1.00 0.00 C ATOM 761 C SER A 47 -12.580 18.584 -9.209 1.00 0.00 C ATOM 762 O SER A 47 -12.205 19.532 -9.899 1.00 0.00 O ATOM 763 CB SER A 47 -11.970 16.326 -10.082 1.00 0.00 C ATOM 764 OG SER A 47 -11.209 15.154 -9.821 1.00 0.00 O ATOM 0 H SER A 47 -12.159 15.805 -7.693 1.00 0.00 H new ATOM 0 HA SER A 47 -10.639 17.698 -9.080 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.034 16.088 -10.093 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.722 16.723 -11.066 1.00 0.00 H new ATOM 0 HG SER A 47 -11.649 14.628 -9.121 1.00 0.00 H new ATOM 770 N GLU A 48 -13.774 18.540 -8.619 1.00 0.00 N ATOM 771 CA GLU A 48 -14.725 19.639 -8.761 1.00 0.00 C ATOM 772 C GLU A 48 -14.086 20.962 -8.345 1.00 0.00 C ATOM 773 O GLU A 48 -14.264 21.982 -9.013 1.00 0.00 O ATOM 774 CB GLU A 48 -15.963 19.370 -7.900 1.00 0.00 C ATOM 775 CG GLU A 48 -17.027 20.440 -8.176 1.00 0.00 C ATOM 776 CD GLU A 48 -18.247 20.238 -7.273 1.00 0.00 C ATOM 777 OE1 GLU A 48 -18.236 19.309 -6.479 1.00 0.00 O ATOM 778 OE2 GLU A 48 -19.177 21.018 -7.391 1.00 0.00 O ATOM 0 H GLU A 48 -14.102 17.764 -8.044 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.019 19.708 -9.808 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -16.363 18.380 -8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.692 19.377 -6.844 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -16.605 21.431 -8.009 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -17.331 20.396 -9.222 1.00 0.00 H new ATOM 785 N CYS A 49 -13.332 20.936 -7.249 1.00 0.00 N ATOM 786 CA CYS A 49 -12.663 22.141 -6.772 1.00 0.00 C ATOM 787 C CYS A 49 -11.551 22.545 -7.737 1.00 0.00 C ATOM 788 O CYS A 49 -11.474 23.699 -8.155 1.00 0.00 O ATOM 789 CB CYS A 49 -12.086 21.911 -5.370 1.00 0.00 C ATOM 790 SG CYS A 49 -13.244 22.536 -4.127 1.00 0.00 S ATOM 0 H CYS A 49 -13.171 20.104 -6.681 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.395 22.947 -6.721 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -11.904 20.848 -5.210 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -11.125 22.417 -5.274 1.00 0.00 H new ATOM 795 N CYS A 50 -10.697 21.581 -8.088 1.00 0.00 N ATOM 796 CA CYS A 50 -9.587 21.835 -9.009 1.00 0.00 C ATOM 797 C CYS A 50 -10.079 22.457 -10.311 1.00 0.00 C ATOM 798 O CYS A 50 -9.410 23.310 -10.896 1.00 0.00 O ATOM 799 CB CYS A 50 -8.859 20.529 -9.331 1.00 0.00 C ATOM 800 SG CYS A 50 -7.259 20.905 -10.090 1.00 0.00 S ATOM 0 H CYS A 50 -10.752 20.620 -7.750 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.907 22.532 -8.519 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -8.715 19.946 -8.421 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -9.461 19.921 -10.007 1.00 0.00 H new ATOM 805 N GLU A 51 -11.244 22.011 -10.769 1.00 0.00 N ATOM 806 CA GLU A 51 -11.810 22.518 -12.013 1.00 0.00 C ATOM 807 C GLU A 51 -12.011 24.031 -11.950 1.00 0.00 C ATOM 808 O GLU A 51 -11.833 24.727 -12.948 1.00 0.00 O ATOM 809 CB GLU A 51 -13.150 21.831 -12.295 1.00 0.00 C ATOM 810 CG GLU A 51 -13.650 22.224 -13.692 1.00 0.00 C ATOM 811 CD GLU A 51 -12.732 21.648 -14.773 1.00 0.00 C ATOM 812 OE1 GLU A 51 -12.180 20.580 -14.557 1.00 0.00 O ATOM 813 OE2 GLU A 51 -12.605 22.279 -15.809 1.00 0.00 O ATOM 0 H GLU A 51 -11.811 21.304 -10.301 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.109 22.298 -12.819 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -13.035 20.749 -12.230 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.883 22.119 -11.542 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.666 21.858 -13.837 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.687 23.310 -13.779 1.00 0.00 H new ATOM 820 N GLN A 52 -12.397 24.532 -10.778 1.00 0.00 N ATOM 821 CA GLN A 52 -12.631 25.964 -10.614 1.00 0.00 C ATOM 822 C GLN A 52 -11.376 26.776 -10.947 1.00 0.00 C ATOM 823 O GLN A 52 -11.427 27.692 -11.769 1.00 0.00 O ATOM 824 CB GLN A 52 -13.073 26.262 -9.183 1.00 0.00 C ATOM 825 CG GLN A 52 -13.792 27.610 -9.159 1.00 0.00 C ATOM 826 CD GLN A 52 -15.238 27.436 -9.615 1.00 0.00 C ATOM 827 OE1 GLN A 52 -16.063 26.900 -8.876 1.00 0.00 O ATOM 828 NE2 GLN A 52 -15.594 27.856 -10.799 1.00 0.00 N ATOM 0 H GLN A 52 -12.553 23.975 -9.938 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.420 26.256 -11.308 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -13.735 25.475 -8.821 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -12.209 26.283 -8.518 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -13.767 28.027 -8.152 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -13.279 28.317 -9.810 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -14.909 28.300 -11.410 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -16.558 27.740 -11.113 1.00 0.00 H new ATOM 837 N LEU A 53 -10.251 26.425 -10.319 1.00 0.00 N ATOM 838 CA LEU A 53 -8.985 27.123 -10.582 1.00 0.00 C ATOM 839 C LEU A 53 -8.678 27.001 -12.051 1.00 0.00 C ATOM 840 O LEU A 53 -8.367 27.970 -12.744 1.00 0.00 O ATOM 841 CB LEU A 53 -7.832 26.462 -9.817 1.00 0.00 C ATOM 842 CG LEU A 53 -8.175 26.310 -8.334 1.00 0.00 C ATOM 843 CD1 LEU A 53 -8.871 27.575 -7.816 1.00 0.00 C ATOM 844 CD2 LEU A 53 -9.095 25.099 -8.168 1.00 0.00 C ATOM 0 H LEU A 53 -10.188 25.672 -9.633 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.084 28.162 -10.268 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.619 25.483 -10.247 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.928 27.061 -9.925 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.261 26.164 -7.758 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.109 27.452 -6.759 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.209 28.432 -7.942 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.790 27.741 -8.378 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.349 24.977 -7.115 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.006 25.253 -8.746 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.586 24.204 -8.525 1.00 0.00 H new ATOM 856 N GLU A 54 -8.799 25.769 -12.493 1.00 0.00 N ATOM 857 CA GLU A 54 -8.580 25.396 -13.865 1.00 0.00 C ATOM 858 C GLU A 54 -9.442 26.245 -14.801 1.00 0.00 C ATOM 859 O GLU A 54 -9.056 26.518 -15.939 1.00 0.00 O ATOM 860 CB GLU A 54 -8.897 23.908 -13.966 1.00 0.00 C ATOM 861 CG GLU A 54 -9.023 23.473 -15.432 1.00 0.00 C ATOM 862 CD GLU A 54 -9.435 22.001 -15.520 1.00 0.00 C ATOM 863 OE1 GLU A 54 -9.428 21.334 -14.496 1.00 0.00 O ATOM 864 OE2 GLU A 54 -9.747 21.561 -16.614 1.00 0.00 O ATOM 0 H GLU A 54 -9.058 24.986 -11.893 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.550 25.576 -14.172 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.112 23.331 -13.478 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.826 23.693 -13.438 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.761 24.094 -15.940 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.073 23.622 -15.945 1.00 0.00 H new ATOM 871 N GLY A 55 -10.599 26.677 -14.300 1.00 0.00 N ATOM 872 CA GLY A 55 -11.505 27.518 -15.082 1.00 0.00 C ATOM 873 C GLY A 55 -11.236 28.999 -14.815 1.00 0.00 C ATOM 874 O GLY A 55 -11.702 29.867 -15.553 1.00 0.00 O ATOM 0 H GLY A 55 -10.930 26.460 -13.360 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.379 27.306 -16.144 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.538 27.280 -14.830 1.00 0.00 H new ATOM 878 N MET A 56 -10.476 29.275 -13.754 1.00 0.00 N ATOM 879 CA MET A 56 -10.137 30.649 -13.382 1.00 0.00 C ATOM 880 C MET A 56 -8.900 31.123 -14.144 1.00 0.00 C ATOM 881 O MET A 56 -8.058 30.315 -14.539 1.00 0.00 O ATOM 882 CB MET A 56 -9.878 30.729 -11.871 1.00 0.00 C ATOM 883 CG MET A 56 -9.201 32.060 -11.523 1.00 0.00 C ATOM 884 SD MET A 56 -8.851 32.124 -9.749 1.00 0.00 S ATOM 885 CE MET A 56 -10.508 32.606 -9.210 1.00 0.00 C ATOM 0 H MET A 56 -10.083 28.564 -13.137 1.00 0.00 H new ATOM 0 HA MET A 56 -10.975 31.296 -13.642 1.00 0.00 H new ATOM 0 HB2 MET A 56 -10.818 30.637 -11.327 1.00 0.00 H new ATOM 0 HB3 MET A 56 -9.246 29.898 -11.558 1.00 0.00 H new ATOM 0 HG2 MET A 56 -8.276 32.167 -12.090 1.00 0.00 H new ATOM 0 HG3 MET A 56 -9.846 32.892 -11.806 1.00 0.00 H new ATOM 0 HE1 MET A 56 -10.483 32.877 -8.155 1.00 0.00 H new ATOM 0 HE2 MET A 56 -10.847 33.460 -9.796 1.00 0.00 H new ATOM 0 HE3 MET A 56 -11.194 31.772 -9.354 1.00 0.00 H new ATOM 895 N ASP A 57 -8.797 32.440 -14.341 1.00 0.00 N ATOM 896 CA ASP A 57 -7.655 33.013 -15.050 1.00 0.00 C ATOM 897 C ASP A 57 -6.345 32.538 -14.424 1.00 0.00 C ATOM 898 O ASP A 57 -6.247 32.388 -13.206 1.00 0.00 O ATOM 899 CB ASP A 57 -7.724 34.542 -15.001 1.00 0.00 C ATOM 900 CG ASP A 57 -8.986 35.044 -15.704 1.00 0.00 C ATOM 901 OD1 ASP A 57 -9.447 34.376 -16.616 1.00 0.00 O ATOM 902 OD2 ASP A 57 -9.471 36.097 -15.322 1.00 0.00 O ATOM 0 H ASP A 57 -9.485 33.122 -14.022 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.690 32.682 -16.088 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.720 34.879 -13.964 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.841 34.967 -15.478 1.00 0.00 H new ATOM 907 N GLU A 58 -5.344 32.294 -15.266 1.00 0.00 N ATOM 908 CA GLU A 58 -4.048 31.826 -14.782 1.00 0.00 C ATOM 909 C GLU A 58 -3.470 32.759 -13.720 1.00 0.00 C ATOM 910 O GLU A 58 -3.131 32.322 -12.620 1.00 0.00 O ATOM 911 CB GLU A 58 -3.065 31.721 -15.947 1.00 0.00 C ATOM 912 CG GLU A 58 -1.676 31.401 -15.397 1.00 0.00 C ATOM 913 CD GLU A 58 -0.666 31.307 -16.538 1.00 0.00 C ATOM 914 OE1 GLU A 58 -0.693 30.315 -17.248 1.00 0.00 O ATOM 915 OE2 GLU A 58 0.121 32.228 -16.684 1.00 0.00 O ATOM 0 H GLU A 58 -5.404 32.411 -16.277 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.201 30.846 -14.329 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.384 30.943 -16.640 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.042 32.656 -16.506 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.369 32.174 -14.693 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.703 30.460 -14.847 1.00 0.00 H new ATOM 922 N SER A 59 -3.353 34.038 -14.058 1.00 0.00 N ATOM 923 CA SER A 59 -2.809 35.018 -13.124 1.00 0.00 C ATOM 924 C SER A 59 -3.604 35.005 -11.823 1.00 0.00 C ATOM 925 O SER A 59 -3.060 35.221 -10.739 1.00 0.00 O ATOM 926 CB SER A 59 -2.866 36.413 -13.749 1.00 0.00 C ATOM 927 OG SER A 59 -2.178 36.398 -14.993 1.00 0.00 O ATOM 0 H SER A 59 -3.625 34.419 -14.964 1.00 0.00 H new ATOM 0 HA SER A 59 -1.773 34.760 -12.906 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.903 36.716 -13.897 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.413 37.143 -13.079 1.00 0.00 H new ATOM 0 HG SER A 59 -2.214 37.290 -15.397 1.00 0.00 H new ATOM 933 N CYS A 60 -4.896 34.744 -11.954 1.00 0.00 N ATOM 934 CA CYS A 60 -5.796 34.691 -10.805 1.00 0.00 C ATOM 935 C CYS A 60 -5.595 33.410 -10.004 1.00 0.00 C ATOM 936 O CYS A 60 -5.918 33.353 -8.817 1.00 0.00 O ATOM 937 CB CYS A 60 -7.248 34.790 -11.273 1.00 0.00 C ATOM 938 SG CYS A 60 -7.510 36.401 -12.047 1.00 0.00 S ATOM 0 H CYS A 60 -5.350 34.564 -12.850 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.565 35.536 -10.157 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.470 33.992 -11.981 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.925 34.664 -10.428 1.00 0.00 H new ATOM 943 N ARG A 61 -5.085 32.380 -10.669 1.00 0.00 N ATOM 944 CA ARG A 61 -4.870 31.090 -10.025 1.00 0.00 C ATOM 945 C ARG A 61 -3.915 31.219 -8.841 1.00 0.00 C ATOM 946 O ARG A 61 -4.114 30.580 -7.807 1.00 0.00 O ATOM 947 CB ARG A 61 -4.289 30.106 -11.043 1.00 0.00 C ATOM 948 CG ARG A 61 -4.283 28.689 -10.462 1.00 0.00 C ATOM 949 CD ARG A 61 -3.565 27.750 -11.431 1.00 0.00 C ATOM 950 NE ARG A 61 -4.147 27.862 -12.765 1.00 0.00 N ATOM 951 CZ ARG A 61 -5.242 27.188 -13.107 1.00 0.00 C ATOM 952 NH1 ARG A 61 -5.809 26.378 -12.255 1.00 0.00 N ATOM 953 NH2 ARG A 61 -5.747 27.337 -14.302 1.00 0.00 N ATOM 0 H ARG A 61 -4.813 32.413 -11.652 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.828 30.725 -9.655 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.878 30.129 -11.960 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.274 30.403 -11.309 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.783 28.683 -9.493 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.305 28.347 -10.296 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.504 27.995 -11.467 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.643 26.722 -11.077 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.703 28.472 -13.452 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.413 26.260 -11.323 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.648 25.863 -12.522 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.302 27.968 -14.969 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.586 26.822 -14.569 1.00 0.00 H new ATOM 967 N CYS A 62 -2.881 32.046 -8.992 1.00 0.00 N ATOM 968 CA CYS A 62 -1.914 32.237 -7.915 1.00 0.00 C ATOM 969 C CYS A 62 -2.625 32.710 -6.647 1.00 0.00 C ATOM 970 O CYS A 62 -2.581 32.045 -5.612 1.00 0.00 O ATOM 971 CB CYS A 62 -0.870 33.278 -8.331 1.00 0.00 C ATOM 972 SG CYS A 62 0.021 32.701 -9.797 1.00 0.00 S ATOM 0 H CYS A 62 -2.694 32.586 -9.837 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.420 31.286 -7.716 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.357 34.230 -8.541 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -0.170 33.451 -7.514 1.00 0.00 H new ATOM 977 N GLU A 63 -3.290 33.858 -6.751 1.00 0.00 N ATOM 978 CA GLU A 63 -4.028 34.422 -5.624 1.00 0.00 C ATOM 979 C GLU A 63 -5.140 33.481 -5.172 1.00 0.00 C ATOM 980 O GLU A 63 -5.439 33.386 -3.983 1.00 0.00 O ATOM 981 CB GLU A 63 -4.634 35.772 -6.016 1.00 0.00 C ATOM 982 CG GLU A 63 -5.307 36.407 -4.792 1.00 0.00 C ATOM 983 CD GLU A 63 -5.997 37.715 -5.177 1.00 0.00 C ATOM 984 OE1 GLU A 63 -6.642 37.746 -6.212 1.00 0.00 O ATOM 985 OE2 GLU A 63 -5.872 38.669 -4.426 1.00 0.00 O ATOM 0 H GLU A 63 -3.333 34.416 -7.604 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.329 34.559 -4.799 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.857 36.433 -6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.363 35.637 -6.815 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.036 35.715 -4.371 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.563 36.596 -4.018 1.00 0.00 H new ATOM 992 N GLY A 64 -5.768 32.816 -6.139 1.00 0.00 N ATOM 993 CA GLY A 64 -6.877 31.911 -5.851 1.00 0.00 C ATOM 994 C GLY A 64 -6.529 30.899 -4.766 1.00 0.00 C ATOM 995 O GLY A 64 -7.155 30.880 -3.710 1.00 0.00 O ATOM 0 H GLY A 64 -5.528 32.887 -7.128 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.745 32.491 -5.539 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.158 31.382 -6.762 1.00 0.00 H new ATOM 999 N LEU A 65 -5.541 30.051 -5.036 1.00 0.00 N ATOM 1000 CA LEU A 65 -5.140 29.030 -4.071 1.00 0.00 C ATOM 1001 C LEU A 65 -4.750 29.644 -2.730 1.00 0.00 C ATOM 1002 O LEU A 65 -5.220 29.199 -1.682 1.00 0.00 O ATOM 1003 CB LEU A 65 -3.971 28.215 -4.629 1.00 0.00 C ATOM 1004 CG LEU A 65 -4.427 27.468 -5.887 1.00 0.00 C ATOM 1005 CD1 LEU A 65 -3.277 26.606 -6.416 1.00 0.00 C ATOM 1006 CD2 LEU A 65 -5.623 26.570 -5.542 1.00 0.00 C ATOM 0 H LEU A 65 -5.008 30.049 -5.905 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.996 28.376 -3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.135 28.873 -4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.617 27.507 -3.880 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.721 28.188 -6.651 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.602 26.075 -7.311 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.427 27.243 -6.661 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.982 25.885 -5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.948 26.038 -6.436 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.329 25.850 -4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.442 27.183 -5.166 1.00 0.00 H new ATOM 1018 N ARG A 66 -3.894 30.661 -2.762 1.00 0.00 N ATOM 1019 CA ARG A 66 -3.460 31.314 -1.529 1.00 0.00 C ATOM 1020 C ARG A 66 -4.660 31.854 -0.757 1.00 0.00 C ATOM 1021 O ARG A 66 -4.834 31.565 0.427 1.00 0.00 O ATOM 1022 CB ARG A 66 -2.501 32.462 -1.860 1.00 0.00 C ATOM 1023 CG ARG A 66 -1.226 31.900 -2.495 1.00 0.00 C ATOM 1024 CD ARG A 66 -0.259 33.045 -2.807 1.00 0.00 C ATOM 1025 NE ARG A 66 0.258 33.626 -1.571 1.00 0.00 N ATOM 1026 CZ ARG A 66 1.229 33.034 -0.877 1.00 0.00 C ATOM 1027 NH1 ARG A 66 1.740 31.906 -1.291 1.00 0.00 N ATOM 1028 NH2 ARG A 66 1.669 33.583 0.221 1.00 0.00 N ATOM 0 H ARG A 66 -3.491 31.048 -3.616 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.947 30.579 -0.909 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.980 33.164 -2.542 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.254 33.016 -0.954 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.755 31.187 -1.819 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.471 31.359 -3.409 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.566 32.677 -3.416 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.769 33.811 -3.391 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.133 34.505 -1.231 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.396 31.475 -2.149 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.483 31.456 -0.757 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.270 34.463 0.546 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.412 33.132 0.754 1.00 0.00 H new ATOM 1042 N MET A 67 -5.486 32.635 -1.448 1.00 0.00 N ATOM 1043 CA MET A 67 -6.680 33.217 -0.842 1.00 0.00 C ATOM 1044 C MET A 67 -7.644 32.137 -0.363 1.00 0.00 C ATOM 1045 O MET A 67 -8.148 32.191 0.760 1.00 0.00 O ATOM 1046 CB MET A 67 -7.381 34.116 -1.865 1.00 0.00 C ATOM 1047 CG MET A 67 -8.780 34.480 -1.363 1.00 0.00 C ATOM 1048 SD MET A 67 -9.505 35.738 -2.446 1.00 0.00 S ATOM 1049 CE MET A 67 -8.369 37.088 -2.042 1.00 0.00 C ATOM 0 H MET A 67 -5.350 32.880 -2.429 1.00 0.00 H new ATOM 0 HA MET A 67 -6.373 33.803 0.024 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.796 35.021 -2.028 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.451 33.604 -2.825 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.413 33.593 -1.344 1.00 0.00 H new ATOM 0 HG3 MET A 67 -8.725 34.854 -0.341 1.00 0.00 H new ATOM 0 HE1 MET A 67 -8.752 38.022 -2.454 1.00 0.00 H new ATOM 0 HE2 MET A 67 -8.282 37.178 -0.959 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.388 36.878 -2.469 1.00 0.00 H new ATOM 1059 N MET A 68 -7.907 31.169 -1.233 1.00 0.00 N ATOM 1060 CA MET A 68 -8.825 30.085 -0.916 1.00 0.00 C ATOM 1061 C MET A 68 -8.335 29.266 0.273 1.00 0.00 C ATOM 1062 O MET A 68 -9.130 28.878 1.127 1.00 0.00 O ATOM 1063 CB MET A 68 -8.999 29.196 -2.151 1.00 0.00 C ATOM 1064 CG MET A 68 -9.564 27.828 -1.753 1.00 0.00 C ATOM 1065 SD MET A 68 -10.200 26.988 -3.224 1.00 0.00 S ATOM 1066 CE MET A 68 -8.610 26.742 -4.050 1.00 0.00 C ATOM 0 H MET A 68 -7.496 31.114 -2.165 1.00 0.00 H new ATOM 0 HA MET A 68 -9.787 30.513 -0.636 1.00 0.00 H new ATOM 0 HB2 MET A 68 -9.668 29.679 -2.863 1.00 0.00 H new ATOM 0 HB3 MET A 68 -8.040 29.068 -2.652 1.00 0.00 H new ATOM 0 HG2 MET A 68 -8.787 27.224 -1.283 1.00 0.00 H new ATOM 0 HG3 MET A 68 -10.360 27.951 -1.018 1.00 0.00 H new ATOM 0 HE1 MET A 68 -8.717 25.985 -4.827 1.00 0.00 H new ATOM 0 HE2 MET A 68 -8.285 27.680 -4.500 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.869 26.413 -3.322 1.00 0.00 H new ATOM 1076 N MET A 69 -7.030 29.008 0.333 1.00 0.00 N ATOM 1077 CA MET A 69 -6.474 28.233 1.439 1.00 0.00 C ATOM 1078 C MET A 69 -6.958 28.801 2.771 1.00 0.00 C ATOM 1079 O MET A 69 -7.601 28.107 3.558 1.00 0.00 O ATOM 1080 CB MET A 69 -4.943 28.268 1.385 1.00 0.00 C ATOM 1081 CG MET A 69 -4.365 27.335 2.453 1.00 0.00 C ATOM 1082 SD MET A 69 -2.562 27.486 2.478 1.00 0.00 S ATOM 1083 CE MET A 69 -2.474 29.105 3.283 1.00 0.00 C ATOM 0 H MET A 69 -6.348 29.318 -0.359 1.00 0.00 H new ATOM 0 HA MET A 69 -6.810 27.200 1.350 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.598 27.963 0.397 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.587 29.286 1.547 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.775 27.587 3.431 1.00 0.00 H new ATOM 0 HG3 MET A 69 -4.651 26.304 2.243 1.00 0.00 H new ATOM 0 HE1 MET A 69 -1.791 29.053 4.131 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.113 29.846 2.570 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.466 29.392 3.633 1.00 0.00 H new ATOM 1093 N ARG A 70 -6.659 30.075 3.002 1.00 0.00 N ATOM 1094 CA ARG A 70 -7.080 30.747 4.226 1.00 0.00 C ATOM 1095 C ARG A 70 -8.604 30.754 4.343 1.00 0.00 C ATOM 1096 O ARG A 70 -9.156 30.575 5.430 1.00 0.00 O ATOM 1097 CB ARG A 70 -6.557 32.188 4.230 1.00 0.00 C ATOM 1098 CG ARG A 70 -6.888 32.858 5.567 1.00 0.00 C ATOM 1099 CD ARG A 70 -6.333 34.284 5.575 1.00 0.00 C ATOM 1100 NE ARG A 70 -7.062 35.114 4.619 1.00 0.00 N ATOM 1101 CZ ARG A 70 -6.634 36.332 4.290 1.00 0.00 C ATOM 1102 NH1 ARG A 70 -5.546 36.813 4.826 1.00 0.00 N ATOM 1103 NH2 ARG A 70 -7.307 37.045 3.430 1.00 0.00 N ATOM 0 H ARG A 70 -6.128 30.662 2.359 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.669 30.205 5.078 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.479 32.194 4.067 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.006 32.750 3.411 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.967 32.876 5.720 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.459 32.285 6.389 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.417 34.709 6.575 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.273 34.271 5.322 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.917 34.753 4.195 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.020 36.256 5.499 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.221 37.746 4.572 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.158 36.670 3.012 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.982 37.978 3.176 1.00 0.00 H new ATOM 1117 N MET A 71 -9.272 30.973 3.211 1.00 0.00 N ATOM 1118 CA MET A 71 -10.728 31.019 3.173 1.00 0.00 C ATOM 1119 C MET A 71 -11.328 29.687 3.596 1.00 0.00 C ATOM 1120 O MET A 71 -12.371 29.647 4.247 1.00 0.00 O ATOM 1121 CB MET A 71 -11.199 31.369 1.757 1.00 0.00 C ATOM 1122 CG MET A 71 -12.698 31.679 1.768 1.00 0.00 C ATOM 1123 SD MET A 71 -12.967 33.341 2.434 1.00 0.00 S ATOM 1124 CE MET A 71 -13.457 34.136 0.883 1.00 0.00 C ATOM 0 H MET A 71 -8.824 31.121 2.307 1.00 0.00 H new ATOM 0 HA MET A 71 -11.063 31.785 3.872 1.00 0.00 H new ATOM 0 HB2 MET A 71 -10.644 32.229 1.382 1.00 0.00 H new ATOM 0 HB3 MET A 71 -10.996 30.538 1.081 1.00 0.00 H new ATOM 0 HG2 MET A 71 -13.102 31.611 0.758 1.00 0.00 H new ATOM 0 HG3 MET A 71 -13.228 30.943 2.373 1.00 0.00 H new ATOM 0 HE1 MET A 71 -13.673 35.188 1.066 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.646 34.053 0.159 1.00 0.00 H new ATOM 0 HE3 MET A 71 -14.347 33.646 0.488 1.00 0.00 H new ATOM 1134 N MET A 72 -10.672 28.595 3.215 1.00 0.00 N ATOM 1135 CA MET A 72 -11.172 27.273 3.556 1.00 0.00 C ATOM 1136 C MET A 72 -11.342 27.124 5.062 1.00 0.00 C ATOM 1137 O MET A 72 -12.409 26.737 5.539 1.00 0.00 O ATOM 1138 CB MET A 72 -10.219 26.191 3.039 1.00 0.00 C ATOM 1139 CG MET A 72 -10.403 26.014 1.529 1.00 0.00 C ATOM 1140 SD MET A 72 -12.121 25.563 1.184 1.00 0.00 S ATOM 1141 CE MET A 72 -12.160 24.050 2.177 1.00 0.00 C ATOM 0 H MET A 72 -9.805 28.601 2.678 1.00 0.00 H new ATOM 0 HA MET A 72 -12.146 27.153 3.081 1.00 0.00 H new ATOM 0 HB2 MET A 72 -9.188 26.467 3.259 1.00 0.00 H new ATOM 0 HB3 MET A 72 -10.413 25.248 3.551 1.00 0.00 H new ATOM 0 HG2 MET A 72 -10.146 26.937 1.009 1.00 0.00 H new ATOM 0 HG3 MET A 72 -9.730 25.241 1.157 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.915 23.372 1.778 1.00 0.00 H new ATOM 0 HE2 MET A 72 -11.184 23.567 2.142 1.00 0.00 H new ATOM 0 HE3 MET A 72 -12.405 24.299 3.209 1.00 0.00 H new ATOM 1151 N GLN A 73 -10.288 27.444 5.804 1.00 0.00 N ATOM 1152 CA GLN A 73 -10.339 27.350 7.258 1.00 0.00 C ATOM 1153 C GLN A 73 -11.421 28.270 7.808 1.00 0.00 C ATOM 1154 O GLN A 73 -12.174 27.898 8.703 1.00 0.00 O ATOM 1155 CB GLN A 73 -8.979 27.722 7.858 1.00 0.00 C ATOM 1156 CG GLN A 73 -7.892 26.816 7.272 1.00 0.00 C ATOM 1157 CD GLN A 73 -8.337 25.360 7.334 1.00 0.00 C ATOM 1158 OE1 GLN A 73 -8.421 24.779 8.416 1.00 0.00 O ATOM 1159 NE2 GLN A 73 -8.644 24.739 6.230 1.00 0.00 N ATOM 0 H GLN A 73 -9.397 27.767 5.428 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.578 26.323 7.534 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.750 28.766 7.645 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.008 27.617 8.943 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.689 27.099 6.239 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.962 26.945 7.826 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.573 25.224 5.335 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.955 23.768 6.261 1.00 0.00 H new ATOM 1168 N GLN A 74 -11.491 29.477 7.256 1.00 0.00 N ATOM 1169 CA GLN A 74 -12.481 30.455 7.686 1.00 0.00 C ATOM 1170 C GLN A 74 -13.905 29.955 7.440 1.00 0.00 C ATOM 1171 O GLN A 74 -14.787 30.134 8.282 1.00 0.00 O ATOM 1172 CB GLN A 74 -12.254 31.778 6.952 1.00 0.00 C ATOM 1173 CG GLN A 74 -13.526 32.626 7.030 1.00 0.00 C ATOM 1174 CD GLN A 74 -14.245 32.602 5.687 1.00 0.00 C ATOM 1175 OE1 GLN A 74 -15.001 33.519 5.367 1.00 0.00 O ATOM 1176 NE2 GLN A 74 -14.053 31.597 4.881 1.00 0.00 N ATOM 0 H GLN A 74 -10.874 29.800 6.511 1.00 0.00 H new ATOM 0 HA GLN A 74 -12.363 30.608 8.759 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -11.417 32.315 7.398 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -11.993 31.589 5.911 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -14.182 32.243 7.811 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.274 33.652 7.300 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -13.425 30.840 5.151 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -14.530 31.567 3.980 1.00 0.00 H new ATOM 1185 N LYS A 75 -14.127 29.345 6.282 1.00 0.00 N ATOM 1186 CA LYS A 75 -15.452 28.846 5.934 1.00 0.00 C ATOM 1187 C LYS A 75 -15.948 27.860 6.986 1.00 0.00 C ATOM 1188 O LYS A 75 -17.100 27.922 7.418 1.00 0.00 O ATOM 1189 CB LYS A 75 -15.396 28.157 4.565 1.00 0.00 C ATOM 1190 CG LYS A 75 -16.805 27.741 4.123 1.00 0.00 C ATOM 1191 CD LYS A 75 -17.574 28.967 3.622 1.00 0.00 C ATOM 1192 CE LYS A 75 -18.912 28.525 3.025 1.00 0.00 C ATOM 1193 NZ LYS A 75 -18.669 27.777 1.758 1.00 0.00 N ATOM 0 H LYS A 75 -13.412 29.185 5.572 1.00 0.00 H new ATOM 0 HA LYS A 75 -16.144 29.687 5.894 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.960 28.831 3.828 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.750 27.281 4.617 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.742 26.992 3.334 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.337 27.282 4.956 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.743 29.663 4.443 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.986 29.496 2.872 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.448 27.895 3.734 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.541 29.394 2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -19.503 27.857 1.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.841 28.176 1.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.494 26.775 1.975 1.00 0.00 H new ATOM 1207 N GLU A 76 -15.065 26.959 7.394 1.00 0.00 N ATOM 1208 CA GLU A 76 -15.409 25.960 8.403 1.00 0.00 C ATOM 1209 C GLU A 76 -14.156 25.247 8.905 1.00 0.00 C ATOM 1210 O GLU A 76 -13.896 24.104 8.528 1.00 0.00 O ATOM 1211 CB GLU A 76 -16.392 24.938 7.814 1.00 0.00 C ATOM 1212 CG GLU A 76 -16.922 24.022 8.926 1.00 0.00 C ATOM 1213 CD GLU A 76 -17.800 24.809 9.901 1.00 0.00 C ATOM 1214 OE1 GLU A 76 -18.377 25.804 9.489 1.00 0.00 O ATOM 1215 OE2 GLU A 76 -17.883 24.404 11.049 1.00 0.00 O ATOM 0 H GLU A 76 -14.108 26.897 7.045 1.00 0.00 H new ATOM 0 HA GLU A 76 -15.879 26.467 9.245 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -17.221 25.455 7.330 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.896 24.344 7.047 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.497 23.206 8.489 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.087 23.572 9.463 1.00 0.00 H new ATOM 1222 N MET A 77 -13.372 25.924 9.741 1.00 0.00 N ATOM 1223 CA MET A 77 -12.147 25.328 10.265 1.00 0.00 C ATOM 1224 C MET A 77 -12.448 24.011 10.983 1.00 0.00 C ATOM 1225 O MET A 77 -12.716 23.996 12.186 1.00 0.00 O ATOM 1226 CB MET A 77 -11.462 26.299 11.235 1.00 0.00 C ATOM 1227 CG MET A 77 -10.085 25.753 11.626 1.00 0.00 C ATOM 1228 SD MET A 77 -9.328 26.848 12.851 1.00 0.00 S ATOM 1229 CE MET A 77 -7.739 25.990 12.973 1.00 0.00 C ATOM 0 H MET A 77 -13.560 26.872 10.066 1.00 0.00 H new ATOM 0 HA MET A 77 -11.481 25.124 9.426 1.00 0.00 H new ATOM 0 HB2 MET A 77 -11.357 27.279 10.770 1.00 0.00 H new ATOM 0 HB3 MET A 77 -12.077 26.433 12.125 1.00 0.00 H new ATOM 0 HG2 MET A 77 -10.183 24.747 12.033 1.00 0.00 H new ATOM 0 HG3 MET A 77 -9.447 25.679 10.745 1.00 0.00 H new ATOM 0 HE1 MET A 77 -7.101 26.506 13.690 1.00 0.00 H new ATOM 0 HE2 MET A 77 -7.903 24.965 13.306 1.00 0.00 H new ATOM 0 HE3 MET A 77 -7.254 25.981 11.997 1.00 0.00 H new ATOM 1239 N GLN A 78 -12.382 22.907 10.241 1.00 0.00 N ATOM 1240 CA GLN A 78 -12.627 21.588 10.818 1.00 0.00 C ATOM 1241 C GLN A 78 -11.652 21.335 11.966 1.00 0.00 C ATOM 1242 O GLN A 78 -10.511 21.794 11.919 1.00 0.00 O ATOM 1243 CB GLN A 78 -12.465 20.506 9.747 1.00 0.00 C ATOM 1244 CG GLN A 78 -13.297 20.874 8.514 1.00 0.00 C ATOM 1245 CD GLN A 78 -13.844 19.612 7.854 1.00 0.00 C ATOM 1246 OE1 GLN A 78 -13.079 18.721 7.489 1.00 0.00 O ATOM 1247 NE2 GLN A 78 -15.131 19.485 7.679 1.00 0.00 N ATOM 0 H GLN A 78 -12.162 22.900 9.245 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.647 21.554 11.201 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.415 20.406 9.473 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.785 19.541 10.139 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.120 21.528 8.803 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -12.683 21.428 7.804 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -15.763 20.226 7.983 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -15.505 18.645 7.238 1.00 0.00 H new ATOM 1256 N PRO A 79 -12.060 20.622 12.988 1.00 0.00 N ATOM 1257 CA PRO A 79 -11.186 20.323 14.141 1.00 0.00 C ATOM 1258 C PRO A 79 -10.463 18.998 13.956 1.00 0.00 C ATOM 1259 O PRO A 79 -11.070 17.929 13.999 1.00 0.00 O ATOM 1260 CB PRO A 79 -12.186 20.240 15.285 1.00 0.00 C ATOM 1261 CG PRO A 79 -13.407 19.642 14.664 1.00 0.00 C ATOM 1262 CD PRO A 79 -13.384 20.017 13.172 1.00 0.00 C ATOM 0 HA PRO A 79 -10.398 21.060 14.294 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.809 19.620 16.099 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.394 21.225 15.704 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -13.412 18.559 14.789 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -14.309 20.023 15.143 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -13.516 19.141 12.537 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -14.182 20.716 12.922 1.00 0.00 H new ATOM 1270 N ARG A 80 -9.163 19.091 13.759 1.00 0.00 N ATOM 1271 CA ARG A 80 -8.330 17.912 13.574 1.00 0.00 C ATOM 1272 C ARG A 80 -6.869 18.328 13.468 1.00 0.00 C ATOM 1273 O ARG A 80 -6.528 19.199 12.666 1.00 0.00 O ATOM 1274 CB ARG A 80 -8.752 17.151 12.312 1.00 0.00 C ATOM 1275 CG ARG A 80 -9.331 15.787 12.706 1.00 0.00 C ATOM 1276 CD ARG A 80 -10.347 15.338 11.654 1.00 0.00 C ATOM 1277 NE ARG A 80 -11.598 16.071 11.821 1.00 0.00 N ATOM 1278 CZ ARG A 80 -12.511 15.696 12.715 1.00 0.00 C ATOM 1279 NH1 ARG A 80 -12.303 14.650 13.469 1.00 0.00 N ATOM 1280 NH2 ARG A 80 -13.615 16.379 12.841 1.00 0.00 N ATOM 0 H ARG A 80 -8.655 19.975 13.722 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.455 17.253 14.433 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -9.494 17.727 11.759 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -7.895 17.017 11.652 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -8.531 15.052 12.791 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -9.809 15.852 13.683 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -9.947 15.509 10.655 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -10.529 14.267 11.746 1.00 0.00 H new ATOM 0 HE ARG A 80 -11.777 16.890 11.239 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -11.439 14.117 13.374 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.005 14.366 14.152 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -13.777 17.198 12.256 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.316 16.094 13.525 1.00 0.00 H new ATOM 1294 N GLY A 81 -6.005 17.719 14.274 1.00 0.00 N ATOM 1295 CA GLY A 81 -4.591 18.070 14.236 1.00 0.00 C ATOM 1296 C GLY A 81 -3.821 17.209 13.237 1.00 0.00 C ATOM 1297 O GLY A 81 -3.431 17.684 12.173 1.00 0.00 O ATOM 0 H GLY A 81 -6.252 16.995 14.948 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.484 19.121 13.968 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.159 17.949 15.229 1.00 0.00 H new ATOM 1301 N GLU A 82 -3.598 15.949 13.597 1.00 0.00 N ATOM 1302 CA GLU A 82 -2.857 15.025 12.739 1.00 0.00 C ATOM 1303 C GLU A 82 -3.551 14.785 11.397 1.00 0.00 C ATOM 1304 O GLU A 82 -2.894 14.716 10.357 1.00 0.00 O ATOM 1305 CB GLU A 82 -2.672 13.685 13.458 1.00 0.00 C ATOM 1306 CG GLU A 82 -1.759 13.874 14.679 1.00 0.00 C ATOM 1307 CD GLU A 82 -2.531 14.492 15.848 1.00 0.00 C ATOM 1308 OE1 GLU A 82 -3.739 14.319 15.906 1.00 0.00 O ATOM 1309 OE2 GLU A 82 -1.899 15.135 16.671 1.00 0.00 O ATOM 0 H GLU A 82 -3.919 15.543 14.476 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.891 15.485 12.533 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.639 13.293 13.772 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.238 12.953 12.777 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.344 12.912 14.980 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.918 14.515 14.414 1.00 0.00 H new ATOM 1316 N GLN A 83 -4.872 14.624 11.427 1.00 0.00 N ATOM 1317 CA GLN A 83 -5.629 14.353 10.204 1.00 0.00 C ATOM 1318 C GLN A 83 -5.458 15.463 9.167 1.00 0.00 C ATOM 1319 O GLN A 83 -4.903 15.235 8.090 1.00 0.00 O ATOM 1320 CB GLN A 83 -7.114 14.198 10.551 1.00 0.00 C ATOM 1321 CG GLN A 83 -7.907 13.804 9.301 1.00 0.00 C ATOM 1322 CD GLN A 83 -7.535 12.391 8.863 1.00 0.00 C ATOM 1323 OE1 GLN A 83 -7.409 11.493 9.696 1.00 0.00 O ATOM 1324 NE2 GLN A 83 -7.353 12.140 7.597 1.00 0.00 N ATOM 0 H GLN A 83 -5.437 14.675 12.275 1.00 0.00 H new ATOM 0 HA GLN A 83 -5.243 13.432 9.768 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.238 13.440 11.324 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.500 15.133 10.957 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -8.976 13.859 9.508 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.702 14.508 8.495 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -7.458 12.886 6.909 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -7.106 11.198 7.294 1.00 0.00 H new ATOM 1333 N MET A 84 -5.938 16.657 9.495 1.00 0.00 N ATOM 1334 CA MET A 84 -5.840 17.793 8.583 1.00 0.00 C ATOM 1335 C MET A 84 -4.388 18.163 8.284 1.00 0.00 C ATOM 1336 O MET A 84 -4.077 18.615 7.182 1.00 0.00 O ATOM 1337 CB MET A 84 -6.587 18.996 9.154 1.00 0.00 C ATOM 1338 CG MET A 84 -8.100 18.767 9.018 1.00 0.00 C ATOM 1339 SD MET A 84 -8.987 20.194 9.694 1.00 0.00 S ATOM 1340 CE MET A 84 -8.583 21.371 8.380 1.00 0.00 C ATOM 0 H MET A 84 -6.397 16.864 10.382 1.00 0.00 H new ATOM 0 HA MET A 84 -6.302 17.497 7.641 1.00 0.00 H new ATOM 0 HB2 MET A 84 -6.322 19.139 10.202 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.296 19.904 8.625 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.365 18.623 7.970 1.00 0.00 H new ATOM 0 HG3 MET A 84 -8.391 17.860 9.548 1.00 0.00 H new ATOM 0 HE1 MET A 84 -7.906 22.132 8.769 1.00 0.00 H new ATOM 0 HE2 MET A 84 -8.102 20.845 7.555 1.00 0.00 H new ATOM 0 HE3 MET A 84 -9.497 21.846 8.024 1.00 0.00 H new ATOM 1350 N ARG A 85 -3.500 17.980 9.262 1.00 0.00 N ATOM 1351 CA ARG A 85 -2.090 18.313 9.057 1.00 0.00 C ATOM 1352 C ARG A 85 -1.578 17.648 7.786 1.00 0.00 C ATOM 1353 O ARG A 85 -0.970 18.298 6.935 1.00 0.00 O ATOM 1354 CB ARG A 85 -1.258 17.851 10.257 1.00 0.00 C ATOM 1355 CG ARG A 85 0.214 18.216 10.045 1.00 0.00 C ATOM 1356 CD ARG A 85 1.024 17.790 11.272 1.00 0.00 C ATOM 1357 NE ARG A 85 1.043 16.333 11.381 1.00 0.00 N ATOM 1358 CZ ARG A 85 1.040 15.721 12.565 1.00 0.00 C ATOM 1359 NH1 ARG A 85 1.036 16.419 13.670 1.00 0.00 N ATOM 1360 NH2 ARG A 85 1.044 14.418 12.621 1.00 0.00 N ATOM 0 H ARG A 85 -3.725 17.611 10.186 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.996 19.394 8.957 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.629 18.318 11.169 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.359 16.773 10.387 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.598 17.722 9.152 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.315 19.289 9.884 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.043 18.170 11.194 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.590 18.224 12.173 1.00 0.00 H new ATOM 0 HE ARG A 85 1.059 15.771 10.530 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.035 17.438 13.629 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.034 15.945 14.573 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.049 13.871 11.760 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.042 13.946 13.525 1.00 0.00 H new ATOM 1374 N ARG A 86 -1.853 16.354 7.650 1.00 0.00 N ATOM 1375 CA ARG A 86 -1.444 15.615 6.462 1.00 0.00 C ATOM 1376 C ARG A 86 -2.105 16.214 5.225 1.00 0.00 C ATOM 1377 O ARG A 86 -1.501 16.289 4.153 1.00 0.00 O ATOM 1378 CB ARG A 86 -1.839 14.142 6.597 1.00 0.00 C ATOM 1379 CG ARG A 86 -1.065 13.506 7.756 1.00 0.00 C ATOM 1380 CD ARG A 86 -1.432 12.024 7.865 1.00 0.00 C ATOM 1381 NE ARG A 86 -0.911 11.284 6.717 1.00 0.00 N ATOM 1382 CZ ARG A 86 0.376 10.955 6.628 1.00 0.00 C ATOM 1383 NH1 ARG A 86 1.209 11.292 7.576 1.00 0.00 N ATOM 1384 NH2 ARG A 86 0.806 10.293 5.589 1.00 0.00 N ATOM 0 H ARG A 86 -2.354 15.799 8.344 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.361 15.684 6.359 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.911 14.057 6.773 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.625 13.611 5.669 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.007 13.615 7.594 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.300 14.019 8.689 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.026 11.609 8.788 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.515 11.914 7.916 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.548 11.014 5.967 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.874 11.809 8.389 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.194 11.038 7.503 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.157 10.029 4.848 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.791 10.039 5.518 1.00 0.00 H new ATOM 1398 N MET A 87 -3.361 16.630 5.391 1.00 0.00 N ATOM 1399 CA MET A 87 -4.132 17.216 4.299 1.00 0.00 C ATOM 1400 C MET A 87 -3.419 18.416 3.681 1.00 0.00 C ATOM 1401 O MET A 87 -3.616 18.716 2.507 1.00 0.00 O ATOM 1402 CB MET A 87 -5.508 17.660 4.791 1.00 0.00 C ATOM 1403 CG MET A 87 -6.439 17.849 3.589 1.00 0.00 C ATOM 1404 SD MET A 87 -7.698 19.089 3.987 1.00 0.00 S ATOM 1405 CE MET A 87 -8.543 18.171 5.296 1.00 0.00 C ATOM 0 H MET A 87 -3.866 16.571 6.275 1.00 0.00 H new ATOM 0 HA MET A 87 -4.240 16.443 3.538 1.00 0.00 H new ATOM 0 HB2 MET A 87 -5.921 16.916 5.472 1.00 0.00 H new ATOM 0 HB3 MET A 87 -5.424 18.592 5.350 1.00 0.00 H new ATOM 0 HG2 MET A 87 -5.865 18.165 2.718 1.00 0.00 H new ATOM 0 HG3 MET A 87 -6.914 16.903 3.332 1.00 0.00 H new ATOM 0 HE1 MET A 87 -9.070 18.868 5.948 1.00 0.00 H new ATOM 0 HE2 MET A 87 -9.258 17.479 4.852 1.00 0.00 H new ATOM 0 HE3 MET A 87 -7.811 17.612 5.879 1.00 0.00 H new ATOM 1415 N MET A 88 -2.611 19.119 4.474 1.00 0.00 N ATOM 1416 CA MET A 88 -1.911 20.291 3.964 1.00 0.00 C ATOM 1417 C MET A 88 -1.314 19.991 2.593 1.00 0.00 C ATOM 1418 O MET A 88 -1.621 20.673 1.613 1.00 0.00 O ATOM 1419 CB MET A 88 -0.803 20.680 4.940 1.00 0.00 C ATOM 1420 CG MET A 88 -1.427 21.158 6.256 1.00 0.00 C ATOM 1421 SD MET A 88 -0.166 21.175 7.555 1.00 0.00 S ATOM 1422 CE MET A 88 1.129 21.997 6.599 1.00 0.00 C ATOM 0 H MET A 88 -2.429 18.901 5.454 1.00 0.00 H new ATOM 0 HA MET A 88 -2.616 21.117 3.864 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.149 19.827 5.124 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.185 21.469 4.510 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.847 22.156 6.130 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.248 20.500 6.541 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.835 22.475 7.278 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.653 21.261 5.989 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.681 22.751 5.952 1.00 0.00 H new ATOM 1432 N ARG A 89 -0.492 18.950 2.523 1.00 0.00 N ATOM 1433 CA ARG A 89 0.107 18.547 1.254 1.00 0.00 C ATOM 1434 C ARG A 89 -0.986 18.153 0.260 1.00 0.00 C ATOM 1435 O ARG A 89 -0.905 18.464 -0.929 1.00 0.00 O ATOM 1436 CB ARG A 89 1.057 17.365 1.476 1.00 0.00 C ATOM 1437 CG ARG A 89 2.192 17.781 2.419 1.00 0.00 C ATOM 1438 CD ARG A 89 3.109 18.788 1.717 1.00 0.00 C ATOM 1439 NE ARG A 89 4.249 19.113 2.568 1.00 0.00 N ATOM 1440 CZ ARG A 89 4.146 19.992 3.564 1.00 0.00 C ATOM 1441 NH1 ARG A 89 3.006 20.582 3.804 1.00 0.00 N ATOM 1442 NH2 ARG A 89 5.186 20.261 4.303 1.00 0.00 N ATOM 0 H ARG A 89 -0.226 18.374 3.322 1.00 0.00 H new ATOM 0 HA ARG A 89 0.671 19.387 0.848 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.511 16.522 1.899 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.467 17.032 0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.780 18.222 3.326 1.00 0.00 H new ATOM 0 HG3 ARG A 89 2.764 16.904 2.722 1.00 0.00 H new ATOM 0 HD2 ARG A 89 3.459 18.374 0.771 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.552 19.695 1.481 1.00 0.00 H new ATOM 0 HE ARG A 89 5.145 18.657 2.396 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.191 20.370 3.228 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.930 21.254 4.567 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.076 19.799 4.118 1.00 0.00 H new ATOM 0 HH22 ARG A 89 5.109 20.934 5.066 1.00 0.00 H new ATOM 1456 N LEU A 90 -2.006 17.462 0.772 1.00 0.00 N ATOM 1457 CA LEU A 90 -3.128 17.008 -0.045 1.00 0.00 C ATOM 1458 C LEU A 90 -3.836 18.181 -0.719 1.00 0.00 C ATOM 1459 O LEU A 90 -4.205 18.104 -1.892 1.00 0.00 O ATOM 1460 CB LEU A 90 -4.120 16.263 0.852 1.00 0.00 C ATOM 1461 CG LEU A 90 -5.291 15.728 0.025 1.00 0.00 C ATOM 1462 CD1 LEU A 90 -5.035 14.269 -0.339 1.00 0.00 C ATOM 1463 CD2 LEU A 90 -6.572 15.828 0.852 1.00 0.00 C ATOM 0 H LEU A 90 -2.076 17.204 1.756 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.747 16.350 -0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.616 15.438 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.491 16.932 1.629 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.394 16.314 -0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.870 13.889 -0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.117 14.195 -0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.935 13.679 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.412 15.449 0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.465 15.237 1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.755 16.870 1.116 1.00 0.00 H new ATOM 1475 N ALA A 91 -4.033 19.260 0.033 1.00 0.00 N ATOM 1476 CA ALA A 91 -4.710 20.437 -0.500 1.00 0.00 C ATOM 1477 C ALA A 91 -4.014 20.928 -1.763 1.00 0.00 C ATOM 1478 O ALA A 91 -4.648 21.092 -2.800 1.00 0.00 O ATOM 1479 CB ALA A 91 -4.722 21.549 0.550 1.00 0.00 C ATOM 0 H ALA A 91 -3.736 19.344 1.005 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.735 20.165 -0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.229 22.425 0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.248 21.203 1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.697 21.812 0.813 1.00 0.00 H new ATOM 1485 N GLU A 92 -2.707 21.152 -1.663 1.00 0.00 N ATOM 1486 CA GLU A 92 -1.912 21.617 -2.800 1.00 0.00 C ATOM 1487 C GLU A 92 -1.952 20.615 -3.956 1.00 0.00 C ATOM 1488 O GLU A 92 -1.830 20.997 -5.120 1.00 0.00 O ATOM 1489 CB GLU A 92 -0.461 21.832 -2.360 1.00 0.00 C ATOM 1490 CG GLU A 92 0.361 22.389 -3.529 1.00 0.00 C ATOM 1491 CD GLU A 92 1.123 21.262 -4.226 1.00 0.00 C ATOM 1492 OE1 GLU A 92 1.848 20.552 -3.547 1.00 0.00 O ATOM 1493 OE2 GLU A 92 0.973 21.126 -5.429 1.00 0.00 O ATOM 0 H GLU A 92 -2.173 21.019 -0.804 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.339 22.557 -3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.426 22.523 -1.517 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.032 20.890 -2.018 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.297 22.887 -4.241 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.062 23.140 -3.164 1.00 0.00 H new ATOM 1500 N ASN A 93 -2.097 19.334 -3.628 1.00 0.00 N ATOM 1501 CA ASN A 93 -2.118 18.287 -4.649 1.00 0.00 C ATOM 1502 C ASN A 93 -3.381 18.360 -5.506 1.00 0.00 C ATOM 1503 O ASN A 93 -3.337 18.075 -6.703 1.00 0.00 O ATOM 1504 CB ASN A 93 -2.032 16.910 -3.984 1.00 0.00 C ATOM 1505 CG ASN A 93 -0.706 16.763 -3.243 1.00 0.00 C ATOM 1506 OD1 ASN A 93 0.251 17.486 -3.525 1.00 0.00 O ATOM 1507 ND2 ASN A 93 -0.592 15.866 -2.303 1.00 0.00 N ATOM 0 H ASN A 93 -2.201 18.996 -2.671 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.257 18.441 -5.300 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.861 16.782 -3.289 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.124 16.128 -4.738 1.00 0.00 H new ATOM 0 HD21 ASN A 93 0.290 15.763 -1.801 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -1.385 15.268 -2.070 1.00 0.00 H new ATOM 1514 N ILE A 94 -4.504 18.734 -4.896 1.00 0.00 N ATOM 1515 CA ILE A 94 -5.765 18.829 -5.631 1.00 0.00 C ATOM 1516 C ILE A 94 -5.610 19.712 -6.877 1.00 0.00 C ATOM 1517 O ILE A 94 -5.870 19.264 -7.992 1.00 0.00 O ATOM 1518 CB ILE A 94 -6.869 19.373 -4.711 1.00 0.00 C ATOM 1519 CG1 ILE A 94 -7.407 18.232 -3.838 1.00 0.00 C ATOM 1520 CG2 ILE A 94 -8.016 19.956 -5.547 1.00 0.00 C ATOM 1521 CD1 ILE A 94 -8.183 18.809 -2.651 1.00 0.00 C ATOM 0 H ILE A 94 -4.568 18.974 -3.907 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.048 17.831 -5.965 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.453 20.160 -4.081 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.056 17.585 -4.428 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.582 17.616 -3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.792 20.338 -4.884 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.637 20.768 -6.168 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.435 19.177 -6.184 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.563 17.995 -2.034 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -7.522 19.438 -2.055 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.018 19.406 -3.018 1.00 0.00 H new ATOM 1533 N PRO A 95 -5.188 20.943 -6.711 1.00 0.00 N ATOM 1534 CA PRO A 95 -4.988 21.895 -7.847 1.00 0.00 C ATOM 1535 C PRO A 95 -3.792 21.521 -8.723 1.00 0.00 C ATOM 1536 O PRO A 95 -3.721 21.916 -9.885 1.00 0.00 O ATOM 1537 CB PRO A 95 -4.750 23.241 -7.158 1.00 0.00 C ATOM 1538 CG PRO A 95 -4.226 22.905 -5.806 1.00 0.00 C ATOM 1539 CD PRO A 95 -4.853 21.568 -5.422 1.00 0.00 C ATOM 0 HA PRO A 95 -5.842 21.897 -8.524 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.037 23.848 -7.716 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.673 23.816 -7.090 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.138 22.835 -5.817 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -4.488 23.679 -5.084 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -4.159 20.953 -4.849 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -5.740 21.707 -4.804 1.00 0.00 H new ATOM 1547 N SER A 96 -2.861 20.754 -8.156 1.00 0.00 N ATOM 1548 CA SER A 96 -1.671 20.323 -8.884 1.00 0.00 C ATOM 1549 C SER A 96 -2.102 19.538 -10.096 1.00 0.00 C ATOM 1550 O SER A 96 -1.498 19.598 -11.166 1.00 0.00 O ATOM 1551 CB SER A 96 -0.785 19.454 -7.989 1.00 0.00 C ATOM 1552 OG SER A 96 0.468 19.247 -8.627 1.00 0.00 O ATOM 0 H SER A 96 -2.909 20.419 -7.194 1.00 0.00 H new ATOM 0 HA SER A 96 -1.096 21.197 -9.191 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.639 19.938 -7.023 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.270 18.497 -7.796 1.00 0.00 H new ATOM 0 HG SER A 96 1.038 18.692 -8.055 1.00 0.00 H new ATOM 1558 N ARG A 97 -3.169 18.800 -9.880 1.00 0.00 N ATOM 1559 CA ARG A 97 -3.757 17.965 -10.894 1.00 0.00 C ATOM 1560 C ARG A 97 -4.105 18.755 -12.156 1.00 0.00 C ATOM 1561 O ARG A 97 -3.861 18.289 -13.269 1.00 0.00 O ATOM 1562 CB ARG A 97 -5.010 17.340 -10.300 1.00 0.00 C ATOM 1563 CG ARG A 97 -4.615 16.305 -9.242 1.00 0.00 C ATOM 1564 CD ARG A 97 -5.858 15.552 -8.765 1.00 0.00 C ATOM 1565 NE ARG A 97 -6.855 16.486 -8.253 1.00 0.00 N ATOM 1566 CZ ARG A 97 -8.023 16.059 -7.784 1.00 0.00 C ATOM 1567 NH1 ARG A 97 -8.299 14.782 -7.765 1.00 0.00 N ATOM 1568 NH2 ARG A 97 -8.897 16.918 -7.340 1.00 0.00 N ATOM 0 H ARG A 97 -3.655 18.765 -8.984 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.041 17.200 -11.195 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.637 18.112 -9.853 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.600 16.866 -11.085 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -3.891 15.604 -9.658 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -4.132 16.799 -8.399 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.280 14.976 -9.588 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.583 14.841 -7.986 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.652 17.486 -8.255 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.617 14.108 -8.111 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -9.197 14.460 -7.404 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.684 17.915 -7.353 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.794 16.593 -6.980 1.00 0.00 H new ATOM 1582 N CYS A 98 -4.659 19.957 -11.984 1.00 0.00 N ATOM 1583 CA CYS A 98 -5.010 20.793 -13.122 1.00 0.00 C ATOM 1584 C CYS A 98 -3.996 21.898 -13.290 1.00 0.00 C ATOM 1585 O CYS A 98 -4.070 22.671 -14.245 1.00 0.00 O ATOM 1586 CB CYS A 98 -6.394 21.419 -12.951 1.00 0.00 C ATOM 1587 SG CYS A 98 -7.463 20.301 -12.006 1.00 0.00 S ATOM 0 H CYS A 98 -4.871 20.366 -11.074 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.019 20.153 -14.005 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -6.309 22.376 -12.437 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -6.835 21.620 -13.927 1.00 0.00 H new ATOM 1592 N ASN A 99 -3.062 21.999 -12.345 1.00 0.00 N ATOM 1593 CA ASN A 99 -2.081 23.056 -12.426 1.00 0.00 C ATOM 1594 C ASN A 99 -1.373 23.023 -13.748 1.00 0.00 C ATOM 1595 O ASN A 99 -1.319 22.005 -14.440 1.00 0.00 O ATOM 1596 CB ASN A 99 -1.062 23.041 -11.309 1.00 0.00 C ATOM 1597 CG ASN A 99 -1.625 23.764 -10.089 1.00 0.00 C ATOM 1598 OD1 ASN A 99 -1.398 23.351 -8.952 1.00 0.00 O ATOM 1599 ND2 ASN A 99 -2.348 24.838 -10.264 1.00 0.00 N ATOM 0 H ASN A 99 -2.972 21.378 -11.541 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.647 23.982 -12.321 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.808 22.013 -11.049 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.141 23.524 -11.637 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -2.725 25.336 -9.458 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -2.535 25.179 -11.207 1.00 0.00 H new ATOM 1606 N LEU A 100 -0.926 24.192 -14.115 1.00 0.00 N ATOM 1607 CA LEU A 100 -0.313 24.401 -15.401 1.00 0.00 C ATOM 1608 C LEU A 100 0.763 25.481 -15.320 1.00 0.00 C ATOM 1609 O LEU A 100 0.569 26.509 -14.674 1.00 0.00 O ATOM 1610 CB LEU A 100 -1.442 24.832 -16.345 1.00 0.00 C ATOM 1611 CG LEU A 100 -2.678 25.229 -15.495 1.00 0.00 C ATOM 1612 CD1 LEU A 100 -2.537 26.676 -15.024 1.00 0.00 C ATOM 1613 CD2 LEU A 100 -3.954 25.063 -16.306 1.00 0.00 C ATOM 0 H LEU A 100 -0.976 25.028 -13.532 1.00 0.00 H new ATOM 0 HA LEU A 100 0.178 23.495 -15.756 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.120 25.673 -16.959 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.697 24.019 -17.025 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.734 24.574 -14.625 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.407 26.951 -14.428 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.636 26.775 -14.419 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.467 27.335 -15.889 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.812 25.345 -15.696 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.910 25.702 -17.188 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.056 24.023 -16.616 1.00 0.00 H new ATOM 1625 N SER A 101 1.894 25.222 -15.977 1.00 0.00 N ATOM 1626 CA SER A 101 3.027 26.149 -15.991 1.00 0.00 C ATOM 1627 C SER A 101 2.557 27.598 -16.097 1.00 0.00 C ATOM 1628 O SER A 101 2.274 28.094 -17.189 1.00 0.00 O ATOM 1629 CB SER A 101 3.946 25.822 -17.171 1.00 0.00 C ATOM 1630 OG SER A 101 3.170 25.719 -18.358 1.00 0.00 O ATOM 0 H SER A 101 2.051 24.368 -16.512 1.00 0.00 H new ATOM 0 HA SER A 101 3.571 26.034 -15.053 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.702 26.599 -17.284 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.475 24.887 -16.986 1.00 0.00 H new ATOM 0 HG SER A 101 2.552 26.478 -18.412 1.00 0.00 H new ATOM 1636 N PRO A 102 2.469 28.279 -14.983 1.00 0.00 N ATOM 1637 CA PRO A 102 2.027 29.699 -14.922 1.00 0.00 C ATOM 1638 C PRO A 102 3.158 30.650 -15.303 1.00 0.00 C ATOM 1639 O PRO A 102 4.312 30.431 -14.931 1.00 0.00 O ATOM 1640 CB PRO A 102 1.602 29.885 -13.451 1.00 0.00 C ATOM 1641 CG PRO A 102 1.761 28.540 -12.801 1.00 0.00 C ATOM 1642 CD PRO A 102 2.772 27.781 -13.642 1.00 0.00 C ATOM 0 HA PRO A 102 1.222 29.921 -15.622 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.222 30.633 -12.957 1.00 0.00 H new ATOM 0 HB3 PRO A 102 0.571 30.232 -13.384 1.00 0.00 H new ATOM 0 HG2 PRO A 102 2.109 28.643 -11.773 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.809 28.010 -12.764 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.798 27.999 -13.346 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.641 26.702 -13.566 1.00 0.00 H new ATOM 1650 N MET A 103 2.829 31.697 -16.056 1.00 0.00 N ATOM 1651 CA MET A 103 3.843 32.655 -16.484 1.00 0.00 C ATOM 1652 C MET A 103 4.372 33.459 -15.298 1.00 0.00 C ATOM 1653 O MET A 103 5.569 33.438 -15.011 1.00 0.00 O ATOM 1654 CB MET A 103 3.245 33.608 -17.526 1.00 0.00 C ATOM 1655 CG MET A 103 4.353 34.478 -18.127 1.00 0.00 C ATOM 1656 SD MET A 103 3.618 35.745 -19.193 1.00 0.00 S ATOM 1657 CE MET A 103 2.939 34.633 -20.449 1.00 0.00 C ATOM 0 H MET A 103 1.883 31.901 -16.378 1.00 0.00 H new ATOM 0 HA MET A 103 4.674 32.102 -16.923 1.00 0.00 H new ATOM 0 HB2 MET A 103 2.750 33.038 -18.312 1.00 0.00 H new ATOM 0 HB3 MET A 103 2.486 34.238 -17.063 1.00 0.00 H new ATOM 0 HG2 MET A 103 4.932 34.948 -17.332 1.00 0.00 H new ATOM 0 HG3 MET A 103 5.043 33.860 -18.702 1.00 0.00 H new ATOM 0 HE1 MET A 103 2.855 35.163 -21.398 1.00 0.00 H new ATOM 0 HE2 MET A 103 3.600 33.775 -20.570 1.00 0.00 H new ATOM 0 HE3 MET A 103 1.953 34.290 -20.137 1.00 0.00 H new ATOM 1667 N ARG A 104 3.475 34.164 -14.609 1.00 0.00 N ATOM 1668 CA ARG A 104 3.871 34.966 -13.454 1.00 0.00 C ATOM 1669 C ARG A 104 2.724 35.098 -12.456 1.00 0.00 C ATOM 1670 O ARG A 104 1.570 35.271 -12.848 1.00 0.00 O ATOM 1671 CB ARG A 104 4.308 36.361 -13.917 1.00 0.00 C ATOM 1672 CG ARG A 104 5.796 36.572 -13.613 1.00 0.00 C ATOM 1673 CD ARG A 104 6.025 36.605 -12.096 1.00 0.00 C ATOM 1674 NE ARG A 104 4.934 37.308 -11.422 1.00 0.00 N ATOM 1675 CZ ARG A 104 4.753 38.619 -11.568 1.00 0.00 C ATOM 1676 NH1 ARG A 104 5.556 39.315 -12.326 1.00 0.00 N ATOM 1677 NH2 ARG A 104 3.768 39.211 -10.952 1.00 0.00 N ATOM 0 H ARG A 104 2.479 34.196 -14.828 1.00 0.00 H new ATOM 0 HA ARG A 104 4.702 34.462 -12.960 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.128 36.471 -14.986 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.714 37.123 -13.413 1.00 0.00 H new ATOM 0 HG2 ARG A 104 6.384 35.770 -14.060 1.00 0.00 H new ATOM 0 HG3 ARG A 104 6.138 37.505 -14.061 1.00 0.00 H new ATOM 0 HD2 ARG A 104 6.100 35.587 -11.713 1.00 0.00 H new ATOM 0 HD3 ARG A 104 6.972 37.099 -11.877 1.00 0.00 H new ATOM 0 HE ARG A 104 4.296 36.781 -10.825 1.00 0.00 H new ATOM 0 HH11 ARG A 104 6.327 38.855 -12.810 1.00 0.00 H new ATOM 0 HH12 ARG A 104 5.413 40.319 -12.434 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.138 38.670 -10.360 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.627 40.215 -11.062 1.00 0.00 H new ATOM 1691 N CYS A 105 3.055 35.045 -11.165 1.00 0.00 N ATOM 1692 CA CYS A 105 2.049 35.191 -10.116 1.00 0.00 C ATOM 1693 C CYS A 105 1.944 36.661 -9.696 1.00 0.00 C ATOM 1694 O CYS A 105 2.883 37.211 -9.119 1.00 0.00 O ATOM 1695 CB CYS A 105 2.419 34.333 -8.902 1.00 0.00 C ATOM 1696 SG CYS A 105 1.952 32.609 -9.208 1.00 0.00 S ATOM 0 H CYS A 105 4.006 34.903 -10.824 1.00 0.00 H new ATOM 0 HA CYS A 105 1.087 34.857 -10.505 1.00 0.00 H new ATOM 0 HB2 CYS A 105 3.490 34.401 -8.709 1.00 0.00 H new ATOM 0 HB3 CYS A 105 1.910 34.705 -8.013 1.00 0.00 H new ATOM 1701 N PRO A 106 0.832 37.303 -9.973 1.00 0.00 N ATOM 1702 CA PRO A 106 0.611 38.741 -9.617 1.00 0.00 C ATOM 1703 C PRO A 106 0.624 38.999 -8.117 1.00 0.00 C ATOM 1704 O PRO A 106 0.319 40.104 -7.672 1.00 0.00 O ATOM 1705 CB PRO A 106 -0.760 39.088 -10.199 1.00 0.00 C ATOM 1706 CG PRO A 106 -1.117 37.970 -11.123 1.00 0.00 C ATOM 1707 CD PRO A 106 -0.337 36.739 -10.663 1.00 0.00 C ATOM 0 HA PRO A 106 1.418 39.355 -10.017 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -1.503 39.192 -9.408 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -0.727 40.038 -10.732 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -2.190 37.778 -11.098 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -0.863 38.225 -12.152 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.932 36.114 -9.997 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -0.041 36.115 -11.506 1.00 0.00 H new ATOM 1715 N MET A 107 0.961 37.981 -7.347 1.00 0.00 N ATOM 1716 CA MET A 107 0.990 38.118 -5.904 1.00 0.00 C ATOM 1717 C MET A 107 2.215 38.891 -5.474 1.00 0.00 C ATOM 1718 O MET A 107 3.299 38.335 -5.296 1.00 0.00 O ATOM 1719 CB MET A 107 1.046 36.747 -5.276 1.00 0.00 C ATOM 1720 CG MET A 107 -0.343 36.095 -5.271 1.00 0.00 C ATOM 1721 SD MET A 107 -1.584 37.241 -5.930 1.00 0.00 S ATOM 1722 CE MET A 107 -1.594 36.628 -7.632 1.00 0.00 C ATOM 0 H MET A 107 1.217 37.057 -7.694 1.00 0.00 H new ATOM 0 HA MET A 107 0.094 38.650 -5.585 1.00 0.00 H new ATOM 0 HB2 MET A 107 1.746 36.118 -5.826 1.00 0.00 H new ATOM 0 HB3 MET A 107 1.421 36.824 -4.255 1.00 0.00 H new ATOM 0 HG2 MET A 107 -0.326 35.184 -5.870 1.00 0.00 H new ATOM 0 HG3 MET A 107 -0.611 35.804 -4.255 1.00 0.00 H new ATOM 0 HE1 MET A 107 -1.678 37.468 -8.321 1.00 0.00 H new ATOM 0 HE2 MET A 107 -0.668 36.088 -7.830 1.00 0.00 H new ATOM 0 HE3 MET A 107 -2.442 35.957 -7.772 1.00 0.00 H new ATOM 1732 N GLY A 108 2.017 40.177 -5.312 1.00 0.00 N ATOM 1733 CA GLY A 108 3.087 41.061 -4.898 1.00 0.00 C ATOM 1734 C GLY A 108 4.080 41.285 -6.031 1.00 0.00 C ATOM 1735 O GLY A 108 5.254 41.567 -5.790 1.00 0.00 O ATOM 0 H GLY A 108 1.120 40.640 -5.461 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.671 42.017 -4.580 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.602 40.635 -4.037 1.00 0.00 H new ATOM 1739 N GLY A 109 3.597 41.162 -7.266 1.00 0.00 N ATOM 1740 CA GLY A 109 4.450 41.355 -8.436 1.00 0.00 C ATOM 1741 C GLY A 109 5.723 40.522 -8.324 1.00 0.00 C ATOM 1742 O GLY A 109 6.828 41.066 -8.290 1.00 0.00 O ATOM 0 H GLY A 109 2.627 40.931 -7.481 1.00 0.00 H new ATOM 0 HA2 GLY A 109 3.906 41.075 -9.338 1.00 0.00 H new ATOM 0 HA3 GLY A 109 4.708 42.410 -8.533 1.00 0.00 H new ATOM 1746 N SER A 110 5.558 39.203 -8.257 1.00 0.00 N ATOM 1747 CA SER A 110 6.701 38.299 -8.137 1.00 0.00 C ATOM 1748 C SER A 110 7.720 38.561 -9.243 1.00 0.00 C ATOM 1749 O SER A 110 7.360 38.963 -10.349 1.00 0.00 O ATOM 1750 CB SER A 110 6.224 36.848 -8.212 1.00 0.00 C ATOM 1751 OG SER A 110 5.223 36.629 -7.227 1.00 0.00 O ATOM 0 H SER A 110 4.651 38.738 -8.283 1.00 0.00 H new ATOM 0 HA SER A 110 7.180 38.478 -7.175 1.00 0.00 H new ATOM 0 HB2 SER A 110 5.826 36.635 -9.204 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.062 36.169 -8.052 1.00 0.00 H new ATOM 0 HG SER A 110 4.338 36.783 -7.620 1.00 0.00 H new ATOM 1757 N ILE A 111 8.994 38.326 -8.934 1.00 0.00 N ATOM 1758 CA ILE A 111 10.064 38.536 -9.906 1.00 0.00 C ATOM 1759 C ILE A 111 10.802 37.226 -10.163 1.00 0.00 C ATOM 1760 O ILE A 111 10.939 36.792 -11.307 1.00 0.00 O ATOM 1761 CB ILE A 111 11.046 39.591 -9.386 1.00 0.00 C ATOM 1762 CG1 ILE A 111 10.298 40.911 -9.155 1.00 0.00 C ATOM 1763 CG2 ILE A 111 12.162 39.809 -10.415 1.00 0.00 C ATOM 1764 CD1 ILE A 111 11.230 41.922 -8.478 1.00 0.00 C ATOM 0 H ILE A 111 9.309 37.992 -8.023 1.00 0.00 H new ATOM 0 HA ILE A 111 9.626 38.887 -10.840 1.00 0.00 H new ATOM 0 HB ILE A 111 11.483 39.249 -8.448 1.00 0.00 H new ATOM 0 HG12 ILE A 111 9.942 41.310 -10.105 1.00 0.00 H new ATOM 0 HG13 ILE A 111 9.420 40.738 -8.533 1.00 0.00 H new ATOM 0 HG21 ILE A 111 12.859 40.560 -10.042 1.00 0.00 H new ATOM 0 HG22 ILE A 111 12.693 38.871 -10.580 1.00 0.00 H new ATOM 0 HG23 ILE A 111 11.729 40.151 -11.355 1.00 0.00 H new ATOM 0 HD11 ILE A 111 10.695 42.858 -8.316 1.00 0.00 H new ATOM 0 HD12 ILE A 111 11.564 41.524 -7.520 1.00 0.00 H new ATOM 0 HD13 ILE A 111 12.095 42.104 -9.116 1.00 0.00 H new ATOM 1776 N ALA A 112 11.245 36.587 -9.081 1.00 0.00 N ATOM 1777 CA ALA A 112 11.930 35.313 -9.175 1.00 0.00 C ATOM 1778 C ALA A 112 10.936 34.272 -9.601 1.00 0.00 C ATOM 1779 O ALA A 112 9.816 34.606 -9.992 1.00 0.00 O ATOM 1780 CB ALA A 112 12.509 34.925 -7.816 1.00 0.00 C ATOM 0 H ALA A 112 11.138 36.938 -8.129 1.00 0.00 H new ATOM 0 HA ALA A 112 12.743 35.387 -9.897 1.00 0.00 H new ATOM 0 HB1 ALA A 112 13.021 33.966 -7.899 1.00 0.00 H new ATOM 0 HB2 ALA A 112 13.217 35.688 -7.491 1.00 0.00 H new ATOM 0 HB3 ALA A 112 11.703 34.844 -7.087 1.00 0.00 H new ATOM 1786 N GLY A 113 11.299 33.009 -9.483 1.00 0.00 N ATOM 1787 CA GLY A 113 10.341 31.998 -9.827 1.00 0.00 C ATOM 1788 C GLY A 113 9.351 31.902 -8.682 1.00 0.00 C ATOM 1789 O GLY A 113 9.599 31.234 -7.677 1.00 0.00 O ATOM 0 H GLY A 113 12.210 32.676 -9.166 1.00 0.00 H new ATOM 0 HA2 GLY A 113 9.830 32.253 -10.755 1.00 0.00 H new ATOM 0 HA3 GLY A 113 10.835 31.040 -9.988 1.00 0.00 H new ATOM 1793 N PHE A 114 8.241 32.610 -8.847 1.00 0.00 N ATOM 1794 CA PHE A 114 7.192 32.660 -7.832 1.00 0.00 C ATOM 1795 C PHE A 114 6.970 31.290 -7.186 1.00 0.00 C ATOM 1796 O PHE A 114 6.787 31.249 -5.981 1.00 0.00 O ATOM 1797 CB PHE A 114 5.883 33.160 -8.456 1.00 0.00 C ATOM 1798 CG PHE A 114 5.493 32.271 -9.615 1.00 0.00 C ATOM 1799 CD1 PHE A 114 6.012 32.518 -10.893 1.00 0.00 C ATOM 1800 CD2 PHE A 114 4.615 31.199 -9.413 1.00 0.00 C ATOM 1801 CE1 PHE A 114 5.653 31.694 -11.965 1.00 0.00 C ATOM 1802 CE2 PHE A 114 4.256 30.376 -10.486 1.00 0.00 C ATOM 1803 CZ PHE A 114 4.775 30.623 -11.761 1.00 0.00 C ATOM 1804 OXT PHE A 114 6.985 30.303 -7.906 1.00 0.00 O ATOM 0 H PHE A 114 8.041 33.162 -9.681 1.00 0.00 H new ATOM 0 HA PHE A 114 7.513 33.351 -7.053 1.00 0.00 H new ATOM 0 HB2 PHE A 114 5.091 33.164 -7.707 1.00 0.00 H new ATOM 0 HB3 PHE A 114 6.003 34.188 -8.799 1.00 0.00 H new ATOM 0 HD1 PHE A 114 6.689 33.345 -11.050 1.00 0.00 H new ATOM 0 HD2 PHE A 114 4.215 31.007 -8.428 1.00 0.00 H new ATOM 0 HE1 PHE A 114 6.053 31.884 -12.950 1.00 0.00 H new ATOM 0 HE2 PHE A 114 3.578 29.550 -10.330 1.00 0.00 H new ATOM 0 HZ PHE A 114 4.498 29.987 -12.589 1.00 0.00 H new TER 1814 PHE A 114