USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 653 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 85 SER OG : rot 180:sc= -0.136 USER MOD Set 1.2: A 86 SER OG : rot 180:sc= 0.0383 USER MOD Set 2.1: A 43 HIS : no HD1:sc= -0.267 X(o=0.59,f=1.1) USER MOD Set 2.2: A 57 SER OG : rot -89:sc= 0.86 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00363 USER MOD Single : A 5 SER OG : rot 53:sc= 0.0751 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.296 X(o=-0.3,f=-0.059) USER MOD Single : A 22 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0451) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.493 USER MOD Single : A 28 HIS : no HD1:sc= -0.639 K(o=-0.64,f=-2.6!) USER MOD Single : A 31 GLN : amide:sc= -0.0368 X(o=-0.037,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -1.43 X(o=-1.4,f=-1.8) USER MOD Single : A 47 ASN : amide:sc= -0.39 K(o=-0.39,f=-2.5!) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0568 USER MOD Single : A 58 SER OG : rot -96:sc= 0.161 USER MOD Single : A 59 ASN : amide:sc= -0.338 X(o=-0.34,f=-0.34) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS :FLIP no HD1:sc= -2.86 F(o=-3.4!,f=-2.9) USER MOD Single : A 78 THR OG1 : rot 87:sc= 0.758 USER MOD Single : A 82 GLN : amide:sc= -0.0515 K(o=-0.052,f=-2.7!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.071 -20.362 57.270 1.00 0.00 N ATOM 2 CA GLY A 1 -19.693 -19.005 56.920 1.00 0.00 C ATOM 3 C GLY A 1 -18.532 -18.495 57.750 1.00 0.00 C ATOM 4 O GLY A 1 -18.668 -18.282 58.955 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.869 -20.665 56.675 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.263 -20.998 57.116 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.353 -20.397 58.270 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.425 -18.966 55.864 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.550 -18.346 57.056 1.00 0.00 H new ATOM 8 N SER A 2 -17.386 -18.298 57.105 1.00 0.00 N ATOM 9 CA SER A 2 -16.195 -17.815 57.793 1.00 0.00 C ATOM 10 C SER A 2 -16.206 -16.292 57.894 1.00 0.00 C ATOM 11 O SER A 2 -17.013 -15.622 57.249 1.00 0.00 O ATOM 12 CB SER A 2 -14.934 -18.280 57.063 1.00 0.00 C ATOM 13 OG SER A 2 -14.868 -19.695 57.009 1.00 0.00 O ATOM 0 H SER A 2 -17.258 -18.466 56.107 1.00 0.00 H new ATOM 0 HA SER A 2 -16.195 -18.229 58.801 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.925 -17.874 56.052 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.052 -17.891 57.571 1.00 0.00 H new ATOM 0 HG SER A 2 -14.054 -19.967 56.536 1.00 0.00 H new ATOM 19 N SER A 3 -15.304 -15.753 58.707 1.00 0.00 N ATOM 20 CA SER A 3 -15.211 -14.310 58.896 1.00 0.00 C ATOM 21 C SER A 3 -13.964 -13.946 59.698 1.00 0.00 C ATOM 22 O SER A 3 -13.213 -14.819 60.129 1.00 0.00 O ATOM 23 CB SER A 3 -16.460 -13.786 59.608 1.00 0.00 C ATOM 24 OG SER A 3 -16.574 -12.380 59.468 1.00 0.00 O ATOM 0 H SER A 3 -14.627 -16.293 59.246 1.00 0.00 H new ATOM 0 HA SER A 3 -15.139 -13.844 57.913 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.347 -14.269 59.197 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.416 -14.047 60.665 1.00 0.00 H new ATOM 0 HG SER A 3 -17.381 -12.070 59.930 1.00 0.00 H new ATOM 30 N GLY A 4 -13.752 -12.648 59.894 1.00 0.00 N ATOM 31 CA GLY A 4 -12.597 -12.190 60.642 1.00 0.00 C ATOM 32 C GLY A 4 -12.663 -10.710 60.963 1.00 0.00 C ATOM 33 O GLY A 4 -13.443 -10.287 61.816 1.00 0.00 O ATOM 0 H GLY A 4 -14.360 -11.906 59.548 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.521 -12.757 61.570 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.693 -12.394 60.069 1.00 0.00 H new ATOM 37 N SER A 5 -11.841 -9.920 60.278 1.00 0.00 N ATOM 38 CA SER A 5 -11.806 -8.479 60.499 1.00 0.00 C ATOM 39 C SER A 5 -11.300 -7.752 59.256 1.00 0.00 C ATOM 40 O SER A 5 -10.123 -7.407 59.161 1.00 0.00 O ATOM 41 CB SER A 5 -10.914 -8.147 61.696 1.00 0.00 C ATOM 42 OG SER A 5 -9.697 -8.871 61.642 1.00 0.00 O ATOM 0 H SER A 5 -11.191 -10.254 59.566 1.00 0.00 H new ATOM 0 HA SER A 5 -12.822 -8.143 60.708 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.704 -7.078 61.711 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.440 -8.382 62.621 1.00 0.00 H new ATOM 0 HG SER A 5 -9.273 -8.733 60.770 1.00 0.00 H new ATOM 48 N SER A 6 -12.201 -7.523 58.305 1.00 0.00 N ATOM 49 CA SER A 6 -11.846 -6.840 57.067 1.00 0.00 C ATOM 50 C SER A 6 -13.061 -6.136 56.468 1.00 0.00 C ATOM 51 O SER A 6 -14.181 -6.639 56.538 1.00 0.00 O ATOM 52 CB SER A 6 -11.271 -7.835 56.057 1.00 0.00 C ATOM 53 OG SER A 6 -11.705 -9.155 56.338 1.00 0.00 O ATOM 0 H SER A 6 -13.181 -7.800 58.369 1.00 0.00 H new ATOM 0 HA SER A 6 -11.090 -6.090 57.299 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.579 -7.554 55.050 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.182 -7.794 56.081 1.00 0.00 H new ATOM 0 HG SER A 6 -11.325 -9.772 55.678 1.00 0.00 H new ATOM 59 N GLY A 7 -12.828 -4.967 55.879 1.00 0.00 N ATOM 60 CA GLY A 7 -13.911 -4.211 55.277 1.00 0.00 C ATOM 61 C GLY A 7 -13.464 -3.426 54.060 1.00 0.00 C ATOM 62 O GLY A 7 -12.769 -2.417 54.185 1.00 0.00 O ATOM 0 H GLY A 7 -11.909 -4.530 55.808 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.711 -4.894 54.991 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.326 -3.525 56.016 1.00 0.00 H new ATOM 66 N ILE A 8 -13.861 -3.890 52.880 1.00 0.00 N ATOM 67 CA ILE A 8 -13.496 -3.225 51.636 1.00 0.00 C ATOM 68 C ILE A 8 -14.727 -2.674 50.925 1.00 0.00 C ATOM 69 O ILE A 8 -15.551 -3.430 50.410 1.00 0.00 O ATOM 70 CB ILE A 8 -12.751 -4.179 50.684 1.00 0.00 C ATOM 71 CG1 ILE A 8 -11.526 -4.776 51.380 1.00 0.00 C ATOM 72 CG2 ILE A 8 -12.342 -3.449 49.414 1.00 0.00 C ATOM 73 CD1 ILE A 8 -10.903 -5.929 50.624 1.00 0.00 C ATOM 0 H ILE A 8 -14.436 -4.724 52.760 1.00 0.00 H new ATOM 0 HA ILE A 8 -12.834 -2.401 51.902 1.00 0.00 H new ATOM 0 HB ILE A 8 -13.423 -4.993 50.411 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -10.778 -3.995 51.515 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.814 -5.117 52.374 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.817 -4.137 48.752 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -13.231 -3.069 48.911 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.685 -2.617 49.668 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.040 -6.302 51.176 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -11.635 -6.728 50.512 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.584 -5.588 49.639 1.00 0.00 H new ATOM 85 N LYS A 9 -14.846 -1.351 50.898 1.00 0.00 N ATOM 86 CA LYS A 9 -15.975 -0.696 50.247 1.00 0.00 C ATOM 87 C LYS A 9 -15.656 -0.385 48.789 1.00 0.00 C ATOM 88 O LYS A 9 -15.691 0.772 48.371 1.00 0.00 O ATOM 89 CB LYS A 9 -16.339 0.593 50.988 1.00 0.00 C ATOM 90 CG LYS A 9 -17.785 1.018 50.793 1.00 0.00 C ATOM 91 CD LYS A 9 -18.564 0.956 52.096 1.00 0.00 C ATOM 92 CE LYS A 9 -19.838 1.784 52.023 1.00 0.00 C ATOM 93 NZ LYS A 9 -20.955 1.030 51.391 1.00 0.00 N ATOM 0 H LYS A 9 -14.174 -0.710 51.320 1.00 0.00 H new ATOM 0 HA LYS A 9 -16.825 -1.377 50.277 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -16.149 0.456 52.053 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -15.684 1.395 50.648 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -17.817 2.033 50.397 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -18.259 0.372 50.054 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -18.815 -0.080 52.322 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -17.939 1.319 52.912 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -20.130 2.091 53.028 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -19.647 2.694 51.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -21.805 1.629 51.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -20.687 0.759 50.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -21.155 0.174 51.947 1.00 0.00 H new ATOM 107 N GLU A 10 -15.348 -1.425 48.020 1.00 0.00 N ATOM 108 CA GLU A 10 -15.024 -1.260 46.608 1.00 0.00 C ATOM 109 C GLU A 10 -13.846 -0.307 46.427 1.00 0.00 C ATOM 110 O GLU A 10 -13.294 0.207 47.400 1.00 0.00 O ATOM 111 CB GLU A 10 -16.240 -0.736 45.840 1.00 0.00 C ATOM 112 CG GLU A 10 -16.434 -1.394 44.485 1.00 0.00 C ATOM 113 CD GLU A 10 -17.831 -1.954 44.302 1.00 0.00 C ATOM 114 OE1 GLU A 10 -18.805 -1.213 44.552 1.00 0.00 O ATOM 115 OE2 GLU A 10 -17.951 -3.133 43.909 1.00 0.00 O ATOM 0 H GLU A 10 -15.316 -2.389 48.351 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.744 -2.236 46.210 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -17.135 -0.893 46.442 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -16.135 0.340 45.700 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.233 -0.665 43.700 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.707 -2.197 44.368 1.00 0.00 H new ATOM 122 N VAL A 11 -13.465 -0.076 45.174 1.00 0.00 N ATOM 123 CA VAL A 11 -12.353 0.815 44.865 1.00 0.00 C ATOM 124 C VAL A 11 -12.569 1.520 43.531 1.00 0.00 C ATOM 125 O VAL A 11 -13.112 0.941 42.592 1.00 0.00 O ATOM 126 CB VAL A 11 -11.017 0.049 44.818 1.00 0.00 C ATOM 127 CG1 VAL A 11 -11.070 -1.053 43.771 1.00 0.00 C ATOM 128 CG2 VAL A 11 -9.866 1.005 44.541 1.00 0.00 C ATOM 0 H VAL A 11 -13.910 -0.494 44.357 1.00 0.00 H new ATOM 0 HA VAL A 11 -12.310 1.557 45.662 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.849 -0.415 45.790 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.118 -1.583 43.752 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.869 -1.752 44.018 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.261 -0.615 42.791 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.930 0.448 44.511 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.026 1.498 43.582 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.817 1.754 45.331 1.00 0.00 H new ATOM 138 N ASN A 12 -12.140 2.776 43.456 1.00 0.00 N ATOM 139 CA ASN A 12 -12.287 3.562 42.236 1.00 0.00 C ATOM 140 C ASN A 12 -10.996 3.550 41.423 1.00 0.00 C ATOM 141 O ASN A 12 -9.901 3.631 41.978 1.00 0.00 O ATOM 142 CB ASN A 12 -12.675 5.003 42.577 1.00 0.00 C ATOM 143 CG ASN A 12 -13.940 5.444 41.868 1.00 0.00 C ATOM 144 OD1 ASN A 12 -13.955 5.614 40.648 1.00 0.00 O ATOM 145 ND2 ASN A 12 -15.011 5.631 42.630 1.00 0.00 N ATOM 0 H ASN A 12 -11.688 3.271 44.225 1.00 0.00 H new ATOM 0 HA ASN A 12 -13.078 3.112 41.636 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -12.815 5.093 43.654 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -11.858 5.671 42.305 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -15.891 5.927 42.209 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -14.953 5.478 43.637 1.00 0.00 H new ATOM 152 N GLN A 13 -11.135 3.449 40.105 1.00 0.00 N ATOM 153 CA GLN A 13 -9.980 3.426 39.215 1.00 0.00 C ATOM 154 C GLN A 13 -9.439 4.834 38.990 1.00 0.00 C ATOM 155 O GLN A 13 -10.202 5.792 38.878 1.00 0.00 O ATOM 156 CB GLN A 13 -10.354 2.790 37.875 1.00 0.00 C ATOM 157 CG GLN A 13 -10.488 1.277 37.936 1.00 0.00 C ATOM 158 CD GLN A 13 -11.894 0.802 37.626 1.00 0.00 C ATOM 159 OE1 GLN A 13 -12.276 0.675 36.462 1.00 0.00 O ATOM 160 NE2 GLN A 13 -12.674 0.538 38.668 1.00 0.00 N ATOM 0 H GLN A 13 -12.035 3.382 39.630 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.201 2.828 39.687 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -11.296 3.216 37.530 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.597 3.050 37.135 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.792 0.826 37.229 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.202 0.931 38.929 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.316 0.657 39.616 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.631 0.216 38.520 1.00 0.00 H new ATOM 169 N ALA A 14 -8.117 4.950 38.923 1.00 0.00 N ATOM 170 CA ALA A 14 -7.473 6.241 38.709 1.00 0.00 C ATOM 171 C ALA A 14 -6.971 6.373 37.276 1.00 0.00 C ATOM 172 O ALA A 14 -6.072 5.646 36.852 1.00 0.00 O ATOM 173 CB ALA A 14 -6.326 6.428 39.692 1.00 0.00 C ATOM 0 H ALA A 14 -7.471 4.166 39.014 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.214 7.022 38.880 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.854 7.396 39.521 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.710 6.387 40.711 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.591 5.636 39.549 1.00 0.00 H new ATOM 179 N LEU A 15 -7.558 7.304 36.532 1.00 0.00 N ATOM 180 CA LEU A 15 -7.171 7.531 35.144 1.00 0.00 C ATOM 181 C LEU A 15 -7.840 8.784 34.590 1.00 0.00 C ATOM 182 O LEU A 15 -9.053 8.959 34.712 1.00 0.00 O ATOM 183 CB LEU A 15 -7.540 6.320 34.286 1.00 0.00 C ATOM 184 CG LEU A 15 -6.378 5.423 33.856 1.00 0.00 C ATOM 185 CD1 LEU A 15 -6.776 3.957 33.941 1.00 0.00 C ATOM 186 CD2 LEU A 15 -5.927 5.774 32.446 1.00 0.00 C ATOM 0 H LEU A 15 -8.304 7.914 36.867 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.091 7.675 35.113 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.256 5.713 34.839 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.049 6.676 33.390 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.543 5.592 34.536 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.937 3.334 33.631 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.050 3.713 34.968 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.627 3.772 33.285 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.100 5.126 32.157 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.757 5.634 31.753 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.601 6.814 32.417 1.00 0.00 H new ATOM 198 N LYS A 16 -7.043 9.654 33.978 1.00 0.00 N ATOM 199 CA LYS A 16 -7.558 10.890 33.401 1.00 0.00 C ATOM 200 C LYS A 16 -7.914 10.696 31.930 1.00 0.00 C ATOM 201 O LYS A 16 -7.074 10.299 31.125 1.00 0.00 O ATOM 202 CB LYS A 16 -6.527 12.011 33.543 1.00 0.00 C ATOM 203 CG LYS A 16 -7.007 13.174 34.394 1.00 0.00 C ATOM 204 CD LYS A 16 -5.915 14.215 34.583 1.00 0.00 C ATOM 205 CE LYS A 16 -4.900 13.774 35.627 1.00 0.00 C ATOM 206 NZ LYS A 16 -4.796 14.751 36.746 1.00 0.00 N ATOM 0 H LYS A 16 -6.037 9.525 33.869 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.463 11.166 33.943 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.616 11.602 33.981 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.266 12.381 32.551 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.875 13.637 33.923 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.331 12.805 35.367 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.409 14.390 33.633 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.362 15.162 34.886 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.185 12.799 36.022 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.924 13.655 35.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.095 14.415 37.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.499 15.675 36.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.721 14.846 37.211 1.00 0.00 H new ATOM 220 N GLY A 17 -9.167 10.982 31.587 1.00 0.00 N ATOM 221 CA GLY A 17 -9.612 10.835 30.214 1.00 0.00 C ATOM 222 C GLY A 17 -9.201 12.006 29.343 1.00 0.00 C ATOM 223 O GLY A 17 -9.951 12.972 29.195 1.00 0.00 O ATOM 0 H GLY A 17 -9.881 11.313 32.236 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.201 9.915 29.798 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.697 10.736 30.196 1.00 0.00 H new ATOM 227 N HIS A 18 -8.007 11.922 28.765 1.00 0.00 N ATOM 228 CA HIS A 18 -7.498 12.984 27.904 1.00 0.00 C ATOM 229 C HIS A 18 -6.825 12.403 26.664 1.00 0.00 C ATOM 230 O HIS A 18 -5.742 11.824 26.748 1.00 0.00 O ATOM 231 CB HIS A 18 -6.509 13.861 28.672 1.00 0.00 C ATOM 232 CG HIS A 18 -7.010 15.250 28.924 1.00 0.00 C ATOM 233 ND1 HIS A 18 -6.176 16.344 29.020 1.00 0.00 N ATOM 234 CD2 HIS A 18 -8.267 15.719 29.097 1.00 0.00 C ATOM 235 CE1 HIS A 18 -6.900 17.427 29.244 1.00 0.00 C ATOM 236 NE2 HIS A 18 -8.172 17.075 29.295 1.00 0.00 N ATOM 0 H HIS A 18 -7.374 11.130 28.877 1.00 0.00 H new ATOM 0 HA HIS A 18 -8.342 13.595 27.584 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -6.281 13.387 29.627 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.575 13.916 28.113 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.176 15.136 29.082 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -6.517 18.429 29.365 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -8.956 17.707 29.455 1.00 0.00 H new ATOM 244 N ALA A 19 -7.475 12.560 25.516 1.00 0.00 N ATOM 245 CA ALA A 19 -6.939 12.052 24.259 1.00 0.00 C ATOM 246 C ALA A 19 -5.850 12.970 23.716 1.00 0.00 C ATOM 247 O ALA A 19 -6.079 14.160 23.500 1.00 0.00 O ATOM 248 CB ALA A 19 -8.054 11.890 23.237 1.00 0.00 C ATOM 0 H ALA A 19 -8.374 13.035 25.430 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.493 11.076 24.451 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.639 11.510 22.303 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.796 11.188 23.617 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.526 12.856 23.058 1.00 0.00 H new ATOM 254 N TRP A 20 -4.665 12.411 23.498 1.00 0.00 N ATOM 255 CA TRP A 20 -3.540 13.181 22.980 1.00 0.00 C ATOM 256 C TRP A 20 -3.852 13.737 21.595 1.00 0.00 C ATOM 257 O TRP A 20 -4.984 13.641 21.117 1.00 0.00 O ATOM 258 CB TRP A 20 -2.283 12.311 22.923 1.00 0.00 C ATOM 259 CG TRP A 20 -1.924 11.698 24.242 1.00 0.00 C ATOM 260 CD1 TRP A 20 -2.347 10.494 24.729 1.00 0.00 C ATOM 261 CD2 TRP A 20 -1.071 12.261 25.245 1.00 0.00 C ATOM 262 NE1 TRP A 20 -1.807 10.275 25.974 1.00 0.00 N ATOM 263 CE2 TRP A 20 -1.020 11.343 26.312 1.00 0.00 C ATOM 264 CE3 TRP A 20 -0.342 13.450 25.344 1.00 0.00 C ATOM 265 CZ2 TRP A 20 -0.271 11.580 27.462 1.00 0.00 C ATOM 266 CZ3 TRP A 20 0.400 13.683 26.485 1.00 0.00 C ATOM 267 CH2 TRP A 20 0.432 12.752 27.532 1.00 0.00 C ATOM 0 H TRP A 20 -4.458 11.427 23.672 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.363 14.018 23.655 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -2.432 11.518 22.190 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -1.447 12.916 22.572 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.008 9.814 24.212 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -1.967 9.450 26.552 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -0.359 14.173 24.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -0.246 10.864 28.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.966 14.599 26.572 1.00 0.00 H new ATOM 0 HH2 TRP A 20 1.023 12.964 28.411 1.00 0.00 H new ATOM 278 N LEU A 21 -2.844 14.317 20.954 1.00 0.00 N ATOM 279 CA LEU A 21 -3.011 14.889 19.622 1.00 0.00 C ATOM 280 C LEU A 21 -2.300 14.041 18.573 1.00 0.00 C ATOM 281 O LEU A 21 -1.073 13.938 18.569 1.00 0.00 O ATOM 282 CB LEU A 21 -2.473 16.320 19.588 1.00 0.00 C ATOM 283 CG LEU A 21 -3.505 17.430 19.790 1.00 0.00 C ATOM 284 CD1 LEU A 21 -2.860 18.649 20.431 1.00 0.00 C ATOM 285 CD2 LEU A 21 -4.153 17.803 18.464 1.00 0.00 C ATOM 0 H LEU A 21 -1.902 14.404 21.335 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.076 14.903 19.391 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.708 16.418 20.359 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.981 16.479 18.629 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.281 17.061 20.460 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.610 19.428 20.567 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.444 18.373 21.400 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.063 19.020 19.786 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.885 18.594 18.627 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.388 18.153 17.771 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.651 16.929 18.044 1.00 0.00 H new ATOM 297 N LYS A 22 -3.078 13.436 17.682 1.00 0.00 N ATOM 298 CA LYS A 22 -2.523 12.599 16.624 1.00 0.00 C ATOM 299 C LYS A 22 -3.432 12.598 15.399 1.00 0.00 C ATOM 300 O LYS A 22 -4.500 13.210 15.406 1.00 0.00 O ATOM 301 CB LYS A 22 -2.327 11.168 17.128 1.00 0.00 C ATOM 302 CG LYS A 22 -3.628 10.443 17.425 1.00 0.00 C ATOM 303 CD LYS A 22 -3.689 9.976 18.870 1.00 0.00 C ATOM 304 CE LYS A 22 -5.123 9.750 19.323 1.00 0.00 C ATOM 305 NZ LYS A 22 -5.820 8.743 18.476 1.00 0.00 N ATOM 0 H LYS A 22 -4.095 13.510 17.671 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.556 13.012 16.337 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.768 10.603 16.382 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.719 11.191 18.032 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.469 11.105 17.220 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.728 9.585 16.760 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.122 9.051 18.979 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.216 10.718 19.513 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.128 9.417 20.361 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.668 10.693 19.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.752 8.529 18.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.943 9.123 17.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.253 7.872 18.434 1.00 0.00 H new ATOM 319 N ASP A 23 -3.002 11.905 14.350 1.00 0.00 N ATOM 320 CA ASP A 23 -3.778 11.822 13.118 1.00 0.00 C ATOM 321 C ASP A 23 -3.954 13.202 12.492 1.00 0.00 C ATOM 322 O ASP A 23 -4.970 13.481 11.856 1.00 0.00 O ATOM 323 CB ASP A 23 -5.146 11.196 13.394 1.00 0.00 C ATOM 324 CG ASP A 23 -5.626 10.326 12.248 1.00 0.00 C ATOM 325 OD1 ASP A 23 -4.893 9.390 11.867 1.00 0.00 O ATOM 326 OD2 ASP A 23 -6.735 10.581 11.734 1.00 0.00 O ATOM 0 H ASP A 23 -2.120 11.393 14.328 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.233 11.191 12.416 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.092 10.597 14.303 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.874 11.986 13.576 1.00 0.00 H new ATOM 331 N ASP A 24 -2.958 14.061 12.678 1.00 0.00 N ATOM 332 CA ASP A 24 -3.002 15.413 12.132 1.00 0.00 C ATOM 333 C ASP A 24 -1.858 15.639 11.149 1.00 0.00 C ATOM 334 O ASP A 24 -2.067 16.137 10.043 1.00 0.00 O ATOM 335 CB ASP A 24 -2.933 16.444 13.259 1.00 0.00 C ATOM 336 CG ASP A 24 -4.282 17.069 13.556 1.00 0.00 C ATOM 337 OD1 ASP A 24 -4.941 17.537 12.604 1.00 0.00 O ATOM 338 OD2 ASP A 24 -4.679 17.089 14.739 1.00 0.00 O ATOM 0 H ASP A 24 -2.110 13.845 13.203 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.945 15.532 11.599 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.551 15.967 14.161 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.225 17.227 12.988 1.00 0.00 H new ATOM 343 N GLU A 25 -0.649 15.270 11.560 1.00 0.00 N ATOM 344 CA GLU A 25 0.529 15.435 10.715 1.00 0.00 C ATOM 345 C GLU A 25 1.389 14.176 10.730 1.00 0.00 C ATOM 346 O GLU A 25 2.395 14.106 11.436 1.00 0.00 O ATOM 347 CB GLU A 25 1.354 16.636 11.182 1.00 0.00 C ATOM 348 CG GLU A 25 0.932 17.949 10.544 1.00 0.00 C ATOM 349 CD GLU A 25 1.922 18.438 9.504 1.00 0.00 C ATOM 350 OE1 GLU A 25 3.142 18.316 9.742 1.00 0.00 O ATOM 351 OE2 GLU A 25 1.475 18.941 8.452 1.00 0.00 O ATOM 0 H GLU A 25 -0.459 14.855 12.472 1.00 0.00 H new ATOM 0 HA GLU A 25 0.191 15.611 9.694 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.270 16.725 12.265 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.405 16.454 10.957 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.046 17.825 10.079 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.822 18.707 11.320 1.00 0.00 H new ATOM 358 N ALA A 26 0.986 13.181 9.945 1.00 0.00 N ATOM 359 CA ALA A 26 1.721 11.925 9.867 1.00 0.00 C ATOM 360 C ALA A 26 3.150 12.153 9.388 1.00 0.00 C ATOM 361 O ALA A 26 3.558 13.288 9.136 1.00 0.00 O ATOM 362 CB ALA A 26 1.002 10.951 8.944 1.00 0.00 C ATOM 0 H ALA A 26 0.155 13.221 9.355 1.00 0.00 H new ATOM 0 HA ALA A 26 1.766 11.496 10.868 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.561 10.017 8.894 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.002 10.755 9.330 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.928 11.383 7.946 1.00 0.00 H new ATOM 368 N THR A 27 3.909 11.069 9.264 1.00 0.00 N ATOM 369 CA THR A 27 5.294 11.151 8.817 1.00 0.00 C ATOM 370 C THR A 27 5.856 9.768 8.511 1.00 0.00 C ATOM 371 O THR A 27 6.600 9.589 7.547 1.00 0.00 O ATOM 372 CB THR A 27 6.185 11.833 9.872 1.00 0.00 C ATOM 373 OG1 THR A 27 5.414 12.139 11.040 1.00 0.00 O ATOM 374 CG2 THR A 27 6.802 13.108 9.317 1.00 0.00 C ATOM 0 H THR A 27 3.587 10.123 9.467 1.00 0.00 H new ATOM 0 HA THR A 27 5.297 11.751 7.907 1.00 0.00 H new ATOM 0 HB THR A 27 6.988 11.145 10.137 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.988 12.571 11.707 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.427 13.572 10.080 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.411 12.868 8.446 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.010 13.799 9.027 1.00 0.00 H new ATOM 382 N HIS A 28 5.495 8.791 9.337 1.00 0.00 N ATOM 383 CA HIS A 28 5.963 7.422 9.153 1.00 0.00 C ATOM 384 C HIS A 28 4.824 6.515 8.698 1.00 0.00 C ATOM 385 O HIS A 28 3.687 6.960 8.539 1.00 0.00 O ATOM 386 CB HIS A 28 6.567 6.888 10.452 1.00 0.00 C ATOM 387 CG HIS A 28 7.919 7.453 10.761 1.00 0.00 C ATOM 388 ND1 HIS A 28 8.179 8.807 10.794 1.00 0.00 N ATOM 389 CD2 HIS A 28 9.090 6.840 11.052 1.00 0.00 C ATOM 390 CE1 HIS A 28 9.452 9.002 11.091 1.00 0.00 C ATOM 391 NE2 HIS A 28 10.026 7.824 11.253 1.00 0.00 N ATOM 0 H HIS A 28 4.880 8.922 10.140 1.00 0.00 H new ATOM 0 HA HIS A 28 6.731 7.428 8.379 1.00 0.00 H new ATOM 0 HB2 HIS A 28 5.891 7.113 11.277 1.00 0.00 H new ATOM 0 HB3 HIS A 28 6.642 5.802 10.389 1.00 0.00 H new ATOM 0 HD2 HIS A 28 9.257 5.775 11.114 1.00 0.00 H new ATOM 0 HE1 HIS A 28 9.939 9.961 11.185 1.00 0.00 H new ATOM 0 HE2 HIS A 28 11.006 7.670 11.489 1.00 0.00 H new ATOM 399 N CYS A 29 5.136 5.240 8.488 1.00 0.00 N ATOM 400 CA CYS A 29 4.140 4.270 8.050 1.00 0.00 C ATOM 401 C CYS A 29 3.318 3.763 9.231 1.00 0.00 C ATOM 402 O CYS A 29 3.807 3.697 10.359 1.00 0.00 O ATOM 403 CB CYS A 29 4.819 3.094 7.345 1.00 0.00 C ATOM 404 SG CYS A 29 3.661 1.944 6.536 1.00 0.00 S ATOM 0 H CYS A 29 6.072 4.855 8.614 1.00 0.00 H new ATOM 0 HA CYS A 29 3.469 4.767 7.350 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.510 3.482 6.597 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.414 2.542 8.073 1.00 0.00 H new ATOM 409 N ARG A 30 2.065 3.407 8.964 1.00 0.00 N ATOM 410 CA ARG A 30 1.175 2.908 10.004 1.00 0.00 C ATOM 411 C ARG A 30 1.205 1.383 10.060 1.00 0.00 C ATOM 412 O ARG A 30 0.169 0.738 10.221 1.00 0.00 O ATOM 413 CB ARG A 30 -0.256 3.391 9.756 1.00 0.00 C ATOM 414 CG ARG A 30 -1.031 3.680 11.031 1.00 0.00 C ATOM 415 CD ARG A 30 -0.607 5.002 11.653 1.00 0.00 C ATOM 416 NE ARG A 30 -0.580 4.937 13.111 1.00 0.00 N ATOM 417 CZ ARG A 30 -0.492 6.008 13.893 1.00 0.00 C ATOM 418 NH1 ARG A 30 -0.424 7.219 13.359 1.00 0.00 N ATOM 419 NH2 ARG A 30 -0.473 5.867 15.212 1.00 0.00 N ATOM 0 H ARG A 30 1.644 3.455 8.036 1.00 0.00 H new ATOM 0 HA ARG A 30 1.522 3.297 10.961 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.225 4.295 9.147 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.790 2.636 9.179 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.098 3.706 10.811 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.872 2.873 11.746 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.381 5.276 11.284 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.294 5.788 11.338 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.631 4.020 13.554 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.439 7.331 12.345 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.357 8.039 13.962 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.526 4.936 15.626 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.405 6.689 15.812 1.00 0.00 H new ATOM 433 N GLN A 31 2.399 0.815 9.925 1.00 0.00 N ATOM 434 CA GLN A 31 2.564 -0.633 9.959 1.00 0.00 C ATOM 435 C GLN A 31 4.040 -1.013 10.002 1.00 0.00 C ATOM 436 O GLN A 31 4.435 -1.929 10.723 1.00 0.00 O ATOM 437 CB GLN A 31 1.897 -1.272 8.739 1.00 0.00 C ATOM 438 CG GLN A 31 2.193 -2.756 8.591 1.00 0.00 C ATOM 439 CD GLN A 31 0.995 -3.544 8.099 1.00 0.00 C ATOM 440 OE1 GLN A 31 0.681 -4.612 8.625 1.00 0.00 O ATOM 441 NE2 GLN A 31 0.318 -3.020 7.084 1.00 0.00 N ATOM 0 H GLN A 31 3.266 1.335 9.791 1.00 0.00 H new ATOM 0 HA GLN A 31 2.085 -1.006 10.864 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.819 -1.130 8.809 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.229 -0.752 7.840 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.021 -2.890 7.895 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.516 -3.156 9.552 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.613 -2.132 6.678 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.498 -3.505 6.710 1.00 0.00 H new ATOM 450 N CYS A 32 4.852 -0.302 9.226 1.00 0.00 N ATOM 451 CA CYS A 32 6.285 -0.564 9.175 1.00 0.00 C ATOM 452 C CYS A 32 7.027 0.264 10.220 1.00 0.00 C ATOM 453 O CYS A 32 8.101 -0.119 10.681 1.00 0.00 O ATOM 454 CB CYS A 32 6.832 -0.254 7.780 1.00 0.00 C ATOM 455 SG CYS A 32 6.037 -1.201 6.442 1.00 0.00 S ATOM 0 H CYS A 32 4.541 0.460 8.624 1.00 0.00 H new ATOM 0 HA CYS A 32 6.444 -1.620 9.394 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.707 0.810 7.581 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.903 -0.457 7.768 1.00 0.00 H new ATOM 460 N GLU A 33 6.445 1.401 10.588 1.00 0.00 N ATOM 461 CA GLU A 33 7.051 2.283 11.578 1.00 0.00 C ATOM 462 C GLU A 33 8.389 2.823 11.079 1.00 0.00 C ATOM 463 O GLU A 33 9.348 2.940 11.842 1.00 0.00 O ATOM 464 CB GLU A 33 7.250 1.541 12.901 1.00 0.00 C ATOM 465 CG GLU A 33 6.965 2.395 14.126 1.00 0.00 C ATOM 466 CD GLU A 33 7.839 2.027 15.309 1.00 0.00 C ATOM 467 OE1 GLU A 33 9.052 1.812 15.106 1.00 0.00 O ATOM 468 OE2 GLU A 33 7.310 1.954 16.438 1.00 0.00 O ATOM 0 H GLU A 33 5.555 1.733 10.216 1.00 0.00 H new ATOM 0 HA GLU A 33 6.376 3.124 11.739 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.600 0.666 12.919 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.276 1.177 12.953 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.120 3.445 13.877 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.917 2.285 14.405 1.00 0.00 H new ATOM 475 N LYS A 34 8.446 3.149 9.792 1.00 0.00 N ATOM 476 CA LYS A 34 9.664 3.677 9.189 1.00 0.00 C ATOM 477 C LYS A 34 9.373 4.949 8.400 1.00 0.00 C ATOM 478 O LYS A 34 8.306 5.089 7.803 1.00 0.00 O ATOM 479 CB LYS A 34 10.299 2.629 8.273 1.00 0.00 C ATOM 480 CG LYS A 34 10.619 1.320 8.975 1.00 0.00 C ATOM 481 CD LYS A 34 11.646 0.510 8.202 1.00 0.00 C ATOM 482 CE LYS A 34 11.264 -0.961 8.141 1.00 0.00 C ATOM 483 NZ LYS A 34 11.806 -1.724 9.300 1.00 0.00 N ATOM 0 H LYS A 34 7.662 3.057 9.146 1.00 0.00 H new ATOM 0 HA LYS A 34 10.361 3.920 9.991 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.624 2.430 7.441 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.216 3.038 7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.996 1.526 9.977 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.706 0.736 9.092 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.737 0.906 7.190 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.623 0.614 8.674 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.178 -1.054 8.121 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.638 -1.395 7.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.524 -2.722 9.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.844 -1.657 9.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.429 -1.326 10.184 1.00 0.00 H new ATOM 497 N GLU A 35 10.330 5.872 8.400 1.00 0.00 N ATOM 498 CA GLU A 35 10.175 7.132 7.683 1.00 0.00 C ATOM 499 C GLU A 35 10.067 6.892 6.179 1.00 0.00 C ATOM 500 O GLU A 35 10.681 5.971 5.641 1.00 0.00 O ATOM 501 CB GLU A 35 11.354 8.061 7.979 1.00 0.00 C ATOM 502 CG GLU A 35 11.287 9.385 7.236 1.00 0.00 C ATOM 503 CD GLU A 35 11.778 10.550 8.073 1.00 0.00 C ATOM 504 OE1 GLU A 35 12.900 10.459 8.615 1.00 0.00 O ATOM 505 OE2 GLU A 35 11.041 11.551 8.188 1.00 0.00 O ATOM 0 H GLU A 35 11.220 5.771 8.888 1.00 0.00 H new ATOM 0 HA GLU A 35 9.255 7.605 8.025 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.391 8.257 9.051 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.281 7.553 7.715 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.885 9.318 6.327 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.259 9.572 6.927 1.00 0.00 H new ATOM 512 N PHE A 36 9.282 7.728 5.508 1.00 0.00 N ATOM 513 CA PHE A 36 9.091 7.607 4.067 1.00 0.00 C ATOM 514 C PHE A 36 10.279 8.195 3.310 1.00 0.00 C ATOM 515 O PHE A 36 11.049 8.984 3.858 1.00 0.00 O ATOM 516 CB PHE A 36 7.801 8.311 3.641 1.00 0.00 C ATOM 517 CG PHE A 36 6.560 7.677 4.200 1.00 0.00 C ATOM 518 CD1 PHE A 36 6.265 6.349 3.936 1.00 0.00 C ATOM 519 CD2 PHE A 36 5.688 8.409 4.990 1.00 0.00 C ATOM 520 CE1 PHE A 36 5.123 5.764 4.448 1.00 0.00 C ATOM 521 CE2 PHE A 36 4.544 7.829 5.505 1.00 0.00 C ATOM 522 CZ PHE A 36 4.262 6.504 5.235 1.00 0.00 C ATOM 0 H PHE A 36 8.768 8.497 5.939 1.00 0.00 H new ATOM 0 HA PHE A 36 9.016 6.547 3.823 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.843 9.353 3.960 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.740 8.313 2.553 1.00 0.00 H new ATOM 0 HD1 PHE A 36 6.935 5.765 3.323 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.905 9.445 5.206 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.903 4.729 4.233 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.871 8.411 6.118 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.370 6.048 5.638 1.00 0.00 H new ATOM 532 N SER A 37 10.420 7.804 2.048 1.00 0.00 N ATOM 533 CA SER A 37 11.516 8.288 1.216 1.00 0.00 C ATOM 534 C SER A 37 10.994 8.817 -0.116 1.00 0.00 C ATOM 535 O SER A 37 9.806 8.699 -0.421 1.00 0.00 O ATOM 536 CB SER A 37 12.531 7.170 0.971 1.00 0.00 C ATOM 537 OG SER A 37 12.223 6.024 1.746 1.00 0.00 O ATOM 0 H SER A 37 9.790 7.154 1.579 1.00 0.00 H new ATOM 0 HA SER A 37 12.007 9.105 1.745 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.539 6.907 -0.087 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.532 7.522 1.219 1.00 0.00 H new ATOM 0 HG SER A 37 12.885 5.323 1.571 1.00 0.00 H new ATOM 543 N ILE A 38 11.889 9.400 -0.906 1.00 0.00 N ATOM 544 CA ILE A 38 11.520 9.946 -2.206 1.00 0.00 C ATOM 545 C ILE A 38 10.860 8.886 -3.081 1.00 0.00 C ATOM 546 O ILE A 38 9.806 9.120 -3.670 1.00 0.00 O ATOM 547 CB ILE A 38 12.745 10.516 -2.946 1.00 0.00 C ATOM 548 CG1 ILE A 38 13.443 11.571 -2.084 1.00 0.00 C ATOM 549 CG2 ILE A 38 12.327 11.109 -4.283 1.00 0.00 C ATOM 550 CD1 ILE A 38 14.851 11.188 -1.684 1.00 0.00 C ATOM 0 H ILE A 38 12.875 9.506 -0.668 1.00 0.00 H new ATOM 0 HA ILE A 38 10.811 10.752 -2.019 1.00 0.00 H new ATOM 0 HB ILE A 38 13.448 9.704 -3.134 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.473 12.514 -2.630 1.00 0.00 H new ATOM 0 HG13 ILE A 38 12.852 11.743 -1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.203 11.508 -4.794 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.870 10.334 -4.898 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.608 11.911 -4.116 1.00 0.00 H new ATOM 0 HD11 ILE A 38 15.285 11.981 -1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 38 14.827 10.262 -1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 38 15.457 11.045 -2.579 1.00 0.00 H new ATOM 562 N SER A 39 11.488 7.717 -3.158 1.00 0.00 N ATOM 563 CA SER A 39 10.963 6.619 -3.963 1.00 0.00 C ATOM 564 C SER A 39 9.830 5.904 -3.233 1.00 0.00 C ATOM 565 O SER A 39 8.932 5.342 -3.858 1.00 0.00 O ATOM 566 CB SER A 39 12.077 5.625 -4.296 1.00 0.00 C ATOM 567 OG SER A 39 11.552 4.331 -4.534 1.00 0.00 O ATOM 0 H SER A 39 12.360 7.505 -2.673 1.00 0.00 H new ATOM 0 HA SER A 39 10.569 7.036 -4.890 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.623 5.967 -5.176 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.791 5.585 -3.473 1.00 0.00 H new ATOM 0 HG SER A 39 12.284 3.715 -4.746 1.00 0.00 H new ATOM 573 N ARG A 40 9.881 5.930 -1.905 1.00 0.00 N ATOM 574 CA ARG A 40 8.860 5.284 -1.088 1.00 0.00 C ATOM 575 C ARG A 40 7.888 6.313 -0.518 1.00 0.00 C ATOM 576 O ARG A 40 7.880 6.573 0.685 1.00 0.00 O ATOM 577 CB ARG A 40 9.511 4.496 0.050 1.00 0.00 C ATOM 578 CG ARG A 40 8.539 3.607 0.808 1.00 0.00 C ATOM 579 CD ARG A 40 8.749 3.707 2.311 1.00 0.00 C ATOM 580 NE ARG A 40 9.965 3.022 2.741 1.00 0.00 N ATOM 581 CZ ARG A 40 10.046 1.707 2.912 1.00 0.00 C ATOM 582 NH1 ARG A 40 8.988 0.939 2.690 1.00 0.00 N ATOM 583 NH2 ARG A 40 11.188 1.157 3.305 1.00 0.00 N ATOM 0 H ARG A 40 10.618 6.391 -1.372 1.00 0.00 H new ATOM 0 HA ARG A 40 8.302 4.597 -1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.312 3.879 -0.358 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.971 5.195 0.748 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.516 3.892 0.563 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.666 2.572 0.490 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.803 4.757 2.600 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.890 3.278 2.826 1.00 0.00 H new ATOM 0 HE ARG A 40 10.797 3.584 2.920 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.109 1.358 2.387 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.054 -0.070 2.822 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.004 1.744 3.476 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.249 0.147 3.436 1.00 0.00 H new ATOM 597 N ARG A 41 7.072 6.895 -1.390 1.00 0.00 N ATOM 598 CA ARG A 41 6.097 7.896 -0.974 1.00 0.00 C ATOM 599 C ARG A 41 5.004 7.267 -0.115 1.00 0.00 C ATOM 600 O ARG A 41 5.056 6.079 0.204 1.00 0.00 O ATOM 601 CB ARG A 41 5.474 8.572 -2.197 1.00 0.00 C ATOM 602 CG ARG A 41 6.491 9.247 -3.103 1.00 0.00 C ATOM 603 CD ARG A 41 6.915 10.600 -2.555 1.00 0.00 C ATOM 604 NE ARG A 41 5.830 11.576 -2.606 1.00 0.00 N ATOM 605 CZ ARG A 41 5.853 12.735 -1.958 1.00 0.00 C ATOM 606 NH1 ARG A 41 6.900 13.062 -1.214 1.00 0.00 N ATOM 607 NH2 ARG A 41 4.826 13.571 -2.054 1.00 0.00 N ATOM 0 H ARG A 41 7.066 6.691 -2.389 1.00 0.00 H new ATOM 0 HA ARG A 41 6.616 8.646 -0.378 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.925 7.827 -2.773 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.749 9.314 -1.862 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.366 8.606 -3.210 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.065 9.374 -4.098 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.250 10.485 -1.524 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.765 10.973 -3.127 1.00 0.00 H new ATOM 0 HE ARG A 41 5.009 11.355 -3.170 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.691 12.423 -1.138 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.915 13.953 -0.718 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.018 13.323 -2.626 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.845 14.461 -1.556 1.00 0.00 H new ATOM 621 N LYS A 42 4.014 8.071 0.256 1.00 0.00 N ATOM 622 CA LYS A 42 2.907 7.595 1.077 1.00 0.00 C ATOM 623 C LYS A 42 1.635 7.455 0.247 1.00 0.00 C ATOM 624 O LYS A 42 1.411 8.214 -0.696 1.00 0.00 O ATOM 625 CB LYS A 42 2.663 8.552 2.246 1.00 0.00 C ATOM 626 CG LYS A 42 2.442 9.992 1.817 1.00 0.00 C ATOM 627 CD LYS A 42 1.922 10.842 2.965 1.00 0.00 C ATOM 628 CE LYS A 42 2.922 10.903 4.110 1.00 0.00 C ATOM 629 NZ LYS A 42 2.631 12.030 5.040 1.00 0.00 N ATOM 0 H LYS A 42 3.955 9.057 0.001 1.00 0.00 H new ATOM 0 HA LYS A 42 3.174 6.614 1.469 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.793 8.212 2.808 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.516 8.510 2.923 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.378 10.411 1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.732 10.022 0.990 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.714 11.851 2.608 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.979 10.431 3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.901 9.963 4.661 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.929 11.015 3.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.334 12.038 5.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.675 12.930 4.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.680 11.910 5.444 1.00 0.00 H new ATOM 643 N HIS A 43 0.805 6.481 0.605 1.00 0.00 N ATOM 644 CA HIS A 43 -0.447 6.243 -0.107 1.00 0.00 C ATOM 645 C HIS A 43 -1.640 6.376 0.834 1.00 0.00 C ATOM 646 O HIS A 43 -1.694 5.729 1.881 1.00 0.00 O ATOM 647 CB HIS A 43 -0.439 4.854 -0.746 1.00 0.00 C ATOM 648 CG HIS A 43 0.381 4.775 -1.996 1.00 0.00 C ATOM 649 ND1 HIS A 43 0.066 5.464 -3.148 1.00 0.00 N ATOM 650 CD2 HIS A 43 1.512 4.083 -2.272 1.00 0.00 C ATOM 651 CE1 HIS A 43 0.965 5.199 -4.078 1.00 0.00 C ATOM 652 NE2 HIS A 43 1.854 4.363 -3.572 1.00 0.00 N ATOM 0 H HIS A 43 0.976 5.844 1.383 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.539 6.995 -0.891 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.056 4.133 -0.024 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.464 4.562 -0.975 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.046 3.432 -1.595 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.972 5.598 -5.082 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.663 3.987 -4.067 1.00 0.00 H new ATOM 660 N HIS A 44 -2.595 7.220 0.456 1.00 0.00 N ATOM 661 CA HIS A 44 -3.788 7.438 1.266 1.00 0.00 C ATOM 662 C HIS A 44 -4.877 6.430 0.912 1.00 0.00 C ATOM 663 O HIS A 44 -5.330 6.364 -0.231 1.00 0.00 O ATOM 664 CB HIS A 44 -4.311 8.861 1.068 1.00 0.00 C ATOM 665 CG HIS A 44 -4.251 9.699 2.308 1.00 0.00 C ATOM 666 ND1 HIS A 44 -3.997 11.054 2.289 1.00 0.00 N ATOM 667 CD2 HIS A 44 -4.416 9.367 3.610 1.00 0.00 C ATOM 668 CE1 HIS A 44 -4.006 11.519 3.526 1.00 0.00 C ATOM 669 NE2 HIS A 44 -4.259 10.515 4.346 1.00 0.00 N ATOM 0 H HIS A 44 -2.566 7.764 -0.406 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.516 7.300 2.313 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.731 9.346 0.283 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.343 8.815 0.720 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -4.631 8.382 3.998 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -3.836 12.545 3.817 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -4.327 10.582 5.362 1.00 0.00 H new ATOM 677 N CYS A 45 -5.292 5.644 1.900 1.00 0.00 N ATOM 678 CA CYS A 45 -6.326 4.637 1.694 1.00 0.00 C ATOM 679 C CYS A 45 -7.658 5.291 1.338 1.00 0.00 C ATOM 680 O CYS A 45 -8.027 6.321 1.903 1.00 0.00 O ATOM 681 CB CYS A 45 -6.487 3.777 2.950 1.00 0.00 C ATOM 682 SG CYS A 45 -7.412 2.231 2.678 1.00 0.00 S ATOM 0 H CYS A 45 -4.928 5.685 2.852 1.00 0.00 H new ATOM 0 HA CYS A 45 -6.019 4.001 0.863 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.499 3.533 3.340 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.996 4.363 3.716 1.00 0.00 H new ATOM 687 N ARG A 46 -8.375 4.685 0.397 1.00 0.00 N ATOM 688 CA ARG A 46 -9.665 5.208 -0.036 1.00 0.00 C ATOM 689 C ARG A 46 -10.806 4.538 0.724 1.00 0.00 C ATOM 690 O ARG A 46 -11.956 4.565 0.288 1.00 0.00 O ATOM 691 CB ARG A 46 -9.847 4.997 -1.540 1.00 0.00 C ATOM 692 CG ARG A 46 -8.997 5.926 -2.392 1.00 0.00 C ATOM 693 CD ARG A 46 -7.672 5.282 -2.766 1.00 0.00 C ATOM 694 NE ARG A 46 -7.060 5.923 -3.927 1.00 0.00 N ATOM 695 CZ ARG A 46 -6.534 7.143 -3.901 1.00 0.00 C ATOM 696 NH1 ARG A 46 -6.543 7.848 -2.779 1.00 0.00 N ATOM 697 NH2 ARG A 46 -5.995 7.658 -4.999 1.00 0.00 N ATOM 0 H ARG A 46 -8.084 3.832 -0.080 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.686 6.276 0.179 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.600 3.964 -1.786 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.897 5.143 -1.795 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.542 6.191 -3.298 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.812 6.852 -1.848 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.989 5.339 -1.918 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.830 4.224 -2.977 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.035 5.406 -4.806 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.954 7.454 -1.933 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.139 8.784 -2.762 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.984 7.117 -5.864 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.592 8.595 -4.978 1.00 0.00 H new ATOM 711 N ASN A 47 -10.479 3.936 1.863 1.00 0.00 N ATOM 712 CA ASN A 47 -11.476 3.257 2.683 1.00 0.00 C ATOM 713 C ASN A 47 -11.391 3.717 4.135 1.00 0.00 C ATOM 714 O ASN A 47 -12.265 4.435 4.622 1.00 0.00 O ATOM 715 CB ASN A 47 -11.284 1.741 2.605 1.00 0.00 C ATOM 716 CG ASN A 47 -12.360 0.983 3.359 1.00 0.00 C ATOM 717 OD1 ASN A 47 -13.278 1.580 3.920 1.00 0.00 O ATOM 718 ND2 ASN A 47 -12.249 -0.340 3.376 1.00 0.00 N ATOM 0 H ASN A 47 -9.531 3.905 2.239 1.00 0.00 H new ATOM 0 HA ASN A 47 -12.463 3.512 2.297 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.289 1.430 1.560 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.307 1.480 3.011 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -12.942 -0.904 3.868 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.471 -0.793 2.897 1.00 0.00 H new ATOM 725 N CYS A 48 -10.332 3.301 4.821 1.00 0.00 N ATOM 726 CA CYS A 48 -10.131 3.669 6.217 1.00 0.00 C ATOM 727 C CYS A 48 -9.562 5.081 6.330 1.00 0.00 C ATOM 728 O CYS A 48 -9.773 5.768 7.329 1.00 0.00 O ATOM 729 CB CYS A 48 -9.192 2.673 6.899 1.00 0.00 C ATOM 730 SG CYS A 48 -7.479 2.722 6.281 1.00 0.00 S ATOM 0 H CYS A 48 -9.599 2.708 4.432 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.100 3.645 6.716 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -9.186 2.871 7.971 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.587 1.666 6.763 1.00 0.00 H new ATOM 735 N GLY A 49 -8.840 5.506 5.298 1.00 0.00 N ATOM 736 CA GLY A 49 -8.252 6.833 5.302 1.00 0.00 C ATOM 737 C GLY A 49 -7.055 6.935 6.226 1.00 0.00 C ATOM 738 O GLY A 49 -7.081 7.676 7.209 1.00 0.00 O ATOM 0 H GLY A 49 -8.652 4.956 4.460 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.948 7.095 4.289 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.005 7.560 5.607 1.00 0.00 H new ATOM 742 N HIS A 50 -6.002 6.186 5.913 1.00 0.00 N ATOM 743 CA HIS A 50 -4.789 6.194 6.723 1.00 0.00 C ATOM 744 C HIS A 50 -3.549 6.330 5.845 1.00 0.00 C ATOM 745 O HIS A 50 -3.649 6.394 4.620 1.00 0.00 O ATOM 746 CB HIS A 50 -4.700 4.916 7.558 1.00 0.00 C ATOM 747 CG HIS A 50 -5.527 4.957 8.806 1.00 0.00 C ATOM 748 ND1 HIS A 50 -4.980 5.032 10.070 1.00 0.00 N ATOM 749 CD2 HIS A 50 -6.869 4.935 8.980 1.00 0.00 C ATOM 750 CE1 HIS A 50 -5.949 5.052 10.967 1.00 0.00 C ATOM 751 NE2 HIS A 50 -7.106 4.995 10.331 1.00 0.00 N ATOM 0 H HIS A 50 -5.964 5.566 5.104 1.00 0.00 H new ATOM 0 HA HIS A 50 -4.834 7.054 7.392 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -5.019 4.071 6.948 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -3.659 4.740 7.828 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -7.615 4.880 8.201 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -5.818 5.106 12.038 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -8.026 4.995 10.772 1.00 0.00 H new ATOM 759 N ILE A 51 -2.383 6.374 6.480 1.00 0.00 N ATOM 760 CA ILE A 51 -1.124 6.502 5.756 1.00 0.00 C ATOM 761 C ILE A 51 -0.371 5.176 5.724 1.00 0.00 C ATOM 762 O ILE A 51 -0.256 4.491 6.740 1.00 0.00 O ATOM 763 CB ILE A 51 -0.219 7.578 6.385 1.00 0.00 C ATOM 764 CG1 ILE A 51 -0.966 8.910 6.483 1.00 0.00 C ATOM 765 CG2 ILE A 51 1.057 7.738 5.573 1.00 0.00 C ATOM 766 CD1 ILE A 51 -1.413 9.451 5.143 1.00 0.00 C ATOM 0 H ILE A 51 -2.284 6.323 7.494 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.375 6.800 4.738 1.00 0.00 H new ATOM 0 HB ILE A 51 0.052 7.260 7.392 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.839 8.782 7.124 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.321 9.644 6.966 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.686 8.502 6.030 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.595 6.790 5.551 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.806 8.037 4.555 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.935 10.397 5.288 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.543 9.611 4.507 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.084 8.735 4.667 1.00 0.00 H new ATOM 778 N PHE A 52 0.141 4.822 4.550 1.00 0.00 N ATOM 779 CA PHE A 52 0.884 3.578 4.385 1.00 0.00 C ATOM 780 C PHE A 52 1.895 3.695 3.247 1.00 0.00 C ATOM 781 O PHE A 52 1.852 4.639 2.458 1.00 0.00 O ATOM 782 CB PHE A 52 -0.075 2.418 4.112 1.00 0.00 C ATOM 783 CG PHE A 52 -0.868 2.000 5.317 1.00 0.00 C ATOM 784 CD1 PHE A 52 -0.312 1.166 6.274 1.00 0.00 C ATOM 785 CD2 PHE A 52 -2.170 2.442 5.494 1.00 0.00 C ATOM 786 CE1 PHE A 52 -1.040 0.779 7.383 1.00 0.00 C ATOM 787 CE2 PHE A 52 -2.902 2.059 6.602 1.00 0.00 C ATOM 788 CZ PHE A 52 -2.336 1.227 7.548 1.00 0.00 C ATOM 0 H PHE A 52 0.055 5.378 3.699 1.00 0.00 H new ATOM 0 HA PHE A 52 1.425 3.382 5.311 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.762 2.705 3.316 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.495 1.563 3.748 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.702 0.814 6.152 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.617 3.093 4.758 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.596 0.127 8.120 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.916 2.410 6.728 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.906 0.927 8.415 1.00 0.00 H new ATOM 798 N CYS A 53 2.804 2.729 3.170 1.00 0.00 N ATOM 799 CA CYS A 53 3.827 2.722 2.131 1.00 0.00 C ATOM 800 C CYS A 53 3.415 1.824 0.968 1.00 0.00 C ATOM 801 O CYS A 53 2.279 1.357 0.904 1.00 0.00 O ATOM 802 CB CYS A 53 5.164 2.251 2.705 1.00 0.00 C ATOM 803 SG CYS A 53 5.187 0.494 3.187 1.00 0.00 S ATOM 0 H CYS A 53 2.853 1.940 3.815 1.00 0.00 H new ATOM 0 HA CYS A 53 3.938 3.740 1.759 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.946 2.424 1.966 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.408 2.859 3.576 1.00 0.00 H new ATOM 808 N ASN A 54 4.347 1.588 0.051 1.00 0.00 N ATOM 809 CA ASN A 54 4.081 0.747 -1.110 1.00 0.00 C ATOM 810 C ASN A 54 3.856 -0.703 -0.691 1.00 0.00 C ATOM 811 O ASN A 54 2.864 -1.325 -1.072 1.00 0.00 O ATOM 812 CB ASN A 54 5.244 0.828 -2.102 1.00 0.00 C ATOM 813 CG ASN A 54 4.772 1.014 -3.531 1.00 0.00 C ATOM 814 OD1 ASN A 54 4.021 0.194 -4.060 1.00 0.00 O ATOM 815 ND2 ASN A 54 5.213 2.095 -4.164 1.00 0.00 N ATOM 0 H ASN A 54 5.293 1.967 0.089 1.00 0.00 H new ATOM 0 HA ASN A 54 3.174 1.113 -1.592 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.896 1.657 -1.827 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.840 -0.082 -2.034 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.930 2.272 -5.128 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.834 2.748 -3.686 1.00 0.00 H new ATOM 822 N THR A 55 4.785 -1.237 0.096 1.00 0.00 N ATOM 823 CA THR A 55 4.689 -2.613 0.567 1.00 0.00 C ATOM 824 C THR A 55 3.375 -2.852 1.303 1.00 0.00 C ATOM 825 O THR A 55 2.874 -3.976 1.350 1.00 0.00 O ATOM 826 CB THR A 55 5.859 -2.970 1.502 1.00 0.00 C ATOM 827 OG1 THR A 55 7.004 -2.171 1.181 1.00 0.00 O ATOM 828 CG2 THR A 55 6.215 -4.444 1.386 1.00 0.00 C ATOM 0 H THR A 55 5.613 -0.737 0.421 1.00 0.00 H new ATOM 0 HA THR A 55 4.730 -3.252 -0.315 1.00 0.00 H new ATOM 0 HB THR A 55 5.550 -2.767 2.527 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.743 -2.403 1.781 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.044 -4.672 2.056 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.351 -5.050 1.659 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.506 -4.668 0.360 1.00 0.00 H new ATOM 836 N CYS A 56 2.820 -1.788 1.875 1.00 0.00 N ATOM 837 CA CYS A 56 1.564 -1.882 2.608 1.00 0.00 C ATOM 838 C CYS A 56 0.374 -1.648 1.682 1.00 0.00 C ATOM 839 O CYS A 56 -0.694 -2.230 1.867 1.00 0.00 O ATOM 840 CB CYS A 56 1.541 -0.867 3.753 1.00 0.00 C ATOM 841 SG CYS A 56 2.683 -1.257 5.116 1.00 0.00 S ATOM 0 H CYS A 56 3.221 -0.851 1.845 1.00 0.00 H new ATOM 0 HA CYS A 56 1.488 -2.888 3.021 1.00 0.00 H new ATOM 0 HB2 CYS A 56 1.789 0.118 3.356 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.527 -0.805 4.149 1.00 0.00 H new ATOM 846 N SER A 57 0.568 -0.792 0.684 1.00 0.00 N ATOM 847 CA SER A 57 -0.489 -0.477 -0.270 1.00 0.00 C ATOM 848 C SER A 57 -0.232 -1.159 -1.610 1.00 0.00 C ATOM 849 O SER A 57 -0.287 -0.524 -2.663 1.00 0.00 O ATOM 850 CB SER A 57 -0.594 1.036 -0.467 1.00 0.00 C ATOM 851 OG SER A 57 0.546 1.543 -1.139 1.00 0.00 O ATOM 0 H SER A 57 1.448 -0.304 0.515 1.00 0.00 H new ATOM 0 HA SER A 57 -1.431 -0.849 0.133 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.492 1.270 -1.040 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.697 1.526 0.501 1.00 0.00 H new ATOM 0 HG SER A 57 1.235 1.777 -0.483 1.00 0.00 H new ATOM 857 N SER A 58 0.049 -2.458 -1.562 1.00 0.00 N ATOM 858 CA SER A 58 0.318 -3.227 -2.771 1.00 0.00 C ATOM 859 C SER A 58 -0.868 -4.120 -3.122 1.00 0.00 C ATOM 860 O SER A 58 -0.701 -5.190 -3.706 1.00 0.00 O ATOM 861 CB SER A 58 1.576 -4.078 -2.590 1.00 0.00 C ATOM 862 OG SER A 58 1.591 -4.701 -1.317 1.00 0.00 O ATOM 0 H SER A 58 0.096 -2.999 -0.699 1.00 0.00 H new ATOM 0 HA SER A 58 0.477 -2.526 -3.590 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.621 -4.837 -3.371 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.461 -3.452 -2.703 1.00 0.00 H new ATOM 0 HG SER A 58 2.121 -4.161 -0.695 1.00 0.00 H new ATOM 868 N ASN A 59 -2.066 -3.672 -2.762 1.00 0.00 N ATOM 869 CA ASN A 59 -3.281 -4.430 -3.037 1.00 0.00 C ATOM 870 C ASN A 59 -4.434 -3.498 -3.396 1.00 0.00 C ATOM 871 O ASN A 59 -4.504 -2.368 -2.914 1.00 0.00 O ATOM 872 CB ASN A 59 -3.659 -5.285 -1.826 1.00 0.00 C ATOM 873 CG ASN A 59 -2.506 -6.141 -1.340 1.00 0.00 C ATOM 874 OD1 ASN A 59 -2.209 -7.187 -1.917 1.00 0.00 O ATOM 875 ND2 ASN A 59 -1.850 -5.700 -0.273 1.00 0.00 N ATOM 0 H ASN A 59 -2.222 -2.787 -2.279 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.087 -5.083 -3.888 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.992 -4.636 -1.016 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.500 -5.927 -2.087 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.065 -6.234 0.100 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.131 -4.827 0.174 1.00 0.00 H new ATOM 882 N GLU A 60 -5.335 -3.980 -4.246 1.00 0.00 N ATOM 883 CA GLU A 60 -6.485 -3.190 -4.669 1.00 0.00 C ATOM 884 C GLU A 60 -7.781 -3.976 -4.492 1.00 0.00 C ATOM 885 O GLU A 60 -7.786 -5.207 -4.543 1.00 0.00 O ATOM 886 CB GLU A 60 -6.330 -2.765 -6.131 1.00 0.00 C ATOM 887 CG GLU A 60 -5.107 -1.900 -6.386 1.00 0.00 C ATOM 888 CD GLU A 60 -4.001 -2.651 -7.102 1.00 0.00 C ATOM 889 OE1 GLU A 60 -4.185 -2.989 -8.290 1.00 0.00 O ATOM 890 OE2 GLU A 60 -2.951 -2.900 -6.474 1.00 0.00 O ATOM 0 H GLU A 60 -5.291 -4.913 -4.655 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.532 -2.300 -4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.271 -3.656 -6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.222 -2.219 -6.438 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.397 -1.034 -6.981 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.729 -1.523 -5.436 1.00 0.00 H new ATOM 897 N LEU A 61 -8.878 -3.257 -4.282 1.00 0.00 N ATOM 898 CA LEU A 61 -10.181 -3.886 -4.096 1.00 0.00 C ATOM 899 C LEU A 61 -11.300 -2.978 -4.597 1.00 0.00 C ATOM 900 O LEU A 61 -11.231 -1.757 -4.460 1.00 0.00 O ATOM 901 CB LEU A 61 -10.402 -4.219 -2.620 1.00 0.00 C ATOM 902 CG LEU A 61 -11.322 -5.406 -2.330 1.00 0.00 C ATOM 903 CD1 LEU A 61 -10.712 -6.695 -2.859 1.00 0.00 C ATOM 904 CD2 LEU A 61 -11.596 -5.517 -0.837 1.00 0.00 C ATOM 0 H LEU A 61 -8.891 -2.238 -4.236 1.00 0.00 H new ATOM 0 HA LEU A 61 -10.198 -4.808 -4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.432 -4.417 -2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -10.813 -3.338 -2.127 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.270 -5.240 -2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -11.380 -7.529 -2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.568 -6.614 -3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.750 -6.867 -2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.252 -6.367 -0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.656 -5.660 -0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -12.076 -4.604 -0.486 1.00 0.00 H new ATOM 916 N ALA A 62 -12.332 -3.584 -5.176 1.00 0.00 N ATOM 917 CA ALA A 62 -13.467 -2.831 -5.694 1.00 0.00 C ATOM 918 C ALA A 62 -14.465 -2.512 -4.586 1.00 0.00 C ATOM 919 O ALA A 62 -15.216 -3.382 -4.142 1.00 0.00 O ATOM 920 CB ALA A 62 -14.148 -3.606 -6.812 1.00 0.00 C ATOM 0 H ALA A 62 -12.405 -4.594 -5.298 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.094 -1.888 -6.095 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.994 -3.032 -7.190 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.437 -3.779 -7.620 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.501 -4.563 -6.428 1.00 0.00 H new ATOM 926 N LEU A 63 -14.468 -1.260 -4.142 1.00 0.00 N ATOM 927 CA LEU A 63 -15.373 -0.825 -3.084 1.00 0.00 C ATOM 928 C LEU A 63 -16.682 -0.304 -3.668 1.00 0.00 C ATOM 929 O LEU A 63 -16.761 0.078 -4.836 1.00 0.00 O ATOM 930 CB LEU A 63 -14.712 0.262 -2.234 1.00 0.00 C ATOM 931 CG LEU A 63 -13.777 -0.227 -1.128 1.00 0.00 C ATOM 932 CD1 LEU A 63 -13.064 0.946 -0.474 1.00 0.00 C ATOM 933 CD2 LEU A 63 -14.551 -1.028 -0.091 1.00 0.00 C ATOM 0 H LEU A 63 -13.854 -0.528 -4.498 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.595 -1.686 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -14.147 0.919 -2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -15.497 0.866 -1.778 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.026 -0.878 -1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.403 0.578 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.477 1.479 -1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.800 1.623 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.870 -1.368 0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -15.324 -0.400 0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -15.015 -1.891 -0.569 1.00 0.00 H new ATOM 945 N PRO A 64 -17.735 -0.285 -2.837 1.00 0.00 N ATOM 946 CA PRO A 64 -19.060 0.190 -3.248 1.00 0.00 C ATOM 947 C PRO A 64 -19.090 1.697 -3.478 1.00 0.00 C ATOM 948 O PRO A 64 -20.017 2.222 -4.094 1.00 0.00 O ATOM 949 CB PRO A 64 -19.955 -0.189 -2.066 1.00 0.00 C ATOM 950 CG PRO A 64 -19.034 -0.246 -0.896 1.00 0.00 C ATOM 951 CD PRO A 64 -17.714 -0.726 -1.432 1.00 0.00 C ATOM 0 HA PRO A 64 -19.374 -0.248 -4.195 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -20.743 0.548 -1.914 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -20.444 -1.149 -2.232 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -18.933 0.734 -0.431 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -19.415 -0.924 -0.132 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -16.877 -0.291 -0.887 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.618 -1.809 -1.352 1.00 0.00 H new ATOM 959 N SER A 65 -18.070 2.387 -2.978 1.00 0.00 N ATOM 960 CA SER A 65 -17.981 3.835 -3.126 1.00 0.00 C ATOM 961 C SER A 65 -17.516 4.210 -4.530 1.00 0.00 C ATOM 962 O SER A 65 -18.135 5.036 -5.201 1.00 0.00 O ATOM 963 CB SER A 65 -17.022 4.418 -2.086 1.00 0.00 C ATOM 964 OG SER A 65 -17.652 5.433 -1.324 1.00 0.00 O ATOM 0 H SER A 65 -17.294 1.967 -2.467 1.00 0.00 H new ATOM 0 HA SER A 65 -18.975 4.253 -2.967 1.00 0.00 H new ATOM 0 HB2 SER A 65 -16.673 3.626 -1.424 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.143 4.826 -2.585 1.00 0.00 H new ATOM 0 HG SER A 65 -17.019 5.788 -0.666 1.00 0.00 H new ATOM 970 N TYR A 66 -16.422 3.597 -4.967 1.00 0.00 N ATOM 971 CA TYR A 66 -15.871 3.868 -6.289 1.00 0.00 C ATOM 972 C TYR A 66 -16.281 2.784 -7.282 1.00 0.00 C ATOM 973 O TYR A 66 -16.557 1.642 -6.915 1.00 0.00 O ATOM 974 CB TYR A 66 -14.346 3.962 -6.220 1.00 0.00 C ATOM 975 CG TYR A 66 -13.847 5.057 -5.305 1.00 0.00 C ATOM 976 CD1 TYR A 66 -13.665 6.352 -5.774 1.00 0.00 C ATOM 977 CD2 TYR A 66 -13.560 4.797 -3.971 1.00 0.00 C ATOM 978 CE1 TYR A 66 -13.209 7.356 -4.942 1.00 0.00 C ATOM 979 CE2 TYR A 66 -13.105 5.795 -3.131 1.00 0.00 C ATOM 980 CZ TYR A 66 -12.930 7.072 -3.621 1.00 0.00 C ATOM 981 OH TYR A 66 -12.477 8.070 -2.788 1.00 0.00 O ATOM 0 H TYR A 66 -15.899 2.909 -4.425 1.00 0.00 H new ATOM 0 HA TYR A 66 -16.271 4.822 -6.633 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -13.947 3.006 -5.880 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -13.955 4.132 -7.223 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -13.884 6.578 -6.807 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -13.695 3.798 -3.584 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -13.072 8.357 -5.323 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -12.888 5.576 -2.096 1.00 0.00 H new ATOM 0 HH TYR A 66 -12.329 7.705 -1.891 1.00 0.00 H new ATOM 991 N PRO A 67 -16.321 3.150 -8.572 1.00 0.00 N ATOM 992 CA PRO A 67 -16.694 2.224 -9.646 1.00 0.00 C ATOM 993 C PRO A 67 -15.636 1.152 -9.881 1.00 0.00 C ATOM 994 O PRO A 67 -15.958 -0.017 -10.095 1.00 0.00 O ATOM 995 CB PRO A 67 -16.816 3.133 -10.871 1.00 0.00 C ATOM 996 CG PRO A 67 -15.933 4.295 -10.570 1.00 0.00 C ATOM 997 CD PRO A 67 -16.004 4.494 -9.082 1.00 0.00 C ATOM 0 HA PRO A 67 -17.606 1.675 -9.413 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -16.499 2.619 -11.778 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -17.847 3.450 -11.028 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -14.909 4.100 -10.889 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -16.268 5.187 -11.099 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -15.060 4.864 -8.681 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -16.772 5.218 -8.810 1.00 0.00 H new ATOM 1005 N LYS A 68 -14.371 1.556 -9.840 1.00 0.00 N ATOM 1006 CA LYS A 68 -13.264 0.630 -10.047 1.00 0.00 C ATOM 1007 C LYS A 68 -12.446 0.467 -8.770 1.00 0.00 C ATOM 1008 O LYS A 68 -12.457 1.321 -7.883 1.00 0.00 O ATOM 1009 CB LYS A 68 -12.365 1.124 -11.182 1.00 0.00 C ATOM 1010 CG LYS A 68 -12.114 2.622 -11.152 1.00 0.00 C ATOM 1011 CD LYS A 68 -10.935 3.008 -12.030 1.00 0.00 C ATOM 1012 CE LYS A 68 -10.459 4.421 -11.733 1.00 0.00 C ATOM 1013 NZ LYS A 68 -11.117 5.425 -12.615 1.00 0.00 N ATOM 0 H LYS A 68 -14.087 2.520 -9.665 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.680 -0.341 -10.318 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.409 0.603 -11.130 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.821 0.860 -12.136 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.007 3.148 -11.489 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.925 2.940 -10.127 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.116 2.306 -11.871 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.221 2.932 -13.079 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.666 4.662 -10.690 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.378 4.475 -11.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.766 6.376 -12.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.899 5.210 -13.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.147 5.391 -12.472 1.00 0.00 H new ATOM 1027 N PRO A 69 -11.717 -0.655 -8.673 1.00 0.00 N ATOM 1028 CA PRO A 69 -10.877 -0.955 -7.509 1.00 0.00 C ATOM 1029 C PRO A 69 -9.661 -0.041 -7.421 1.00 0.00 C ATOM 1030 O PRO A 69 -8.876 0.059 -8.364 1.00 0.00 O ATOM 1031 CB PRO A 69 -10.442 -2.403 -7.750 1.00 0.00 C ATOM 1032 CG PRO A 69 -10.515 -2.580 -9.227 1.00 0.00 C ATOM 1033 CD PRO A 69 -11.656 -1.717 -9.691 1.00 0.00 C ATOM 0 HA PRO A 69 -11.412 -0.807 -6.571 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.432 -2.580 -7.380 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.098 -3.104 -7.234 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.581 -2.281 -9.703 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.685 -3.625 -9.487 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.473 -1.310 -10.686 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -12.589 -2.278 -9.743 1.00 0.00 H new ATOM 1041 N VAL A 70 -9.509 0.626 -6.281 1.00 0.00 N ATOM 1042 CA VAL A 70 -8.386 1.532 -6.069 1.00 0.00 C ATOM 1043 C VAL A 70 -7.339 0.905 -5.155 1.00 0.00 C ATOM 1044 O VAL A 70 -7.483 -0.239 -4.723 1.00 0.00 O ATOM 1045 CB VAL A 70 -8.850 2.868 -5.459 1.00 0.00 C ATOM 1046 CG1 VAL A 70 -9.615 3.688 -6.487 1.00 0.00 C ATOM 1047 CG2 VAL A 70 -9.701 2.621 -4.222 1.00 0.00 C ATOM 0 H VAL A 70 -10.149 0.556 -5.490 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.944 1.722 -7.047 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.969 3.436 -5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.935 4.628 -6.038 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.970 3.895 -7.341 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.490 3.129 -6.820 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.020 3.575 -3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.577 2.033 -4.495 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.116 2.077 -3.480 1.00 0.00 H new ATOM 1057 N ARG A 71 -6.286 1.662 -4.864 1.00 0.00 N ATOM 1058 CA ARG A 71 -5.214 1.180 -4.002 1.00 0.00 C ATOM 1059 C ARG A 71 -5.586 1.342 -2.530 1.00 0.00 C ATOM 1060 O ARG A 71 -5.864 2.448 -2.067 1.00 0.00 O ATOM 1061 CB ARG A 71 -3.916 1.934 -4.296 1.00 0.00 C ATOM 1062 CG ARG A 71 -2.671 1.226 -3.787 1.00 0.00 C ATOM 1063 CD ARG A 71 -1.444 2.119 -3.882 1.00 0.00 C ATOM 1064 NE ARG A 71 -0.379 1.503 -4.670 1.00 0.00 N ATOM 1065 CZ ARG A 71 -0.353 1.503 -5.998 1.00 0.00 C ATOM 1066 NH1 ARG A 71 -1.328 2.084 -6.683 1.00 0.00 N ATOM 1067 NH2 ARG A 71 0.650 0.922 -6.643 1.00 0.00 N ATOM 0 H ARG A 71 -6.153 2.611 -5.213 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.065 0.120 -4.208 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.826 2.079 -5.373 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.971 2.924 -3.844 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.822 0.922 -2.751 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.506 0.317 -4.365 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.723 3.072 -4.332 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.075 2.336 -2.880 1.00 0.00 H new ATOM 0 HE ARG A 71 0.387 1.048 -4.173 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.100 2.532 -6.190 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.306 2.083 -7.703 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.402 0.475 -6.119 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.669 0.923 -7.663 1.00 0.00 H new ATOM 1081 N VAL A 72 -5.589 0.231 -1.801 1.00 0.00 N ATOM 1082 CA VAL A 72 -5.925 0.248 -0.382 1.00 0.00 C ATOM 1083 C VAL A 72 -4.782 -0.304 0.461 1.00 0.00 C ATOM 1084 O VAL A 72 -3.750 -0.719 -0.068 1.00 0.00 O ATOM 1085 CB VAL A 72 -7.200 -0.569 -0.098 1.00 0.00 C ATOM 1086 CG1 VAL A 72 -8.433 0.181 -0.577 1.00 0.00 C ATOM 1087 CG2 VAL A 72 -7.111 -1.939 -0.752 1.00 0.00 C ATOM 0 H VAL A 72 -5.362 -0.693 -2.170 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.101 1.289 -0.111 1.00 0.00 H new ATOM 0 HB VAL A 72 -7.287 -0.711 0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.324 -0.412 -0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.503 1.136 -0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.358 0.357 -1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.020 -2.503 -0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.999 -1.821 -1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.250 -2.477 -0.354 1.00 0.00 H new ATOM 1097 N CYS A 73 -4.971 -0.306 1.776 1.00 0.00 N ATOM 1098 CA CYS A 73 -3.956 -0.807 2.695 1.00 0.00 C ATOM 1099 C CYS A 73 -4.235 -2.259 3.074 1.00 0.00 C ATOM 1100 O CYS A 73 -5.368 -2.731 2.975 1.00 0.00 O ATOM 1101 CB CYS A 73 -3.905 0.060 3.954 1.00 0.00 C ATOM 1102 SG CYS A 73 -5.362 -0.112 5.035 1.00 0.00 S ATOM 0 H CYS A 73 -5.819 0.034 2.230 1.00 0.00 H new ATOM 0 HA CYS A 73 -2.990 -0.760 2.191 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.011 -0.197 4.523 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.806 1.105 3.659 1.00 0.00 H new ATOM 1107 N ASP A 74 -3.195 -2.961 3.510 1.00 0.00 N ATOM 1108 CA ASP A 74 -3.327 -4.358 3.906 1.00 0.00 C ATOM 1109 C ASP A 74 -4.375 -4.515 5.003 1.00 0.00 C ATOM 1110 O ASP A 74 -5.030 -5.553 5.106 1.00 0.00 O ATOM 1111 CB ASP A 74 -1.981 -4.903 4.387 1.00 0.00 C ATOM 1112 CG ASP A 74 -1.628 -6.227 3.739 1.00 0.00 C ATOM 1113 OD1 ASP A 74 -2.514 -7.104 3.659 1.00 0.00 O ATOM 1114 OD2 ASP A 74 -0.465 -6.388 3.312 1.00 0.00 O ATOM 0 H ASP A 74 -2.251 -2.585 3.598 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.651 -4.928 3.035 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.199 -4.175 4.170 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.009 -5.027 5.470 1.00 0.00 H new ATOM 1119 N SER A 75 -4.528 -3.479 5.820 1.00 0.00 N ATOM 1120 CA SER A 75 -5.494 -3.503 6.913 1.00 0.00 C ATOM 1121 C SER A 75 -6.919 -3.590 6.376 1.00 0.00 C ATOM 1122 O SER A 75 -7.815 -4.113 7.041 1.00 0.00 O ATOM 1123 CB SER A 75 -5.340 -2.256 7.786 1.00 0.00 C ATOM 1124 OG SER A 75 -5.556 -2.561 9.153 1.00 0.00 O ATOM 0 H SER A 75 -3.996 -2.612 5.747 1.00 0.00 H new ATOM 0 HA SER A 75 -5.298 -4.388 7.519 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.341 -1.839 7.657 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.049 -1.493 7.464 1.00 0.00 H new ATOM 0 HG SER A 75 -5.450 -1.748 9.690 1.00 0.00 H new ATOM 1130 N CYS A 76 -7.123 -3.073 5.170 1.00 0.00 N ATOM 1131 CA CYS A 76 -8.439 -3.090 4.542 1.00 0.00 C ATOM 1132 C CYS A 76 -8.570 -4.273 3.587 1.00 0.00 C ATOM 1133 O CYS A 76 -9.563 -5.001 3.617 1.00 0.00 O ATOM 1134 CB CYS A 76 -8.684 -1.781 3.787 1.00 0.00 C ATOM 1135 SG CYS A 76 -9.073 -0.364 4.863 1.00 0.00 S ATOM 0 H CYS A 76 -6.393 -2.636 4.607 1.00 0.00 H new ATOM 0 HA CYS A 76 -9.188 -3.194 5.327 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.799 -1.543 3.197 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -9.505 -1.927 3.085 1.00 0.00 H new ATOM 1140 N HIS A 77 -7.562 -4.458 2.740 1.00 0.00 N ATOM 1141 CA HIS A 77 -7.565 -5.553 1.777 1.00 0.00 C ATOM 1142 C HIS A 77 -7.808 -6.889 2.473 1.00 0.00 C ATOM 1143 O HIS A 77 -8.699 -7.648 2.090 1.00 0.00 O ATOM 1144 CB HIS A 77 -6.238 -5.595 1.017 1.00 0.00 C ATOM 1145 CG HIS A 77 -6.260 -6.499 -0.177 1.00 0.00 C ATOM 1146 ND1 HIS A 77 -7.002 -6.453 -1.308 1.00 0.00 N flip ATOM 1147 CD2 HIS A 77 -5.450 -7.608 -0.296 1.00 0.00 C flip ATOM 1148 CE1 HIS A 77 -6.630 -7.524 -2.083 1.00 0.00 C flip ATOM 1149 NE2 HIS A 77 -5.692 -8.205 -1.450 1.00 0.00 N flip ATOM 0 H HIS A 77 -6.734 -3.864 2.701 1.00 0.00 H new ATOM 0 HA HIS A 77 -8.376 -5.379 1.070 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -5.982 -4.586 0.694 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -5.450 -5.922 1.696 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -4.730 -7.937 0.439 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -7.038 -7.769 -3.052 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -5.232 -9.048 -1.793 1.00 0.00 H new ATOM 1157 N THR A 78 -7.010 -7.171 3.498 1.00 0.00 N ATOM 1158 CA THR A 78 -7.137 -8.415 4.246 1.00 0.00 C ATOM 1159 C THR A 78 -8.458 -8.468 5.005 1.00 0.00 C ATOM 1160 O THR A 78 -9.115 -9.508 5.056 1.00 0.00 O ATOM 1161 CB THR A 78 -5.977 -8.591 5.244 1.00 0.00 C ATOM 1162 OG1 THR A 78 -4.731 -8.300 4.603 1.00 0.00 O ATOM 1163 CG2 THR A 78 -5.950 -10.009 5.797 1.00 0.00 C ATOM 0 H THR A 78 -6.268 -6.554 3.829 1.00 0.00 H new ATOM 0 HA THR A 78 -7.107 -9.226 3.518 1.00 0.00 H new ATOM 0 HB THR A 78 -6.130 -7.898 6.071 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.551 -7.338 4.659 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.123 -10.110 6.499 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.889 -10.217 6.310 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.819 -10.716 4.978 1.00 0.00 H new ATOM 1171 N LEU A 79 -8.843 -7.340 5.591 1.00 0.00 N ATOM 1172 CA LEU A 79 -10.088 -7.257 6.348 1.00 0.00 C ATOM 1173 C LEU A 79 -11.284 -7.603 5.467 1.00 0.00 C ATOM 1174 O LEU A 79 -11.999 -8.572 5.724 1.00 0.00 O ATOM 1175 CB LEU A 79 -10.260 -5.855 6.933 1.00 0.00 C ATOM 1176 CG LEU A 79 -11.661 -5.504 7.436 1.00 0.00 C ATOM 1177 CD1 LEU A 79 -12.097 -6.476 8.521 1.00 0.00 C ATOM 1178 CD2 LEU A 79 -11.699 -4.073 7.953 1.00 0.00 C ATOM 0 H LEU A 79 -8.312 -6.470 5.557 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.038 -7.980 7.162 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -9.559 -5.740 7.760 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.977 -5.128 6.172 1.00 0.00 H new ATOM 0 HG LEU A 79 -12.357 -5.586 6.601 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -13.096 -6.211 8.867 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -12.109 -7.489 8.119 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.399 -6.426 9.356 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -12.703 -3.841 8.307 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.991 -3.964 8.774 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.430 -3.388 7.149 1.00 0.00 H new ATOM 1190 N LEU A 80 -11.495 -6.806 4.425 1.00 0.00 N ATOM 1191 CA LEU A 80 -12.604 -7.028 3.503 1.00 0.00 C ATOM 1192 C LEU A 80 -12.602 -8.463 2.985 1.00 0.00 C ATOM 1193 O LEU A 80 -13.622 -9.151 3.027 1.00 0.00 O ATOM 1194 CB LEU A 80 -12.522 -6.050 2.330 1.00 0.00 C ATOM 1195 CG LEU A 80 -12.738 -4.575 2.670 1.00 0.00 C ATOM 1196 CD1 LEU A 80 -11.880 -3.690 1.779 1.00 0.00 C ATOM 1197 CD2 LEU A 80 -14.208 -4.206 2.535 1.00 0.00 C ATOM 0 H LEU A 80 -10.913 -6.000 4.197 1.00 0.00 H new ATOM 0 HA LEU A 80 -13.534 -6.858 4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.543 -6.155 1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.263 -6.343 1.586 1.00 0.00 H new ATOM 0 HG LEU A 80 -12.437 -4.413 3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -12.047 -2.644 2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.828 -3.936 1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.149 -3.855 0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -14.343 -3.153 2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.535 -4.384 1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -14.800 -4.816 3.217 1.00 0.00 H new ATOM 1209 N LEU A 81 -11.449 -8.909 2.499 1.00 0.00 N ATOM 1210 CA LEU A 81 -11.312 -10.263 1.975 1.00 0.00 C ATOM 1211 C LEU A 81 -11.817 -11.291 2.983 1.00 0.00 C ATOM 1212 O LEU A 81 -12.310 -12.353 2.605 1.00 0.00 O ATOM 1213 CB LEU A 81 -9.851 -10.550 1.624 1.00 0.00 C ATOM 1214 CG LEU A 81 -9.383 -10.069 0.250 1.00 0.00 C ATOM 1215 CD1 LEU A 81 -7.875 -9.875 0.238 1.00 0.00 C ATOM 1216 CD2 LEU A 81 -9.806 -11.052 -0.832 1.00 0.00 C ATOM 0 H LEU A 81 -10.595 -8.352 2.457 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.918 -10.340 1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.219 -10.089 2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.688 -11.626 1.685 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.854 -9.108 0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.560 -9.533 -0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.598 -9.132 0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.385 -10.821 0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.464 -10.693 -1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.365 -12.028 -0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.892 -11.140 -0.839 1.00 0.00 H new ATOM 1228 N GLN A 82 -11.692 -10.965 4.265 1.00 0.00 N ATOM 1229 CA GLN A 82 -12.137 -11.860 5.327 1.00 0.00 C ATOM 1230 C GLN A 82 -13.378 -11.308 6.019 1.00 0.00 C ATOM 1231 O GLN A 82 -13.370 -11.060 7.225 1.00 0.00 O ATOM 1232 CB GLN A 82 -11.018 -12.068 6.349 1.00 0.00 C ATOM 1233 CG GLN A 82 -9.733 -12.608 5.744 1.00 0.00 C ATOM 1234 CD GLN A 82 -9.772 -14.109 5.534 1.00 0.00 C ATOM 1235 OE1 GLN A 82 -10.844 -14.702 5.409 1.00 0.00 O ATOM 1236 NE2 GLN A 82 -8.600 -14.732 5.493 1.00 0.00 N ATOM 0 H GLN A 82 -11.287 -10.089 4.594 1.00 0.00 H new ATOM 0 HA GLN A 82 -12.391 -12.820 4.877 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.807 -11.119 6.842 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -11.364 -12.757 7.119 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.551 -12.116 4.789 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -8.896 -12.358 6.396 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.736 -14.201 5.601 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.564 -15.742 5.353 1.00 0.00 H new ATOM 1245 N ARG A 83 -14.444 -11.116 5.248 1.00 0.00 N ATOM 1246 CA ARG A 83 -15.693 -10.592 5.787 1.00 0.00 C ATOM 1247 C ARG A 83 -16.714 -11.709 5.980 1.00 0.00 C ATOM 1248 O ARG A 83 -17.552 -11.650 6.881 1.00 0.00 O ATOM 1249 CB ARG A 83 -16.264 -9.519 4.858 1.00 0.00 C ATOM 1250 CG ARG A 83 -16.521 -10.014 3.444 1.00 0.00 C ATOM 1251 CD ARG A 83 -17.090 -8.912 2.563 1.00 0.00 C ATOM 1252 NE ARG A 83 -18.316 -9.328 1.888 1.00 0.00 N ATOM 1253 CZ ARG A 83 -18.920 -8.607 0.950 1.00 0.00 C ATOM 1254 NH1 ARG A 83 -18.413 -7.439 0.578 1.00 0.00 N ATOM 1255 NH2 ARG A 83 -20.032 -9.054 0.381 1.00 0.00 N ATOM 0 H ARG A 83 -14.467 -11.316 4.248 1.00 0.00 H new ATOM 0 HA ARG A 83 -15.481 -10.146 6.759 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -17.197 -9.145 5.279 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -15.572 -8.678 4.820 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -15.591 -10.383 3.012 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -17.215 -10.854 3.472 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -17.292 -8.030 3.171 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.347 -8.623 1.819 1.00 0.00 H new ATOM 0 HE ARG A 83 -18.732 -10.222 2.151 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -17.558 -7.093 1.012 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -18.879 -6.887 -0.142 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -20.424 -9.952 0.664 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -20.495 -8.499 -0.339 1.00 0.00 H new ATOM 1269 N CYS A 84 -16.638 -12.726 5.128 1.00 0.00 N ATOM 1270 CA CYS A 84 -17.556 -13.857 5.204 1.00 0.00 C ATOM 1271 C CYS A 84 -19.004 -13.389 5.102 1.00 0.00 C ATOM 1272 O CYS A 84 -19.271 -12.208 4.876 1.00 0.00 O ATOM 1273 CB CYS A 84 -17.346 -14.625 6.509 1.00 0.00 C ATOM 1274 SG CYS A 84 -15.623 -15.060 6.841 1.00 0.00 S ATOM 0 H CYS A 84 -15.951 -12.790 4.377 1.00 0.00 H new ATOM 0 HA CYS A 84 -17.347 -14.520 4.364 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -17.724 -14.024 7.336 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -17.941 -15.538 6.480 1.00 0.00 H new ATOM 0 HG CYS A 84 -15.548 -15.705 7.967 1.00 0.00 H new ATOM 1280 N SER A 85 -19.936 -14.322 5.269 1.00 0.00 N ATOM 1281 CA SER A 85 -21.357 -14.007 5.191 1.00 0.00 C ATOM 1282 C SER A 85 -21.779 -13.107 6.348 1.00 0.00 C ATOM 1283 O SER A 85 -22.536 -12.154 6.165 1.00 0.00 O ATOM 1284 CB SER A 85 -22.188 -15.291 5.200 1.00 0.00 C ATOM 1285 OG SER A 85 -22.346 -15.787 6.518 1.00 0.00 O ATOM 0 H SER A 85 -19.732 -15.303 5.459 1.00 0.00 H new ATOM 0 HA SER A 85 -21.534 -13.475 4.256 1.00 0.00 H new ATOM 0 HB2 SER A 85 -23.167 -15.097 4.761 1.00 0.00 H new ATOM 0 HB3 SER A 85 -21.704 -16.045 4.580 1.00 0.00 H new ATOM 0 HG SER A 85 -22.882 -16.607 6.497 1.00 0.00 H new ATOM 1291 N SER A 86 -21.281 -13.417 7.541 1.00 0.00 N ATOM 1292 CA SER A 86 -21.609 -12.639 8.731 1.00 0.00 C ATOM 1293 C SER A 86 -20.692 -11.425 8.856 1.00 0.00 C ATOM 1294 O SER A 86 -19.482 -11.522 8.649 1.00 0.00 O ATOM 1295 CB SER A 86 -21.493 -13.511 9.983 1.00 0.00 C ATOM 1296 OG SER A 86 -21.448 -14.886 9.645 1.00 0.00 O ATOM 0 H SER A 86 -20.650 -14.200 7.709 1.00 0.00 H new ATOM 0 HA SER A 86 -22.636 -12.288 8.635 1.00 0.00 H new ATOM 0 HB2 SER A 86 -20.594 -13.240 10.537 1.00 0.00 H new ATOM 0 HB3 SER A 86 -22.341 -13.323 10.641 1.00 0.00 H new ATOM 0 HG SER A 86 -21.372 -15.421 10.462 1.00 0.00 H new ATOM 1302 N THR A 87 -21.279 -10.282 9.196 1.00 0.00 N ATOM 1303 CA THR A 87 -20.518 -9.048 9.348 1.00 0.00 C ATOM 1304 C THR A 87 -21.285 -8.028 10.180 1.00 0.00 C ATOM 1305 O THR A 87 -22.474 -8.198 10.447 1.00 0.00 O ATOM 1306 CB THR A 87 -20.178 -8.426 7.980 1.00 0.00 C ATOM 1307 OG1 THR A 87 -19.283 -7.322 8.153 1.00 0.00 O ATOM 1308 CG2 THR A 87 -21.439 -7.958 7.270 1.00 0.00 C ATOM 0 H THR A 87 -22.279 -10.185 9.371 1.00 0.00 H new ATOM 0 HA THR A 87 -19.592 -9.309 9.861 1.00 0.00 H new ATOM 0 HB THR A 87 -19.698 -9.189 7.367 1.00 0.00 H new ATOM 0 HG1 THR A 87 -19.070 -6.933 7.279 1.00 0.00 H new ATOM 0 HG21 THR A 87 -21.174 -7.523 6.307 1.00 0.00 H new ATOM 0 HG22 THR A 87 -22.105 -8.807 7.114 1.00 0.00 H new ATOM 0 HG23 THR A 87 -21.943 -7.209 7.880 1.00 0.00 H new ATOM 1316 N ALA A 88 -20.597 -6.966 10.588 1.00 0.00 N ATOM 1317 CA ALA A 88 -21.215 -5.916 11.388 1.00 0.00 C ATOM 1318 C ALA A 88 -21.936 -4.905 10.504 1.00 0.00 C ATOM 1319 O ALA A 88 -21.398 -4.455 9.492 1.00 0.00 O ATOM 1320 CB ALA A 88 -20.168 -5.220 12.244 1.00 0.00 C ATOM 0 H ALA A 88 -19.611 -6.811 10.377 1.00 0.00 H new ATOM 0 HA ALA A 88 -21.954 -6.379 12.042 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -20.643 -4.438 12.836 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -19.701 -5.946 12.909 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -19.408 -4.776 11.601 1.00 0.00 H new ATOM 1326 N SER A 89 -23.158 -4.551 10.892 1.00 0.00 N ATOM 1327 CA SER A 89 -23.955 -3.596 10.132 1.00 0.00 C ATOM 1328 C SER A 89 -24.173 -2.314 10.930 1.00 0.00 C ATOM 1329 O SER A 89 -24.900 -2.338 11.922 1.00 0.00 O ATOM 1330 CB SER A 89 -25.303 -4.211 9.754 1.00 0.00 C ATOM 1331 OG SER A 89 -26.095 -3.293 9.020 1.00 0.00 O ATOM 0 H SER A 89 -23.617 -4.912 11.728 1.00 0.00 H new ATOM 0 HA SER A 89 -23.409 -3.348 9.222 1.00 0.00 H new ATOM 0 HB2 SER A 89 -25.142 -5.112 9.162 1.00 0.00 H new ATOM 0 HB3 SER A 89 -25.834 -4.514 10.657 1.00 0.00 H new ATOM 0 HG SER A 89 -26.951 -3.711 8.789 1.00 0.00 H new TER 1337 SER A 89 HETATM 1338 ZN ZN A 201 4.431 0.196 5.405 1.00 0.00 ZN HETATM 1339 ZN ZN A 401 -7.179 1.056 4.653 1.00 0.00 ZN