USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 680 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 71 ASN : amide:sc= -1.37 X(o=-2.1,f=-1.7) USER MOD Set 1.2: A 93 ASN : amide:sc= -0.727 K(o=-2.1,f=-7.1!) USER MOD Set 2.1: A 64 HIS :FLIP no HD1:sc= -2.35 F(o=-7.9,f=-5.3) USER MOD Set 2.2: A 90 MET CE :methyl 156:sc= -2.94 (180deg=-2.74!) USER MOD Set 3.1: A 61 MET CE :methyl 169:sc= 0 (180deg=-0.114) USER MOD Set 3.2: A 62 LYS NZ :NH3+ -175:sc= 0 (180deg=0) USER MOD Single : A 1 ILE N :NH3+ 164:sc= 0 (180deg=-0.367) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc=-0.00226 X(o=-0.0023,f=-0.12) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 108:sc= 0.386 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -40:sc= -1.83! USER MOD Single : A 33 THR OG1 : rot 69:sc= 1.03 USER MOD Single : A 34 SER OG : rot 162:sc= 0.0434 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.312 K(o=-0.31,f=-2.7!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 134:sc= 0.0282 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.2 K(o=-0.2,f=-5.5!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.069 X(o=-0.069,f=0) USER MOD Single : A 81 HIS :FLIP no HD1:sc= -0.605 F(o=-1.2,f=-0.61) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= -0.818 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -17.179 11.743 8.359 1.00 0.00 N ATOM 2 CA ILE A 1 -16.984 12.015 6.945 1.00 0.00 C ATOM 3 C ILE A 1 -16.856 13.525 6.735 1.00 0.00 C ATOM 4 O ILE A 1 -17.650 14.124 6.011 1.00 0.00 O ATOM 5 CB ILE A 1 -18.098 11.371 6.117 1.00 0.00 C ATOM 6 CG1 ILE A 1 -19.443 11.465 6.839 1.00 0.00 C ATOM 7 CG2 ILE A 1 -17.744 9.928 5.750 1.00 0.00 C ATOM 8 CD1 ILE A 1 -20.605 11.330 5.853 1.00 0.00 C ATOM 0 H1 ILE A 1 -17.532 10.772 8.480 1.00 0.00 H new ATOM 0 H2 ILE A 1 -16.274 11.847 8.861 1.00 0.00 H new ATOM 0 H3 ILE A 1 -17.870 12.415 8.750 1.00 0.00 H new ATOM 0 HA ILE A 1 -16.056 11.563 6.594 1.00 0.00 H new ATOM 0 HB ILE A 1 -18.194 11.926 5.184 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -19.510 10.682 7.595 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -19.514 12.419 7.361 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -18.552 9.493 5.162 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -16.824 9.916 5.166 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -17.604 9.345 6.660 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -21.550 11.400 6.392 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -20.549 12.129 5.113 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -20.545 10.365 5.350 1.00 0.00 H new ATOM 20 N SER A 2 -15.850 14.097 7.380 1.00 0.00 N ATOM 21 CA SER A 2 -15.608 15.526 7.273 1.00 0.00 C ATOM 22 C SER A 2 -14.296 15.779 6.527 1.00 0.00 C ATOM 23 O SER A 2 -13.391 14.947 6.556 1.00 0.00 O ATOM 24 CB SER A 2 -15.569 16.184 8.653 1.00 0.00 C ATOM 25 OG SER A 2 -14.394 15.834 9.379 1.00 0.00 O ATOM 0 H SER A 2 -15.193 13.597 7.979 1.00 0.00 H new ATOM 0 HA SER A 2 -16.430 15.971 6.712 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.616 17.267 8.539 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.449 15.885 9.222 1.00 0.00 H new ATOM 0 HG SER A 2 -14.406 16.276 10.254 1.00 0.00 H new ATOM 31 N GLU A 3 -14.234 16.932 5.878 1.00 0.00 N ATOM 32 CA GLU A 3 -13.048 17.305 5.126 1.00 0.00 C ATOM 33 C GLU A 3 -12.027 17.978 6.046 1.00 0.00 C ATOM 34 O GLU A 3 -11.838 19.192 5.987 1.00 0.00 O ATOM 35 CB GLU A 3 -13.408 18.215 3.949 1.00 0.00 C ATOM 36 CG GLU A 3 -13.373 17.443 2.629 1.00 0.00 C ATOM 37 CD GLU A 3 -12.838 18.320 1.495 1.00 0.00 C ATOM 38 OE1 GLU A 3 -13.443 19.391 1.273 1.00 0.00 O ATOM 39 OE2 GLU A 3 -11.836 17.900 0.876 1.00 0.00 O ATOM 0 H GLU A 3 -14.986 17.621 5.857 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.600 16.399 4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.401 18.637 4.101 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.710 19.051 3.904 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.745 16.559 2.737 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.375 17.093 2.381 1.00 0.00 H new ATOM 46 N PHE A 4 -11.395 17.159 6.874 1.00 0.00 N ATOM 47 CA PHE A 4 -10.398 17.659 7.805 1.00 0.00 C ATOM 48 C PHE A 4 -9.272 16.642 8.001 1.00 0.00 C ATOM 49 O PHE A 4 -9.337 15.530 7.479 1.00 0.00 O ATOM 50 CB PHE A 4 -11.106 17.881 9.143 1.00 0.00 C ATOM 51 CG PHE A 4 -11.686 19.287 9.314 1.00 0.00 C ATOM 52 CD1 PHE A 4 -12.919 19.579 8.820 1.00 0.00 C ATOM 53 CD2 PHE A 4 -10.969 20.244 9.962 1.00 0.00 C ATOM 54 CE1 PHE A 4 -13.457 20.883 8.979 1.00 0.00 C ATOM 55 CE2 PHE A 4 -11.507 21.548 10.121 1.00 0.00 C ATOM 56 CZ PHE A 4 -12.739 21.841 9.626 1.00 0.00 C ATOM 0 H PHE A 4 -11.554 16.153 6.919 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.958 18.579 7.420 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -11.911 17.153 9.242 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -10.401 17.689 9.952 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -13.489 18.819 8.307 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -9.990 20.012 10.356 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -14.436 21.115 8.587 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.937 22.308 10.635 1.00 0.00 H new ATOM 0 HZ PHE A 4 -13.148 22.833 9.746 1.00 0.00 H new ATOM 66 N ALA A 5 -8.265 17.060 8.754 1.00 0.00 N ATOM 67 CA ALA A 5 -7.126 16.200 9.025 1.00 0.00 C ATOM 68 C ALA A 5 -6.439 15.839 7.706 1.00 0.00 C ATOM 69 O ALA A 5 -7.018 16.010 6.634 1.00 0.00 O ATOM 70 CB ALA A 5 -7.592 14.963 9.797 1.00 0.00 C ATOM 0 H ALA A 5 -8.214 17.983 9.185 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.395 16.717 9.647 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.737 14.318 10.000 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.046 15.271 10.739 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.325 14.418 9.202 1.00 0.00 H new ATOM 76 N PRO A 6 -5.183 15.333 7.831 1.00 0.00 N ATOM 77 CA PRO A 6 -4.412 14.947 6.662 1.00 0.00 C ATOM 78 C PRO A 6 -4.923 13.627 6.080 1.00 0.00 C ATOM 79 O PRO A 6 -5.827 13.007 6.637 1.00 0.00 O ATOM 80 CB PRO A 6 -2.974 14.864 7.149 1.00 0.00 C ATOM 81 CG PRO A 6 -3.053 14.752 8.663 1.00 0.00 C ATOM 82 CD PRO A 6 -4.467 15.116 9.085 1.00 0.00 C ATOM 0 HA PRO A 6 -4.501 15.662 5.844 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -2.465 14.001 6.719 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -2.409 15.748 6.852 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -2.808 13.740 8.984 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -2.331 15.419 9.133 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -4.924 14.317 9.669 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -4.477 16.011 9.707 1.00 0.00 H new ATOM 90 N VAL A 7 -4.321 13.237 4.966 1.00 0.00 N ATOM 91 CA VAL A 7 -4.703 12.003 4.301 1.00 0.00 C ATOM 92 C VAL A 7 -3.808 10.865 4.795 1.00 0.00 C ATOM 93 O VAL A 7 -2.594 11.028 4.903 1.00 0.00 O ATOM 94 CB VAL A 7 -4.654 12.188 2.783 1.00 0.00 C ATOM 95 CG1 VAL A 7 -3.264 11.854 2.236 1.00 0.00 C ATOM 96 CG2 VAL A 7 -5.731 11.350 2.093 1.00 0.00 C ATOM 0 H VAL A 7 -3.571 13.754 4.507 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.731 11.739 4.548 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.857 13.237 2.566 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.255 11.993 1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.525 12.513 2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.020 10.818 2.470 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.674 11.500 1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.574 10.296 2.321 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.714 11.656 2.450 1.00 0.00 H new ATOM 106 N ASP A 8 -4.442 9.737 5.080 1.00 0.00 N ATOM 107 CA ASP A 8 -3.717 8.572 5.560 1.00 0.00 C ATOM 108 C ASP A 8 -3.696 7.504 4.464 1.00 0.00 C ATOM 109 O ASP A 8 -4.559 6.629 4.428 1.00 0.00 O ATOM 110 CB ASP A 8 -4.395 7.971 6.792 1.00 0.00 C ATOM 111 CG ASP A 8 -3.642 6.808 7.442 1.00 0.00 C ATOM 112 OD1 ASP A 8 -2.541 6.493 6.939 1.00 0.00 O ATOM 113 OD2 ASP A 8 -4.184 6.260 8.426 1.00 0.00 O ATOM 0 H ASP A 8 -5.449 9.605 4.988 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.707 8.887 5.822 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.529 8.758 7.534 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.390 7.627 6.509 1.00 0.00 H new ATOM 118 N CYS A 9 -2.699 7.611 3.597 1.00 0.00 N ATOM 119 CA CYS A 9 -2.554 6.666 2.503 1.00 0.00 C ATOM 120 C CYS A 9 -2.759 5.255 3.058 1.00 0.00 C ATOM 121 O CYS A 9 -3.570 4.491 2.537 1.00 0.00 O ATOM 122 CB CYS A 9 -1.201 6.814 1.804 1.00 0.00 C ATOM 123 SG CYS A 9 -1.100 8.198 0.612 1.00 0.00 S ATOM 0 H CYS A 9 -1.984 8.338 3.630 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.306 6.868 1.741 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.429 6.949 2.562 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.975 5.885 1.281 1.00 0.00 H new ATOM 128 N LYS A 10 -2.009 4.951 4.107 1.00 0.00 N ATOM 129 CA LYS A 10 -2.098 3.645 4.738 1.00 0.00 C ATOM 130 C LYS A 10 -3.569 3.245 4.866 1.00 0.00 C ATOM 131 O LYS A 10 -3.958 2.154 4.450 1.00 0.00 O ATOM 132 CB LYS A 10 -1.341 3.640 6.068 1.00 0.00 C ATOM 133 CG LYS A 10 0.161 3.453 5.843 1.00 0.00 C ATOM 134 CD LYS A 10 0.969 4.426 6.704 1.00 0.00 C ATOM 135 CE LYS A 10 2.213 3.746 7.279 1.00 0.00 C ATOM 136 NZ LYS A 10 2.212 3.829 8.757 1.00 0.00 N ATOM 0 H LYS A 10 -1.337 5.587 4.536 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.614 2.889 4.120 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.519 4.577 6.596 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.720 2.839 6.703 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.444 2.428 6.083 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.397 3.610 4.791 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.265 5.287 6.105 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.347 4.801 7.517 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.241 2.702 6.967 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.110 4.221 6.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.063 3.363 9.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.207 4.827 9.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.365 3.355 9.131 1.00 0.00 H new ATOM 150 N GLY A 11 -4.347 4.149 5.443 1.00 0.00 N ATOM 151 CA GLY A 11 -5.767 3.904 5.631 1.00 0.00 C ATOM 152 C GLY A 11 -6.508 3.920 4.293 1.00 0.00 C ATOM 153 O GLY A 11 -7.397 3.102 4.061 1.00 0.00 O ATOM 0 H GLY A 11 -4.021 5.052 5.787 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.912 2.940 6.119 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.186 4.663 6.292 1.00 0.00 H new ATOM 157 N GLN A 12 -6.115 4.861 3.447 1.00 0.00 N ATOM 158 CA GLN A 12 -6.732 4.995 2.138 1.00 0.00 C ATOM 159 C GLN A 12 -6.200 3.919 1.188 1.00 0.00 C ATOM 160 O GLN A 12 -5.690 4.231 0.114 1.00 0.00 O ATOM 161 CB GLN A 12 -6.501 6.394 1.564 1.00 0.00 C ATOM 162 CG GLN A 12 -7.285 6.590 0.264 1.00 0.00 C ATOM 163 CD GLN A 12 -8.354 7.673 0.426 1.00 0.00 C ATOM 164 OE1 GLN A 12 -9.089 7.715 1.399 1.00 0.00 O ATOM 165 NE2 GLN A 12 -8.399 8.543 -0.578 1.00 0.00 N ATOM 0 H GLN A 12 -5.377 5.538 3.642 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.807 4.856 2.249 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -6.805 7.145 2.293 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.438 6.543 1.378 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.601 6.866 -0.539 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.755 5.650 -0.026 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -7.754 8.450 -1.363 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.078 9.304 -0.564 1.00 0.00 H new ATOM 174 N CYS A 13 -6.338 2.674 1.620 1.00 0.00 N ATOM 175 CA CYS A 13 -5.878 1.550 0.822 1.00 0.00 C ATOM 176 C CYS A 13 -6.610 0.293 1.295 1.00 0.00 C ATOM 177 O CYS A 13 -5.996 -0.614 1.854 1.00 0.00 O ATOM 178 CB CYS A 13 -4.358 1.387 0.897 1.00 0.00 C ATOM 179 SG CYS A 13 -3.406 2.627 -0.054 1.00 0.00 S ATOM 0 H CYS A 13 -6.762 2.419 2.512 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.107 1.729 -0.228 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.052 1.438 1.942 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.095 0.393 0.536 1.00 0.00 H new ATOM 184 N THR A 14 -7.913 0.280 1.054 1.00 0.00 N ATOM 185 CA THR A 14 -8.736 -0.851 1.449 1.00 0.00 C ATOM 186 C THR A 14 -9.248 -1.594 0.214 1.00 0.00 C ATOM 187 O THR A 14 -9.151 -2.818 0.137 1.00 0.00 O ATOM 188 CB THR A 14 -9.856 -0.328 2.351 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.216 -0.105 3.605 1.00 0.00 O ATOM 190 CG2 THR A 14 -10.909 -1.396 2.655 1.00 0.00 C ATOM 0 H THR A 14 -8.419 1.034 0.590 1.00 0.00 H new ATOM 0 HA THR A 14 -8.159 -1.583 2.014 1.00 0.00 H new ATOM 0 HB THR A 14 -10.334 0.529 1.877 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.870 0.237 4.250 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.681 -0.973 3.298 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.360 -1.738 1.723 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.437 -2.239 3.160 1.00 0.00 H new ATOM 198 N THR A 15 -9.781 -0.824 -0.723 1.00 0.00 N ATOM 199 CA THR A 15 -10.309 -1.394 -1.951 1.00 0.00 C ATOM 200 C THR A 15 -9.189 -2.060 -2.753 1.00 0.00 C ATOM 201 O THR A 15 -9.349 -3.178 -3.240 1.00 0.00 O ATOM 202 CB THR A 15 -11.028 -0.283 -2.717 1.00 0.00 C ATOM 203 OG1 THR A 15 -12.408 -0.512 -2.447 1.00 0.00 O ATOM 204 CG2 THR A 15 -10.914 -0.449 -4.234 1.00 0.00 C ATOM 0 H THR A 15 -9.859 0.191 -0.656 1.00 0.00 H new ATOM 0 HA THR A 15 -11.031 -2.184 -1.743 1.00 0.00 H new ATOM 0 HB THR A 15 -10.617 0.683 -2.425 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.948 0.166 -2.905 1.00 0.00 H new ATOM 0 HG21 THR A 15 -11.442 0.366 -4.730 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.863 -0.431 -4.524 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.356 -1.401 -4.530 1.00 0.00 H new ATOM 212 N PRO A 16 -8.050 -1.325 -2.870 1.00 0.00 N ATOM 213 CA PRO A 16 -6.904 -1.832 -3.605 1.00 0.00 C ATOM 214 C PRO A 16 -6.170 -2.907 -2.802 1.00 0.00 C ATOM 215 O PRO A 16 -5.393 -3.682 -3.359 1.00 0.00 O ATOM 216 CB PRO A 16 -6.045 -0.610 -3.886 1.00 0.00 C ATOM 217 CG PRO A 16 -6.503 0.456 -2.904 1.00 0.00 C ATOM 218 CD PRO A 16 -7.825 0.003 -2.306 1.00 0.00 C ATOM 0 HA PRO A 16 -7.186 -2.327 -4.535 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.987 -0.837 -3.751 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.170 -0.273 -4.915 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.759 0.598 -2.121 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.621 1.415 -3.409 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.776 -0.032 -1.218 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.633 0.686 -2.567 1.00 0.00 H new ATOM 226 N CYS A 17 -6.441 -2.920 -1.505 1.00 0.00 N ATOM 227 CA CYS A 17 -5.815 -3.888 -0.619 1.00 0.00 C ATOM 228 C CYS A 17 -6.915 -4.747 0.008 1.00 0.00 C ATOM 229 O CYS A 17 -6.763 -5.237 1.125 1.00 0.00 O ATOM 230 CB CYS A 17 -4.949 -3.206 0.442 1.00 0.00 C ATOM 231 SG CYS A 17 -3.651 -2.100 -0.222 1.00 0.00 S ATOM 0 H CYS A 17 -7.085 -2.276 -1.046 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.140 -4.525 -1.191 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.596 -2.628 1.102 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.475 -3.974 1.052 1.00 0.00 H new ATOM 236 N GLU A 18 -7.998 -4.903 -0.740 1.00 0.00 N ATOM 237 CA GLU A 18 -9.123 -5.694 -0.271 1.00 0.00 C ATOM 238 C GLU A 18 -8.809 -7.187 -0.393 1.00 0.00 C ATOM 239 O GLU A 18 -8.879 -7.922 0.590 1.00 0.00 O ATOM 240 CB GLU A 18 -10.400 -5.338 -1.035 1.00 0.00 C ATOM 241 CG GLU A 18 -11.447 -4.731 -0.098 1.00 0.00 C ATOM 242 CD GLU A 18 -12.852 -4.860 -0.691 1.00 0.00 C ATOM 243 OE1 GLU A 18 -13.463 -5.929 -0.474 1.00 0.00 O ATOM 244 OE2 GLU A 18 -13.283 -3.887 -1.346 1.00 0.00 O ATOM 0 H GLU A 18 -8.120 -4.495 -1.667 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.292 -5.463 0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.167 -4.632 -1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.806 -6.232 -1.510 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.409 -5.232 0.869 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.217 -3.680 0.078 1.00 0.00 H new ATOM 251 N PRO A 19 -8.462 -7.601 -1.641 1.00 0.00 N ATOM 252 CA PRO A 19 -8.137 -8.992 -1.905 1.00 0.00 C ATOM 253 C PRO A 19 -6.750 -9.344 -1.365 1.00 0.00 C ATOM 254 O PRO A 19 -6.528 -10.456 -0.889 1.00 0.00 O ATOM 255 CB PRO A 19 -8.242 -9.141 -3.414 1.00 0.00 C ATOM 256 CG PRO A 19 -8.165 -7.732 -3.979 1.00 0.00 C ATOM 257 CD PRO A 19 -8.369 -6.758 -2.830 1.00 0.00 C ATOM 0 HA PRO A 19 -8.812 -9.684 -1.401 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.435 -9.762 -3.802 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.178 -9.624 -3.694 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.199 -7.564 -4.455 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.927 -7.585 -4.744 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.539 -6.056 -2.754 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.274 -6.167 -2.968 1.00 0.00 H new ATOM 265 N LEU A 20 -5.851 -8.374 -1.456 1.00 0.00 N ATOM 266 CA LEU A 20 -4.491 -8.567 -0.982 1.00 0.00 C ATOM 267 C LEU A 20 -4.518 -8.886 0.515 1.00 0.00 C ATOM 268 O LEU A 20 -3.970 -9.899 0.947 1.00 0.00 O ATOM 269 CB LEU A 20 -3.623 -7.359 -1.338 1.00 0.00 C ATOM 270 CG LEU A 20 -2.396 -7.130 -0.453 1.00 0.00 C ATOM 271 CD1 LEU A 20 -2.763 -6.325 0.795 1.00 0.00 C ATOM 272 CD2 LEU A 20 -1.719 -8.456 -0.101 1.00 0.00 C ATOM 0 H LEU A 20 -6.038 -7.452 -1.851 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.030 -9.419 -1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.287 -7.469 -2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.246 -6.465 -1.300 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.674 -6.539 -1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.873 -6.176 1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.165 -5.356 0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.513 -6.868 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.850 -8.265 0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.423 -9.093 0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.401 -8.956 -1.016 1.00 0.00 H new ATOM 284 N THR A 21 -5.160 -8.002 1.264 1.00 0.00 N ATOM 285 CA THR A 21 -5.265 -8.176 2.703 1.00 0.00 C ATOM 286 C THR A 21 -5.955 -9.501 3.030 1.00 0.00 C ATOM 287 O THR A 21 -5.446 -10.292 3.823 1.00 0.00 O ATOM 288 CB THR A 21 -5.988 -6.956 3.275 1.00 0.00 C ATOM 289 OG1 THR A 21 -5.017 -5.915 3.213 1.00 0.00 O ATOM 290 CG2 THR A 21 -6.285 -7.099 4.769 1.00 0.00 C ATOM 0 H THR A 21 -5.613 -7.163 0.902 1.00 0.00 H new ATOM 0 HA THR A 21 -4.281 -8.235 3.168 1.00 0.00 H new ATOM 0 HB THR A 21 -6.920 -6.800 2.732 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.261 -5.282 2.505 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.799 -6.206 5.125 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.918 -7.971 4.932 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.350 -7.222 5.316 1.00 0.00 H new ATOM 298 N ALA A 22 -7.105 -9.703 2.404 1.00 0.00 N ATOM 299 CA ALA A 22 -7.871 -10.919 2.619 1.00 0.00 C ATOM 300 C ALA A 22 -6.951 -12.131 2.458 1.00 0.00 C ATOM 301 O ALA A 22 -6.966 -13.041 3.286 1.00 0.00 O ATOM 302 CB ALA A 22 -9.056 -10.954 1.652 1.00 0.00 C ATOM 0 H ALA A 22 -7.525 -9.045 1.748 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.275 -10.944 3.631 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.630 -11.866 1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.694 -10.088 1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.689 -10.933 0.626 1.00 0.00 H new ATOM 308 N CYS A 23 -6.172 -12.105 1.386 1.00 0.00 N ATOM 309 CA CYS A 23 -5.248 -13.190 1.106 1.00 0.00 C ATOM 310 C CYS A 23 -4.566 -13.591 2.416 1.00 0.00 C ATOM 311 O CYS A 23 -4.658 -14.741 2.841 1.00 0.00 O ATOM 312 CB CYS A 23 -4.232 -12.804 0.028 1.00 0.00 C ATOM 313 SG CYS A 23 -3.633 -14.197 -0.995 1.00 0.00 S ATOM 0 H CYS A 23 -6.162 -11.349 0.701 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.796 -14.044 0.707 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -4.683 -12.059 -0.627 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.376 -12.330 0.508 1.00 0.00 H new ATOM 318 N LYS A 24 -3.897 -12.619 3.019 1.00 0.00 N ATOM 319 CA LYS A 24 -3.200 -12.856 4.271 1.00 0.00 C ATOM 320 C LYS A 24 -4.195 -13.367 5.315 1.00 0.00 C ATOM 321 O LYS A 24 -3.962 -14.395 5.949 1.00 0.00 O ATOM 322 CB LYS A 24 -2.442 -11.601 4.708 1.00 0.00 C ATOM 323 CG LYS A 24 -1.124 -11.463 3.943 1.00 0.00 C ATOM 324 CD LYS A 24 -0.917 -10.026 3.461 1.00 0.00 C ATOM 325 CE LYS A 24 0.055 -9.276 4.373 1.00 0.00 C ATOM 326 NZ LYS A 24 0.347 -7.932 3.826 1.00 0.00 N ATOM 0 H LYS A 24 -3.823 -11.666 2.663 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.443 -13.630 4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.060 -10.720 4.536 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.242 -11.647 5.779 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.294 -11.758 4.585 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.123 -12.140 3.089 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.532 -10.033 2.441 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.874 -9.505 3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.372 -9.184 5.372 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.980 -9.843 4.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.008 -7.436 4.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.774 -8.026 2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.536 -7.387 3.753 1.00 0.00 H new ATOM 340 N GLU A 25 -5.284 -12.626 5.462 1.00 0.00 N ATOM 341 CA GLU A 25 -6.315 -12.991 6.417 1.00 0.00 C ATOM 342 C GLU A 25 -6.708 -14.459 6.239 1.00 0.00 C ATOM 343 O GLU A 25 -6.481 -15.278 7.128 1.00 0.00 O ATOM 344 CB GLU A 25 -7.535 -12.077 6.284 1.00 0.00 C ATOM 345 CG GLU A 25 -7.802 -11.326 7.590 1.00 0.00 C ATOM 346 CD GLU A 25 -8.859 -12.046 8.430 1.00 0.00 C ATOM 347 OE1 GLU A 25 -8.871 -13.295 8.378 1.00 0.00 O ATOM 348 OE2 GLU A 25 -9.630 -11.332 9.106 1.00 0.00 O ATOM 0 H GLU A 25 -5.474 -11.774 4.935 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.913 -12.862 7.422 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.373 -11.363 5.476 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.410 -12.669 6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.877 -11.239 8.160 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.136 -10.312 7.369 1.00 0.00 H new ATOM 355 N LYS A 26 -7.289 -14.747 5.084 1.00 0.00 N ATOM 356 CA LYS A 26 -7.716 -16.102 4.778 1.00 0.00 C ATOM 357 C LYS A 26 -6.668 -17.090 5.293 1.00 0.00 C ATOM 358 O LYS A 26 -6.992 -18.008 6.046 1.00 0.00 O ATOM 359 CB LYS A 26 -8.014 -16.245 3.284 1.00 0.00 C ATOM 360 CG LYS A 26 -9.185 -17.201 3.048 1.00 0.00 C ATOM 361 CD LYS A 26 -10.229 -16.571 2.124 1.00 0.00 C ATOM 362 CE LYS A 26 -10.974 -17.644 1.327 1.00 0.00 C ATOM 363 NZ LYS A 26 -11.771 -17.025 0.244 1.00 0.00 N ATOM 0 H LYS A 26 -7.474 -14.065 4.348 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.651 -16.332 5.289 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.247 -15.268 2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.129 -16.614 2.766 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.819 -18.129 2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.646 -17.459 4.001 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.940 -15.992 2.714 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.742 -15.877 1.439 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.261 -18.351 0.903 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.628 -18.210 1.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.270 -17.767 -0.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.464 -16.368 0.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.139 -16.505 -0.398 1.00 0.00 H new ATOM 377 N CYS A 27 -5.433 -16.869 4.868 1.00 0.00 N ATOM 378 CA CYS A 27 -4.335 -17.729 5.277 1.00 0.00 C ATOM 379 C CYS A 27 -4.270 -17.731 6.806 1.00 0.00 C ATOM 380 O CYS A 27 -4.281 -18.791 7.430 1.00 0.00 O ATOM 381 CB CYS A 27 -3.010 -17.292 4.650 1.00 0.00 C ATOM 382 SG CYS A 27 -2.862 -17.625 2.857 1.00 0.00 S ATOM 0 H CYS A 27 -5.168 -16.107 4.244 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.512 -18.744 4.921 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.880 -16.223 4.819 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.195 -17.798 5.168 1.00 0.00 H new ATOM 387 N ALA A 28 -4.205 -16.532 7.365 1.00 0.00 N ATOM 388 CA ALA A 28 -4.139 -16.381 8.809 1.00 0.00 C ATOM 389 C ALA A 28 -5.077 -17.396 9.466 1.00 0.00 C ATOM 390 O ALA A 28 -4.648 -18.196 10.296 1.00 0.00 O ATOM 391 CB ALA A 28 -4.481 -14.939 9.188 1.00 0.00 C ATOM 0 H ALA A 28 -4.197 -15.655 6.844 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.131 -16.582 9.171 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.431 -14.826 10.271 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.768 -14.261 8.719 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.488 -14.701 8.844 1.00 0.00 H new ATOM 397 N GLU A 29 -6.339 -17.330 9.070 1.00 0.00 N ATOM 398 CA GLU A 29 -7.341 -18.233 9.611 1.00 0.00 C ATOM 399 C GLU A 29 -6.929 -19.687 9.373 1.00 0.00 C ATOM 400 O GLU A 29 -6.925 -20.495 10.300 1.00 0.00 O ATOM 401 CB GLU A 29 -8.718 -17.947 9.009 1.00 0.00 C ATOM 402 CG GLU A 29 -9.382 -16.753 9.698 1.00 0.00 C ATOM 403 CD GLU A 29 -10.009 -17.168 11.030 1.00 0.00 C ATOM 404 OE1 GLU A 29 -10.932 -18.009 10.985 1.00 0.00 O ATOM 405 OE2 GLU A 29 -9.550 -16.635 12.064 1.00 0.00 O ATOM 0 H GLU A 29 -6.691 -16.665 8.381 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.409 -18.067 10.686 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.618 -17.746 7.942 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.352 -18.828 9.109 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.643 -15.970 9.868 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.148 -16.333 9.047 1.00 0.00 H new ATOM 412 N SER A 30 -6.593 -19.976 8.124 1.00 0.00 N ATOM 413 CA SER A 30 -6.180 -21.319 7.752 1.00 0.00 C ATOM 414 C SER A 30 -5.022 -21.775 8.642 1.00 0.00 C ATOM 415 O SER A 30 -4.837 -22.971 8.861 1.00 0.00 O ATOM 416 CB SER A 30 -5.775 -21.382 6.279 1.00 0.00 C ATOM 417 OG SER A 30 -6.043 -20.159 5.598 1.00 0.00 O ATOM 0 H SER A 30 -6.598 -19.303 7.357 1.00 0.00 H new ATOM 0 HA SER A 30 -7.027 -21.990 7.896 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.712 -21.613 6.205 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.312 -22.194 5.790 1.00 0.00 H new ATOM 0 HG SER A 30 -6.901 -19.796 5.902 1.00 0.00 H new ATOM 423 N CYS A 31 -4.271 -20.798 9.129 1.00 0.00 N ATOM 424 CA CYS A 31 -3.136 -21.085 9.990 1.00 0.00 C ATOM 425 C CYS A 31 -3.496 -20.665 11.416 1.00 0.00 C ATOM 426 O CYS A 31 -2.803 -19.847 12.020 1.00 0.00 O ATOM 427 CB CYS A 31 -1.863 -20.395 9.495 1.00 0.00 C ATOM 428 SG CYS A 31 -0.864 -21.378 8.319 1.00 0.00 S ATOM 0 H CYS A 31 -4.426 -19.807 8.944 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.922 -22.154 9.971 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.139 -19.454 9.018 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.243 -20.146 10.356 1.00 0.00 H new ATOM 433 N GLU A 32 -4.580 -21.243 11.914 1.00 0.00 N ATOM 434 CA GLU A 32 -5.040 -20.938 13.258 1.00 0.00 C ATOM 435 C GLU A 32 -4.132 -21.605 14.293 1.00 0.00 C ATOM 436 O GLU A 32 -3.664 -20.953 15.225 1.00 0.00 O ATOM 437 CB GLU A 32 -6.496 -21.366 13.448 1.00 0.00 C ATOM 438 CG GLU A 32 -7.409 -20.149 13.607 1.00 0.00 C ATOM 439 CD GLU A 32 -8.691 -20.519 14.358 1.00 0.00 C ATOM 440 OE1 GLU A 32 -9.610 -21.039 13.689 1.00 0.00 O ATOM 441 OE2 GLU A 32 -8.722 -20.273 15.583 1.00 0.00 O ATOM 0 H GLU A 32 -5.153 -21.921 11.411 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.991 -19.859 13.403 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.819 -21.958 12.592 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.579 -22.005 14.327 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.882 -19.362 14.146 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.661 -19.748 12.625 1.00 0.00 H new ATOM 448 N THR A 33 -3.911 -22.896 14.095 1.00 0.00 N ATOM 449 CA THR A 33 -3.068 -23.658 15.001 1.00 0.00 C ATOM 450 C THR A 33 -1.942 -24.347 14.228 1.00 0.00 C ATOM 451 O THR A 33 -1.805 -25.569 14.279 1.00 0.00 O ATOM 452 CB THR A 33 -3.961 -24.633 15.771 1.00 0.00 C ATOM 453 OG1 THR A 33 -4.303 -25.626 14.808 1.00 0.00 O ATOM 454 CG2 THR A 33 -5.305 -24.014 16.160 1.00 0.00 C ATOM 0 H THR A 33 -4.301 -23.434 13.321 1.00 0.00 H new ATOM 0 HA THR A 33 -2.574 -23.008 15.723 1.00 0.00 H new ATOM 0 HB THR A 33 -3.442 -24.968 16.669 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.506 -26.147 14.578 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.900 -24.748 16.704 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.135 -23.143 16.793 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.839 -23.709 15.260 1.00 0.00 H new ATOM 462 N SER A 34 -1.164 -23.534 13.528 1.00 0.00 N ATOM 463 CA SER A 34 -0.054 -24.050 12.746 1.00 0.00 C ATOM 464 C SER A 34 1.259 -23.858 13.509 1.00 0.00 C ATOM 465 O SER A 34 1.363 -22.976 14.359 1.00 0.00 O ATOM 466 CB SER A 34 0.022 -23.365 11.379 1.00 0.00 C ATOM 467 OG SER A 34 -0.247 -24.271 10.313 1.00 0.00 O ATOM 0 H SER A 34 -1.281 -22.522 13.486 1.00 0.00 H new ATOM 0 HA SER A 34 -0.218 -25.115 12.581 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.693 -22.543 11.345 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.013 -22.932 11.245 1.00 0.00 H new ATOM 0 HG SER A 34 -0.482 -23.767 9.506 1.00 0.00 H new ATOM 473 N ALA A 35 2.227 -24.699 13.177 1.00 0.00 N ATOM 474 CA ALA A 35 3.528 -24.633 13.820 1.00 0.00 C ATOM 475 C ALA A 35 4.124 -23.239 13.616 1.00 0.00 C ATOM 476 O ALA A 35 4.292 -22.486 14.574 1.00 0.00 O ATOM 477 CB ALA A 35 4.429 -25.739 13.266 1.00 0.00 C ATOM 0 H ALA A 35 2.136 -25.430 12.471 1.00 0.00 H new ATOM 0 HA ALA A 35 3.433 -24.797 14.893 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.405 -25.689 13.749 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.976 -26.710 13.463 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.549 -25.606 12.191 1.00 0.00 H new ATOM 483 N ASP A 36 4.425 -22.937 12.362 1.00 0.00 N ATOM 484 CA ASP A 36 4.998 -21.646 12.020 1.00 0.00 C ATOM 485 C ASP A 36 3.899 -20.735 11.469 1.00 0.00 C ATOM 486 O ASP A 36 3.648 -20.718 10.265 1.00 0.00 O ATOM 487 CB ASP A 36 6.076 -21.790 10.943 1.00 0.00 C ATOM 488 CG ASP A 36 6.954 -23.037 11.070 1.00 0.00 C ATOM 489 OD1 ASP A 36 7.894 -22.988 11.893 1.00 0.00 O ATOM 490 OD2 ASP A 36 6.666 -24.010 10.341 1.00 0.00 O ATOM 0 H ASP A 36 4.283 -23.564 11.570 1.00 0.00 H new ATOM 0 HA ASP A 36 5.442 -21.225 12.922 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.593 -21.802 9.966 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.717 -20.909 10.971 1.00 0.00 H new ATOM 495 N LYS A 37 3.274 -20.001 12.377 1.00 0.00 N ATOM 496 CA LYS A 37 2.208 -19.089 11.998 1.00 0.00 C ATOM 497 C LYS A 37 2.816 -17.823 11.392 1.00 0.00 C ATOM 498 O LYS A 37 2.522 -17.474 10.250 1.00 0.00 O ATOM 499 CB LYS A 37 1.285 -18.819 13.188 1.00 0.00 C ATOM 500 CG LYS A 37 0.234 -19.923 13.328 1.00 0.00 C ATOM 501 CD LYS A 37 -0.367 -19.932 14.735 1.00 0.00 C ATOM 502 CE LYS A 37 -1.347 -18.771 14.920 1.00 0.00 C ATOM 503 NZ LYS A 37 -1.664 -18.583 16.354 1.00 0.00 N ATOM 0 H LYS A 37 3.485 -20.019 13.375 1.00 0.00 H new ATOM 0 HA LYS A 37 1.578 -19.539 11.231 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.874 -18.755 14.103 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.791 -17.856 13.059 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.556 -19.773 12.592 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.688 -20.891 13.116 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.881 -20.877 14.909 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.430 -19.861 15.475 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.916 -17.856 14.514 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.262 -18.968 14.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.330 -17.791 16.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.095 -19.451 16.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.790 -18.374 16.878 1.00 0.00 H new ATOM 517 N LYS A 38 3.654 -17.170 12.184 1.00 0.00 N ATOM 518 CA LYS A 38 4.306 -15.950 11.740 1.00 0.00 C ATOM 519 C LYS A 38 4.849 -16.153 10.324 1.00 0.00 C ATOM 520 O LYS A 38 4.769 -15.253 9.490 1.00 0.00 O ATOM 521 CB LYS A 38 5.370 -15.514 12.750 1.00 0.00 C ATOM 522 CG LYS A 38 5.616 -14.006 12.670 1.00 0.00 C ATOM 523 CD LYS A 38 5.492 -13.357 14.050 1.00 0.00 C ATOM 524 CE LYS A 38 6.682 -12.438 14.333 1.00 0.00 C ATOM 525 NZ LYS A 38 6.302 -11.378 15.293 1.00 0.00 N ATOM 0 H LYS A 38 3.896 -17.463 13.130 1.00 0.00 H new ATOM 0 HA LYS A 38 3.589 -15.130 11.692 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.051 -15.781 13.758 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.300 -16.049 12.557 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.609 -13.817 12.263 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.899 -13.553 11.985 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.566 -12.785 14.105 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.435 -14.131 14.816 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.511 -13.020 14.735 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.030 -11.987 13.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.121 -10.763 15.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.525 -10.812 14.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.992 -11.813 16.185 1.00 0.00 H new ATOM 539 N THR A 39 5.387 -17.342 10.096 1.00 0.00 N ATOM 540 CA THR A 39 5.942 -17.675 8.795 1.00 0.00 C ATOM 541 C THR A 39 4.821 -17.909 7.781 1.00 0.00 C ATOM 542 O THR A 39 4.749 -17.225 6.761 1.00 0.00 O ATOM 543 CB THR A 39 6.865 -18.882 8.970 1.00 0.00 C ATOM 544 OG1 THR A 39 7.838 -18.442 9.914 1.00 0.00 O ATOM 545 CG2 THR A 39 7.679 -19.185 7.710 1.00 0.00 C ATOM 0 H THR A 39 5.450 -18.087 10.790 1.00 0.00 H new ATOM 0 HA THR A 39 6.533 -16.851 8.394 1.00 0.00 H new ATOM 0 HB THR A 39 6.271 -19.756 9.238 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.476 -19.165 10.087 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.317 -20.050 7.888 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.003 -19.398 6.882 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.298 -18.323 7.461 1.00 0.00 H new ATOM 553 N CYS A 40 3.975 -18.878 8.096 1.00 0.00 N ATOM 554 CA CYS A 40 2.860 -19.211 7.225 1.00 0.00 C ATOM 555 C CYS A 40 2.240 -17.907 6.719 1.00 0.00 C ATOM 556 O CYS A 40 2.210 -17.655 5.516 1.00 0.00 O ATOM 557 CB CYS A 40 1.832 -20.095 7.934 1.00 0.00 C ATOM 558 SG CYS A 40 0.161 -20.078 7.188 1.00 0.00 S ATOM 0 H CYS A 40 4.039 -19.444 8.942 1.00 0.00 H new ATOM 0 HA CYS A 40 3.219 -19.794 6.377 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.200 -21.121 7.943 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.754 -19.775 8.973 1.00 0.00 H new ATOM 563 N ARG A 41 1.759 -17.112 7.664 1.00 0.00 N ATOM 564 CA ARG A 41 1.141 -15.841 7.329 1.00 0.00 C ATOM 565 C ARG A 41 1.953 -15.123 6.249 1.00 0.00 C ATOM 566 O ARG A 41 1.387 -14.544 5.324 1.00 0.00 O ATOM 567 CB ARG A 41 1.034 -14.939 8.561 1.00 0.00 C ATOM 568 CG ARG A 41 -0.068 -15.427 9.504 1.00 0.00 C ATOM 569 CD ARG A 41 -0.283 -14.439 10.653 1.00 0.00 C ATOM 570 NE ARG A 41 0.468 -14.882 11.848 1.00 0.00 N ATOM 571 CZ ARG A 41 0.352 -14.319 13.059 1.00 0.00 C ATOM 572 NH1 ARG A 41 -0.484 -13.289 13.242 1.00 0.00 N ATOM 573 NH2 ARG A 41 1.073 -14.787 14.087 1.00 0.00 N ATOM 0 H ARG A 41 1.785 -17.324 8.661 1.00 0.00 H new ATOM 0 HA ARG A 41 0.138 -16.049 6.956 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.988 -14.923 9.088 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.824 -13.916 8.250 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.998 -15.553 8.949 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.198 -16.405 9.905 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.047 -13.444 10.354 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.345 -14.366 10.887 1.00 0.00 H new ATOM 0 HE ARG A 41 1.114 -15.664 11.744 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.033 -12.932 12.460 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.572 -12.861 14.164 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.710 -15.571 13.948 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.985 -14.359 15.009 1.00 0.00 H new ATOM 587 N ARG A 42 3.268 -15.185 6.404 1.00 0.00 N ATOM 588 CA ARG A 42 4.163 -14.549 5.453 1.00 0.00 C ATOM 589 C ARG A 42 4.190 -15.335 4.141 1.00 0.00 C ATOM 590 O ARG A 42 3.990 -14.767 3.069 1.00 0.00 O ATOM 591 CB ARG A 42 5.584 -14.456 6.013 1.00 0.00 C ATOM 592 CG ARG A 42 5.855 -13.066 6.592 1.00 0.00 C ATOM 593 CD ARG A 42 5.656 -13.055 8.109 1.00 0.00 C ATOM 594 NE ARG A 42 5.960 -11.711 8.650 1.00 0.00 N ATOM 595 CZ ARG A 42 5.094 -10.689 8.653 1.00 0.00 C ATOM 596 NH1 ARG A 42 3.865 -10.851 8.144 1.00 0.00 N ATOM 597 NH2 ARG A 42 5.456 -9.505 9.165 1.00 0.00 N ATOM 0 H ARG A 42 3.734 -15.666 7.173 1.00 0.00 H new ATOM 0 HA ARG A 42 3.790 -13.542 5.269 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.724 -15.210 6.788 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.305 -14.672 5.224 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.874 -12.761 6.353 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.188 -12.339 6.129 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.629 -13.330 8.351 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.303 -13.798 8.574 1.00 0.00 H new ATOM 0 HE ARG A 42 6.887 -11.553 9.045 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.589 -11.752 7.754 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.205 -10.073 8.146 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.391 -9.382 9.553 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.796 -8.727 9.167 1.00 0.00 H new ATOM 611 N ASN A 43 4.439 -16.630 4.269 1.00 0.00 N ATOM 612 CA ASN A 43 4.495 -17.500 3.106 1.00 0.00 C ATOM 613 C ASN A 43 3.272 -17.243 2.224 1.00 0.00 C ATOM 614 O ASN A 43 3.377 -17.236 0.998 1.00 0.00 O ATOM 615 CB ASN A 43 4.479 -18.973 3.519 1.00 0.00 C ATOM 616 CG ASN A 43 5.900 -19.535 3.601 1.00 0.00 C ATOM 617 OD1 ASN A 43 6.855 -18.950 3.117 1.00 0.00 O ATOM 618 ND2 ASN A 43 5.985 -20.699 4.238 1.00 0.00 N ATOM 0 H ASN A 43 4.604 -17.098 5.160 1.00 0.00 H new ATOM 0 HA ASN A 43 5.419 -17.286 2.569 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.986 -19.078 4.486 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.897 -19.550 2.800 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.890 -21.157 4.345 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.145 -21.134 4.619 1.00 0.00 H new ATOM 625 N CYS A 44 2.140 -17.039 2.881 1.00 0.00 N ATOM 626 CA CYS A 44 0.898 -16.782 2.172 1.00 0.00 C ATOM 627 C CYS A 44 1.186 -15.792 1.042 1.00 0.00 C ATOM 628 O CYS A 44 0.671 -15.941 -0.065 1.00 0.00 O ATOM 629 CB CYS A 44 -0.196 -16.273 3.112 1.00 0.00 C ATOM 630 SG CYS A 44 -1.795 -15.904 2.301 1.00 0.00 S ATOM 0 H CYS A 44 2.057 -17.046 3.898 1.00 0.00 H new ATOM 0 HA CYS A 44 0.518 -17.713 1.750 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -0.363 -17.018 3.890 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.161 -15.370 3.607 1.00 0.00 H new ATOM 635 N LYS A 45 2.008 -14.803 1.360 1.00 0.00 N ATOM 636 CA LYS A 45 2.370 -13.788 0.386 1.00 0.00 C ATOM 637 C LYS A 45 2.850 -14.468 -0.898 1.00 0.00 C ATOM 638 O LYS A 45 2.438 -14.094 -1.995 1.00 0.00 O ATOM 639 CB LYS A 45 3.387 -12.812 0.981 1.00 0.00 C ATOM 640 CG LYS A 45 3.248 -11.424 0.353 1.00 0.00 C ATOM 641 CD LYS A 45 3.870 -10.351 1.249 1.00 0.00 C ATOM 642 CE LYS A 45 4.921 -9.542 0.487 1.00 0.00 C ATOM 643 NZ LYS A 45 6.138 -10.354 0.263 1.00 0.00 N ATOM 0 H LYS A 45 2.434 -14.683 2.279 1.00 0.00 H new ATOM 0 HA LYS A 45 1.500 -13.186 0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.242 -12.743 2.059 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.397 -13.189 0.818 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.732 -11.413 -0.623 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.194 -11.199 0.189 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.091 -9.685 1.619 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.328 -10.820 2.120 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.514 -9.215 -0.470 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.175 -8.643 1.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.841 -9.790 -0.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.535 -10.645 1.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.894 -11.199 -0.292 1.00 0.00 H new ATOM 657 N LYS A 46 3.716 -15.455 -0.719 1.00 0.00 N ATOM 658 CA LYS A 46 4.256 -16.191 -1.849 1.00 0.00 C ATOM 659 C LYS A 46 3.264 -17.279 -2.266 1.00 0.00 C ATOM 660 O LYS A 46 3.197 -17.647 -3.437 1.00 0.00 O ATOM 661 CB LYS A 46 5.652 -16.726 -1.522 1.00 0.00 C ATOM 662 CG LYS A 46 6.689 -15.601 -1.545 1.00 0.00 C ATOM 663 CD LYS A 46 7.351 -15.494 -2.921 1.00 0.00 C ATOM 664 CE LYS A 46 7.602 -14.032 -3.296 1.00 0.00 C ATOM 665 NZ LYS A 46 8.637 -13.938 -4.349 1.00 0.00 N ATOM 0 H LYS A 46 4.057 -15.762 0.192 1.00 0.00 H new ATOM 0 HA LYS A 46 4.385 -15.530 -2.706 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.644 -17.198 -0.539 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.929 -17.495 -2.243 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.210 -14.655 -1.293 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.448 -15.786 -0.785 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.295 -16.040 -2.918 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.715 -15.962 -3.672 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.676 -13.576 -3.646 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.919 -13.474 -2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.321 -13.279 -5.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.525 -13.592 -3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.794 -14.877 -4.767 1.00 0.00 H new ATOM 679 N ALA A 47 2.517 -17.761 -1.284 1.00 0.00 N ATOM 680 CA ALA A 47 1.531 -18.799 -1.534 1.00 0.00 C ATOM 681 C ALA A 47 0.728 -18.442 -2.787 1.00 0.00 C ATOM 682 O ALA A 47 0.702 -19.207 -3.750 1.00 0.00 O ATOM 683 CB ALA A 47 0.641 -18.966 -0.301 1.00 0.00 C ATOM 0 H ALA A 47 2.574 -17.452 -0.314 1.00 0.00 H new ATOM 0 HA ALA A 47 2.020 -19.756 -1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.098 -19.745 -0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.254 -19.247 0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.132 -18.026 -0.090 1.00 0.00 H new ATOM 689 N ASP A 48 0.094 -17.280 -2.734 1.00 0.00 N ATOM 690 CA ASP A 48 -0.707 -16.813 -3.853 1.00 0.00 C ATOM 691 C ASP A 48 -1.182 -15.386 -3.574 1.00 0.00 C ATOM 692 O ASP A 48 -2.384 -15.122 -3.548 1.00 0.00 O ATOM 693 CB ASP A 48 -1.942 -17.693 -4.051 1.00 0.00 C ATOM 694 CG ASP A 48 -2.410 -17.834 -5.501 1.00 0.00 C ATOM 695 OD1 ASP A 48 -1.560 -17.631 -6.394 1.00 0.00 O ATOM 696 OD2 ASP A 48 -3.608 -18.140 -5.684 1.00 0.00 O ATOM 0 H ASP A 48 0.119 -16.648 -1.934 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.089 -16.852 -4.750 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.729 -18.686 -3.656 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.760 -17.283 -3.459 1.00 0.00 H new ATOM 701 N CYS A 49 -0.216 -14.503 -3.371 1.00 0.00 N ATOM 702 CA CYS A 49 -0.521 -13.110 -3.095 1.00 0.00 C ATOM 703 C CYS A 49 0.678 -12.261 -3.524 1.00 0.00 C ATOM 704 O CYS A 49 1.021 -11.285 -2.859 1.00 0.00 O ATOM 705 CB CYS A 49 -0.878 -12.890 -1.623 1.00 0.00 C ATOM 706 SG CYS A 49 -1.658 -14.327 -0.800 1.00 0.00 S ATOM 0 H CYS A 49 0.779 -14.725 -3.392 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.401 -12.808 -3.664 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.029 -12.626 -1.079 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.553 -12.037 -1.551 1.00 0.00 H new ATOM 711 N GLU A 50 1.282 -12.665 -4.632 1.00 0.00 N ATOM 712 CA GLU A 50 2.435 -11.954 -5.157 1.00 0.00 C ATOM 713 C GLU A 50 1.990 -10.681 -5.881 1.00 0.00 C ATOM 714 O GLU A 50 2.544 -9.607 -5.654 1.00 0.00 O ATOM 715 CB GLU A 50 3.258 -12.852 -6.083 1.00 0.00 C ATOM 716 CG GLU A 50 4.484 -13.410 -5.358 1.00 0.00 C ATOM 717 CD GLU A 50 5.776 -12.846 -5.954 1.00 0.00 C ATOM 718 OE1 GLU A 50 6.112 -13.267 -7.082 1.00 0.00 O ATOM 719 OE2 GLU A 50 6.399 -12.008 -5.267 1.00 0.00 O ATOM 0 H GLU A 50 0.994 -13.476 -5.180 1.00 0.00 H new ATOM 0 HA GLU A 50 3.073 -11.669 -4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.639 -13.674 -6.443 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.575 -12.285 -6.958 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.429 -13.161 -4.298 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.490 -14.498 -5.430 1.00 0.00 H new ATOM 726 N PRO A 51 0.966 -10.849 -6.760 1.00 0.00 N ATOM 727 CA PRO A 51 0.439 -9.727 -7.519 1.00 0.00 C ATOM 728 C PRO A 51 -0.422 -8.823 -6.634 1.00 0.00 C ATOM 729 O PRO A 51 -0.365 -7.600 -6.748 1.00 0.00 O ATOM 730 CB PRO A 51 -0.340 -10.356 -8.662 1.00 0.00 C ATOM 731 CG PRO A 51 -0.610 -11.791 -8.243 1.00 0.00 C ATOM 732 CD PRO A 51 0.284 -12.106 -7.055 1.00 0.00 C ATOM 0 HA PRO A 51 1.222 -9.073 -7.902 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.272 -9.820 -8.841 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.231 -10.321 -9.590 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.659 -11.920 -7.976 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.405 -12.474 -9.067 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.299 -12.450 -6.201 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.996 -12.896 -7.294 1.00 0.00 H new ATOM 740 N GLN A 52 -1.201 -9.461 -5.772 1.00 0.00 N ATOM 741 CA GLN A 52 -2.073 -8.730 -4.869 1.00 0.00 C ATOM 742 C GLN A 52 -1.252 -7.798 -3.976 1.00 0.00 C ATOM 743 O GLN A 52 -1.540 -6.605 -3.886 1.00 0.00 O ATOM 744 CB GLN A 52 -2.919 -9.688 -4.029 1.00 0.00 C ATOM 745 CG GLN A 52 -3.677 -10.675 -4.919 1.00 0.00 C ATOM 746 CD GLN A 52 -4.635 -11.536 -4.093 1.00 0.00 C ATOM 747 OE1 GLN A 52 -4.944 -11.243 -2.949 1.00 0.00 O ATOM 748 NE2 GLN A 52 -5.085 -12.611 -4.733 1.00 0.00 N ATOM 0 H GLN A 52 -1.246 -10.476 -5.680 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.754 -8.123 -5.466 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.277 -10.235 -3.338 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.627 -9.120 -3.425 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.236 -10.129 -5.679 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.968 -11.315 -5.444 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.786 -12.797 -5.690 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.729 -13.250 -4.267 1.00 0.00 H new ATOM 757 N ASP A 53 -0.245 -8.376 -3.339 1.00 0.00 N ATOM 758 CA ASP A 53 0.621 -7.612 -2.456 1.00 0.00 C ATOM 759 C ASP A 53 1.202 -6.423 -3.223 1.00 0.00 C ATOM 760 O ASP A 53 1.329 -5.329 -2.676 1.00 0.00 O ATOM 761 CB ASP A 53 1.786 -8.466 -1.953 1.00 0.00 C ATOM 762 CG ASP A 53 2.511 -7.912 -0.725 1.00 0.00 C ATOM 763 OD1 ASP A 53 2.004 -8.157 0.392 1.00 0.00 O ATOM 764 OD2 ASP A 53 3.555 -7.255 -0.929 1.00 0.00 O ATOM 0 H ASP A 53 -0.009 -9.365 -3.416 1.00 0.00 H new ATOM 0 HA ASP A 53 0.026 -7.278 -1.606 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.411 -9.462 -1.716 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.508 -8.581 -2.761 1.00 0.00 H new ATOM 769 N LYS A 54 1.540 -6.678 -4.479 1.00 0.00 N ATOM 770 CA LYS A 54 2.104 -5.642 -5.327 1.00 0.00 C ATOM 771 C LYS A 54 1.073 -4.528 -5.520 1.00 0.00 C ATOM 772 O LYS A 54 1.301 -3.389 -5.115 1.00 0.00 O ATOM 773 CB LYS A 54 2.614 -6.242 -6.639 1.00 0.00 C ATOM 774 CG LYS A 54 3.958 -6.944 -6.434 1.00 0.00 C ATOM 775 CD LYS A 54 4.514 -7.462 -7.763 1.00 0.00 C ATOM 776 CE LYS A 54 5.390 -8.698 -7.546 1.00 0.00 C ATOM 777 NZ LYS A 54 6.644 -8.587 -8.325 1.00 0.00 N ATOM 0 H LYS A 54 1.434 -7.587 -4.929 1.00 0.00 H new ATOM 0 HA LYS A 54 2.974 -5.192 -4.850 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.884 -6.952 -7.026 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.721 -5.455 -7.386 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.669 -6.252 -5.983 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.836 -7.774 -5.738 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.691 -7.708 -8.434 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.097 -6.679 -8.247 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.621 -8.806 -6.486 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.846 -9.594 -7.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.227 -9.434 -8.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.418 -8.506 -9.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.169 -7.743 -8.019 1.00 0.00 H new ATOM 791 N VAL A 55 -0.039 -4.896 -6.139 1.00 0.00 N ATOM 792 CA VAL A 55 -1.106 -3.943 -6.391 1.00 0.00 C ATOM 793 C VAL A 55 -1.295 -3.058 -5.157 1.00 0.00 C ATOM 794 O VAL A 55 -1.314 -1.833 -5.264 1.00 0.00 O ATOM 795 CB VAL A 55 -2.382 -4.681 -6.799 1.00 0.00 C ATOM 796 CG1 VAL A 55 -3.600 -3.758 -6.717 1.00 0.00 C ATOM 797 CG2 VAL A 55 -2.244 -5.284 -8.198 1.00 0.00 C ATOM 0 H VAL A 55 -0.224 -5.842 -6.474 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.845 -3.289 -7.223 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.534 -5.500 -6.096 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.494 -4.308 -7.012 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.716 -3.399 -5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.459 -2.909 -7.386 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.165 -5.803 -8.463 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.055 -4.489 -8.920 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.414 -5.990 -8.210 1.00 0.00 H new ATOM 807 N CYS A 56 -1.431 -3.714 -4.014 1.00 0.00 N ATOM 808 CA CYS A 56 -1.618 -3.002 -2.761 1.00 0.00 C ATOM 809 C CYS A 56 -0.566 -1.894 -2.676 1.00 0.00 C ATOM 810 O CYS A 56 -0.903 -0.711 -2.693 1.00 0.00 O ATOM 811 CB CYS A 56 -1.551 -3.946 -1.559 1.00 0.00 C ATOM 812 SG CYS A 56 -1.928 -3.164 0.053 1.00 0.00 S ATOM 0 H CYS A 56 -1.415 -4.730 -3.929 1.00 0.00 H new ATOM 0 HA CYS A 56 -2.613 -2.559 -2.737 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.249 -4.767 -1.721 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.553 -4.381 -1.511 1.00 0.00 H new ATOM 817 N ASP A 57 0.686 -2.317 -2.586 1.00 0.00 N ATOM 818 CA ASP A 57 1.789 -1.375 -2.498 1.00 0.00 C ATOM 819 C ASP A 57 1.555 -0.228 -3.483 1.00 0.00 C ATOM 820 O ASP A 57 1.763 0.937 -3.146 1.00 0.00 O ATOM 821 CB ASP A 57 3.116 -2.045 -2.861 1.00 0.00 C ATOM 822 CG ASP A 57 4.366 -1.236 -2.512 1.00 0.00 C ATOM 823 OD1 ASP A 57 4.195 -0.174 -1.876 1.00 0.00 O ATOM 824 OD2 ASP A 57 5.465 -1.697 -2.890 1.00 0.00 O ATOM 0 H ASP A 57 0.961 -3.299 -2.572 1.00 0.00 H new ATOM 0 HA ASP A 57 1.838 -1.009 -1.473 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.171 -3.007 -2.352 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.121 -2.250 -3.932 1.00 0.00 H new ATOM 829 N ALA A 58 1.124 -0.597 -4.681 1.00 0.00 N ATOM 830 CA ALA A 58 0.859 0.386 -5.717 1.00 0.00 C ATOM 831 C ALA A 58 0.015 1.521 -5.133 1.00 0.00 C ATOM 832 O ALA A 58 0.293 2.694 -5.376 1.00 0.00 O ATOM 833 CB ALA A 58 0.177 -0.295 -6.905 1.00 0.00 C ATOM 0 H ALA A 58 0.952 -1.564 -4.957 1.00 0.00 H new ATOM 0 HA ALA A 58 1.790 0.820 -6.081 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.022 0.443 -7.682 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.829 -1.073 -7.302 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.763 -0.740 -6.579 1.00 0.00 H new ATOM 839 N CYS A 59 -0.998 1.132 -4.373 1.00 0.00 N ATOM 840 CA CYS A 59 -1.884 2.102 -3.752 1.00 0.00 C ATOM 841 C CYS A 59 -1.031 3.094 -2.960 1.00 0.00 C ATOM 842 O CYS A 59 -1.041 4.291 -3.242 1.00 0.00 O ATOM 843 CB CYS A 59 -2.937 1.424 -2.872 1.00 0.00 C ATOM 844 SG CYS A 59 -4.024 2.574 -1.953 1.00 0.00 S ATOM 0 H CYS A 59 -1.225 0.158 -4.173 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.439 2.637 -4.523 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.557 0.783 -3.499 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.430 0.776 -2.157 1.00 0.00 H new ATOM 849 N ARG A 60 -0.312 2.559 -1.983 1.00 0.00 N ATOM 850 CA ARG A 60 0.546 3.383 -1.148 1.00 0.00 C ATOM 851 C ARG A 60 1.489 4.217 -2.016 1.00 0.00 C ATOM 852 O ARG A 60 1.852 5.333 -1.649 1.00 0.00 O ATOM 853 CB ARG A 60 1.372 2.522 -0.190 1.00 0.00 C ATOM 854 CG ARG A 60 0.474 1.821 0.831 1.00 0.00 C ATOM 855 CD ARG A 60 1.308 1.133 1.914 1.00 0.00 C ATOM 856 NE ARG A 60 2.105 2.137 2.653 1.00 0.00 N ATOM 857 CZ ARG A 60 3.330 2.540 2.290 1.00 0.00 C ATOM 858 NH1 ARG A 60 3.907 2.026 1.195 1.00 0.00 N ATOM 859 NH2 ARG A 60 3.979 3.456 3.022 1.00 0.00 N ATOM 0 H ARG A 60 -0.306 1.566 -1.751 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.095 4.044 -0.564 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.934 1.779 -0.756 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.100 3.145 0.329 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.197 2.547 1.290 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.151 1.085 0.326 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.654 0.597 2.602 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.969 0.394 1.461 1.00 0.00 H new ATOM 0 HE ARG A 60 1.696 2.548 3.492 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.413 1.328 0.638 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.840 2.333 0.918 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.540 3.847 3.856 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.912 3.763 2.745 1.00 0.00 H new ATOM 873 N MET A 61 1.860 3.643 -3.152 1.00 0.00 N ATOM 874 CA MET A 61 2.754 4.320 -4.075 1.00 0.00 C ATOM 875 C MET A 61 2.034 5.458 -4.802 1.00 0.00 C ATOM 876 O MET A 61 2.478 6.604 -4.761 1.00 0.00 O ATOM 877 CB MET A 61 3.286 3.316 -5.100 1.00 0.00 C ATOM 878 CG MET A 61 3.836 4.032 -6.335 1.00 0.00 C ATOM 879 SD MET A 61 5.380 3.289 -6.835 1.00 0.00 S ATOM 880 CE MET A 61 4.800 1.676 -7.334 1.00 0.00 C ATOM 0 H MET A 61 1.557 2.717 -3.453 1.00 0.00 H new ATOM 0 HA MET A 61 3.581 4.744 -3.505 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.071 2.710 -4.647 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.488 2.635 -5.395 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.115 3.975 -7.150 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.986 5.089 -6.116 1.00 0.00 H new ATOM 0 HE1 MET A 61 5.598 1.148 -7.855 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.504 1.107 -6.453 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.944 1.787 -7.999 1.00 0.00 H new ATOM 890 N LYS A 62 0.934 5.102 -5.448 1.00 0.00 N ATOM 891 CA LYS A 62 0.148 6.079 -6.183 1.00 0.00 C ATOM 892 C LYS A 62 -0.377 7.138 -5.212 1.00 0.00 C ATOM 893 O LYS A 62 -0.210 8.335 -5.444 1.00 0.00 O ATOM 894 CB LYS A 62 -0.952 5.385 -6.989 1.00 0.00 C ATOM 895 CG LYS A 62 -0.534 5.211 -8.450 1.00 0.00 C ATOM 896 CD LYS A 62 -0.084 3.775 -8.725 1.00 0.00 C ATOM 897 CE LYS A 62 1.172 3.751 -9.598 1.00 0.00 C ATOM 898 NZ LYS A 62 1.737 2.385 -9.656 1.00 0.00 N ATOM 0 H LYS A 62 0.568 4.150 -5.478 1.00 0.00 H new ATOM 0 HA LYS A 62 0.769 6.596 -6.914 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.169 4.411 -6.551 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.870 5.970 -6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.368 5.466 -9.103 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.277 5.901 -8.685 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.115 3.266 -7.782 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.886 3.228 -9.220 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.929 4.093 -10.604 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.914 4.441 -9.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.634 2.402 -10.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.908 2.039 -8.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.066 1.752 -10.137 1.00 0.00 H new ATOM 912 N CYS A 63 -1.000 6.660 -4.145 1.00 0.00 N ATOM 913 CA CYS A 63 -1.551 7.552 -3.138 1.00 0.00 C ATOM 914 C CYS A 63 -0.506 8.625 -2.824 1.00 0.00 C ATOM 915 O CYS A 63 -0.776 9.817 -2.959 1.00 0.00 O ATOM 916 CB CYS A 63 -1.981 6.790 -1.883 1.00 0.00 C ATOM 917 SG CYS A 63 -2.782 7.818 -0.598 1.00 0.00 S ATOM 0 H CYS A 63 -1.136 5.667 -3.956 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.454 8.027 -3.523 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.669 5.996 -2.175 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.105 6.309 -1.449 1.00 0.00 H new ATOM 922 N HIS A 64 0.665 8.162 -2.410 1.00 0.00 N ATOM 923 CA HIS A 64 1.751 9.068 -2.075 1.00 0.00 C ATOM 924 C HIS A 64 1.837 10.176 -3.126 1.00 0.00 C ATOM 925 O HIS A 64 1.697 11.355 -2.803 1.00 0.00 O ATOM 926 CB HIS A 64 3.065 8.302 -1.912 1.00 0.00 C ATOM 927 CG HIS A 64 4.261 9.185 -1.645 1.00 0.00 C ATOM 928 ND1 HIS A 64 4.807 10.194 -2.382 1.00 0.00 N flip ATOM 929 CD2 HIS A 64 5.036 9.072 -0.503 1.00 0.00 C flip ATOM 930 CE1 HIS A 64 5.857 10.673 -1.726 1.00 0.00 C flip ATOM 931 NE2 HIS A 64 6.001 9.978 -0.561 1.00 0.00 N flip ATOM 0 H HIS A 64 0.885 7.172 -2.299 1.00 0.00 H new ATOM 0 HA HIS A 64 1.552 9.542 -1.114 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.960 7.592 -1.092 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.250 7.721 -2.816 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.880 8.365 0.299 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.493 11.480 -2.060 1.00 0.00 H new ATOM 0 HE2 HIS A 64 6.724 10.129 0.142 1.00 0.00 H new ATOM 939 N LYS A 65 2.067 9.759 -4.362 1.00 0.00 N ATOM 940 CA LYS A 65 2.173 10.703 -5.463 1.00 0.00 C ATOM 941 C LYS A 65 0.867 11.491 -5.581 1.00 0.00 C ATOM 942 O LYS A 65 0.873 12.652 -5.985 1.00 0.00 O ATOM 943 CB LYS A 65 2.575 9.981 -6.750 1.00 0.00 C ATOM 944 CG LYS A 65 1.938 10.645 -7.973 1.00 0.00 C ATOM 945 CD LYS A 65 2.365 9.943 -9.263 1.00 0.00 C ATOM 946 CE LYS A 65 1.181 9.225 -9.915 1.00 0.00 C ATOM 947 NZ LYS A 65 0.819 9.878 -11.193 1.00 0.00 N ATOM 0 H LYS A 65 2.183 8.781 -4.626 1.00 0.00 H new ATOM 0 HA LYS A 65 2.965 11.426 -5.270 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.660 9.988 -6.852 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.267 8.937 -6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.852 10.617 -7.882 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.228 11.695 -8.013 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.780 10.673 -9.958 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.156 9.225 -9.046 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.435 8.180 -10.093 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.325 9.235 -9.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.014 9.379 -11.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.557 10.868 -11.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.632 9.846 -11.841 1.00 0.00 H new ATOM 961 N ALA A 66 -0.222 10.827 -5.221 1.00 0.00 N ATOM 962 CA ALA A 66 -1.533 11.451 -5.282 1.00 0.00 C ATOM 963 C ALA A 66 -1.597 12.594 -4.267 1.00 0.00 C ATOM 964 O ALA A 66 -1.835 13.743 -4.634 1.00 0.00 O ATOM 965 CB ALA A 66 -2.613 10.395 -5.040 1.00 0.00 C ATOM 0 H ALA A 66 -0.223 9.864 -4.886 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.709 11.877 -6.270 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.596 10.863 -5.086 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.543 9.621 -5.805 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.470 9.947 -4.057 1.00 0.00 H new ATOM 971 N CYS A 67 -1.380 12.238 -3.009 1.00 0.00 N ATOM 972 CA CYS A 67 -1.410 13.219 -1.938 1.00 0.00 C ATOM 973 C CYS A 67 -0.401 14.321 -2.267 1.00 0.00 C ATOM 974 O CYS A 67 -0.720 15.506 -2.180 1.00 0.00 O ATOM 975 CB CYS A 67 -1.131 12.579 -0.576 1.00 0.00 C ATOM 976 SG CYS A 67 -1.247 13.722 0.848 1.00 0.00 S ATOM 0 H CYS A 67 -1.183 11.284 -2.708 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.408 13.651 -1.866 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.834 11.760 -0.424 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.132 12.143 -0.593 1.00 0.00 H new ATOM 981 N ARG A 68 0.796 13.892 -2.640 1.00 0.00 N ATOM 982 CA ARG A 68 1.853 14.827 -2.983 1.00 0.00 C ATOM 983 C ARG A 68 1.350 15.845 -4.009 1.00 0.00 C ATOM 984 O ARG A 68 1.364 17.048 -3.754 1.00 0.00 O ATOM 985 CB ARG A 68 3.071 14.097 -3.554 1.00 0.00 C ATOM 986 CG ARG A 68 4.107 15.091 -4.084 1.00 0.00 C ATOM 987 CD ARG A 68 4.408 14.833 -5.561 1.00 0.00 C ATOM 988 NE ARG A 68 3.825 15.911 -6.392 1.00 0.00 N ATOM 989 CZ ARG A 68 4.262 16.235 -7.617 1.00 0.00 C ATOM 990 NH1 ARG A 68 5.288 15.566 -8.161 1.00 0.00 N ATOM 991 NH2 ARG A 68 3.672 17.227 -8.297 1.00 0.00 N ATOM 0 H ARG A 68 1.057 12.909 -2.712 1.00 0.00 H new ATOM 0 HA ARG A 68 2.148 15.343 -2.069 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.521 13.474 -2.781 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.757 13.431 -4.357 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.738 16.109 -3.957 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.025 15.010 -3.502 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.486 14.784 -5.718 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.998 13.869 -5.861 1.00 0.00 H new ATOM 0 HE ARG A 68 3.042 16.440 -6.008 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.736 14.810 -7.643 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.621 15.812 -9.093 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.891 17.735 -7.882 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.004 17.474 -9.229 1.00 0.00 H new ATOM 1005 N ALA A 69 0.915 15.324 -5.147 1.00 0.00 N ATOM 1006 CA ALA A 69 0.408 16.172 -6.212 1.00 0.00 C ATOM 1007 C ALA A 69 -0.822 16.932 -5.711 1.00 0.00 C ATOM 1008 O ALA A 69 -1.254 17.901 -6.334 1.00 0.00 O ATOM 1009 CB ALA A 69 0.104 15.317 -7.444 1.00 0.00 C ATOM 0 H ALA A 69 0.903 14.325 -5.355 1.00 0.00 H new ATOM 0 HA ALA A 69 1.155 16.910 -6.504 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.276 15.953 -8.243 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.016 14.822 -7.777 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.644 14.566 -7.190 1.00 0.00 H new ATOM 1015 N ALA A 70 -1.352 16.463 -4.591 1.00 0.00 N ATOM 1016 CA ALA A 70 -2.524 17.086 -3.999 1.00 0.00 C ATOM 1017 C ALA A 70 -2.114 18.400 -3.331 1.00 0.00 C ATOM 1018 O ALA A 70 -2.379 19.479 -3.861 1.00 0.00 O ATOM 1019 CB ALA A 70 -3.179 16.112 -3.018 1.00 0.00 C ATOM 0 H ALA A 70 -0.991 15.659 -4.078 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.262 17.322 -4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.058 16.579 -2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.477 15.207 -3.548 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.469 15.854 -2.232 1.00 0.00 H new ATOM 1025 N ASN A 71 -1.476 18.267 -2.178 1.00 0.00 N ATOM 1026 CA ASN A 71 -1.028 19.430 -1.431 1.00 0.00 C ATOM 1027 C ASN A 71 0.318 19.899 -1.987 1.00 0.00 C ATOM 1028 O ASN A 71 0.432 21.018 -2.485 1.00 0.00 O ATOM 1029 CB ASN A 71 -0.838 19.095 0.049 1.00 0.00 C ATOM 1030 CG ASN A 71 -2.122 18.521 0.651 1.00 0.00 C ATOM 1031 OD1 ASN A 71 -3.055 19.234 0.982 1.00 0.00 O ATOM 1032 ND2 ASN A 71 -2.117 17.197 0.774 1.00 0.00 N ATOM 0 H ASN A 71 -1.258 17.371 -1.742 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.786 20.207 -1.529 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.026 18.376 0.161 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.546 19.993 0.594 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.928 16.718 1.166 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.302 16.660 0.477 1.00 0.00 H new ATOM 1039 N CYS A 72 1.304 19.020 -1.883 1.00 0.00 N ATOM 1040 CA CYS A 72 2.638 19.331 -2.369 1.00 0.00 C ATOM 1041 C CYS A 72 2.605 19.325 -3.898 1.00 0.00 C ATOM 1042 O CYS A 72 3.220 18.469 -4.533 1.00 0.00 O ATOM 1043 CB CYS A 72 3.681 18.358 -1.816 1.00 0.00 C ATOM 1044 SG CYS A 72 3.355 17.766 -0.116 1.00 0.00 S ATOM 0 H CYS A 72 1.206 18.093 -1.469 1.00 0.00 H new ATOM 0 HA CYS A 72 2.936 20.319 -2.017 1.00 0.00 H new ATOM 0 HB2 CYS A 72 3.741 17.496 -2.480 1.00 0.00 H new ATOM 0 HB3 CYS A 72 4.657 18.844 -1.835 1.00 0.00 H new ATOM 1049 N ALA A 73 1.882 20.290 -4.447 1.00 0.00 N ATOM 1050 CA ALA A 73 1.761 20.407 -5.890 1.00 0.00 C ATOM 1051 C ALA A 73 2.951 21.200 -6.434 1.00 0.00 C ATOM 1052 O ALA A 73 3.564 20.805 -7.424 1.00 0.00 O ATOM 1053 CB ALA A 73 0.419 21.054 -6.240 1.00 0.00 C ATOM 0 H ALA A 73 1.374 20.999 -3.918 1.00 0.00 H new ATOM 0 HA ALA A 73 1.779 19.423 -6.358 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.329 21.142 -7.323 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.393 20.437 -5.857 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.365 22.045 -5.790 1.00 0.00 H new ATOM 1059 N SER A 74 3.241 22.305 -5.763 1.00 0.00 N ATOM 1060 CA SER A 74 4.346 23.158 -6.167 1.00 0.00 C ATOM 1061 C SER A 74 5.621 22.746 -5.429 1.00 0.00 C ATOM 1062 O SER A 74 6.713 22.797 -5.993 1.00 0.00 O ATOM 1063 CB SER A 74 4.031 24.631 -5.901 1.00 0.00 C ATOM 1064 OG SER A 74 2.928 25.090 -6.679 1.00 0.00 O ATOM 0 H SER A 74 2.730 22.629 -4.942 1.00 0.00 H new ATOM 0 HA SER A 74 4.498 23.036 -7.239 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.811 24.769 -4.843 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.910 25.236 -6.125 1.00 0.00 H new ATOM 0 HG SER A 74 2.757 26.034 -6.479 1.00 0.00 H new ATOM 1070 N GLU A 75 5.441 22.348 -4.178 1.00 0.00 N ATOM 1071 CA GLU A 75 6.563 21.928 -3.357 1.00 0.00 C ATOM 1072 C GLU A 75 7.421 20.911 -4.111 1.00 0.00 C ATOM 1073 O GLU A 75 8.632 20.839 -3.904 1.00 0.00 O ATOM 1074 CB GLU A 75 6.082 21.357 -2.022 1.00 0.00 C ATOM 1075 CG GLU A 75 5.779 22.476 -1.024 1.00 0.00 C ATOM 1076 CD GLU A 75 4.446 23.154 -1.349 1.00 0.00 C ATOM 1077 OE1 GLU A 75 3.535 22.427 -1.799 1.00 0.00 O ATOM 1078 OE2 GLU A 75 4.369 24.384 -1.139 1.00 0.00 O ATOM 0 H GLU A 75 4.534 22.308 -3.713 1.00 0.00 H new ATOM 0 HA GLU A 75 7.177 22.802 -3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.187 20.755 -2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.843 20.694 -1.611 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.747 22.068 -0.014 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.581 23.214 -1.045 1.00 0.00 H new ATOM 1085 N CYS A 76 6.761 20.149 -4.971 1.00 0.00 N ATOM 1086 CA CYS A 76 7.448 19.138 -5.757 1.00 0.00 C ATOM 1087 C CYS A 76 7.632 19.678 -7.177 1.00 0.00 C ATOM 1088 O CYS A 76 6.671 19.766 -7.940 1.00 0.00 O ATOM 1089 CB CYS A 76 6.698 17.805 -5.746 1.00 0.00 C ATOM 1090 SG CYS A 76 7.191 16.658 -4.408 1.00 0.00 S ATOM 0 H CYS A 76 5.757 20.212 -5.141 1.00 0.00 H new ATOM 0 HA CYS A 76 8.424 18.933 -5.317 1.00 0.00 H new ATOM 0 HB2 CYS A 76 5.630 18.006 -5.658 1.00 0.00 H new ATOM 0 HB3 CYS A 76 6.852 17.310 -6.705 1.00 0.00 H new ATOM 1095 N PRO A 77 8.905 20.033 -7.497 1.00 0.00 N ATOM 1096 CA PRO A 77 9.227 20.561 -8.811 1.00 0.00 C ATOM 1097 C PRO A 77 9.237 19.449 -9.862 1.00 0.00 C ATOM 1098 O PRO A 77 9.281 18.268 -9.520 1.00 0.00 O ATOM 1099 CB PRO A 77 10.580 21.233 -8.645 1.00 0.00 C ATOM 1100 CG PRO A 77 11.177 20.658 -7.371 1.00 0.00 C ATOM 1101 CD PRO A 77 10.068 19.942 -6.618 1.00 0.00 C ATOM 0 HA PRO A 77 8.485 21.274 -9.171 1.00 0.00 H new ATOM 0 HB2 PRO A 77 11.223 21.034 -9.502 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.472 22.315 -8.572 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.986 19.967 -7.607 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.604 21.451 -6.758 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.332 18.904 -6.417 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.874 20.414 -5.655 1.00 0.00 H new ATOM 1109 N LYS A 78 9.196 19.865 -11.119 1.00 0.00 N ATOM 1110 CA LYS A 78 9.200 18.919 -12.221 1.00 0.00 C ATOM 1111 C LYS A 78 10.645 18.564 -12.578 1.00 0.00 C ATOM 1112 O LYS A 78 11.151 18.982 -13.619 1.00 0.00 O ATOM 1113 CB LYS A 78 8.392 19.465 -13.400 1.00 0.00 C ATOM 1114 CG LYS A 78 8.238 18.409 -14.496 1.00 0.00 C ATOM 1115 CD LYS A 78 7.210 17.349 -14.097 1.00 0.00 C ATOM 1116 CE LYS A 78 7.301 16.126 -15.011 1.00 0.00 C ATOM 1117 NZ LYS A 78 6.168 15.206 -14.760 1.00 0.00 N ATOM 0 H LYS A 78 9.160 20.845 -11.399 1.00 0.00 H new ATOM 0 HA LYS A 78 8.706 17.992 -11.928 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.408 19.782 -13.055 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.887 20.347 -13.807 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.930 18.887 -15.426 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.200 17.934 -14.686 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.376 17.048 -13.063 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.207 17.772 -14.149 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.296 16.443 -16.054 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.244 15.606 -14.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.245 14.381 -15.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.190 14.890 -13.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.272 15.700 -14.945 1.00 0.00 H new ATOM 1131 N HIS A 79 11.268 17.797 -11.696 1.00 0.00 N ATOM 1132 CA HIS A 79 12.644 17.382 -11.905 1.00 0.00 C ATOM 1133 C HIS A 79 13.066 16.422 -10.790 1.00 0.00 C ATOM 1134 O HIS A 79 13.374 15.260 -11.050 1.00 0.00 O ATOM 1135 CB HIS A 79 13.567 18.597 -12.021 1.00 0.00 C ATOM 1136 CG HIS A 79 14.990 18.254 -12.391 1.00 0.00 C ATOM 1137 ND1 HIS A 79 16.032 19.159 -12.282 1.00 0.00 N ATOM 1138 CD2 HIS A 79 15.533 17.098 -12.869 1.00 0.00 C ATOM 1139 CE1 HIS A 79 17.146 18.563 -12.680 1.00 0.00 C ATOM 1140 NE2 HIS A 79 16.835 17.286 -13.043 1.00 0.00 N ATOM 0 H HIS A 79 10.845 17.452 -10.835 1.00 0.00 H new ATOM 0 HA HIS A 79 12.725 16.845 -12.850 1.00 0.00 H new ATOM 0 HB2 HIS A 79 13.162 19.278 -12.769 1.00 0.00 H new ATOM 0 HB3 HIS A 79 13.568 19.132 -11.071 1.00 0.00 H new ATOM 0 HD2 HIS A 79 14.994 16.184 -13.072 1.00 0.00 H new ATOM 0 HE1 HIS A 79 18.129 19.010 -12.711 1.00 0.00 H new ATOM 0 HE2 HIS A 79 17.494 16.590 -13.391 1.00 0.00 H new ATOM 1148 N GLU A 80 13.066 16.944 -9.572 1.00 0.00 N ATOM 1149 CA GLU A 80 13.444 16.149 -8.417 1.00 0.00 C ATOM 1150 C GLU A 80 12.454 15.000 -8.216 1.00 0.00 C ATOM 1151 O GLU A 80 11.557 14.798 -9.034 1.00 0.00 O ATOM 1152 CB GLU A 80 13.539 17.016 -7.161 1.00 0.00 C ATOM 1153 CG GLU A 80 14.730 17.974 -7.245 1.00 0.00 C ATOM 1154 CD GLU A 80 15.468 18.049 -5.907 1.00 0.00 C ATOM 1155 OE1 GLU A 80 16.146 17.052 -5.575 1.00 0.00 O ATOM 1156 OE2 GLU A 80 15.339 19.102 -5.245 1.00 0.00 O ATOM 0 H GLU A 80 12.810 17.908 -9.360 1.00 0.00 H new ATOM 0 HA GLU A 80 14.431 15.725 -8.601 1.00 0.00 H new ATOM 0 HB2 GLU A 80 12.618 17.585 -7.037 1.00 0.00 H new ATOM 0 HB3 GLU A 80 13.641 16.379 -6.282 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.415 17.641 -8.024 1.00 0.00 H new ATOM 0 HG3 GLU A 80 14.383 18.967 -7.529 1.00 0.00 H new ATOM 1163 N HIS A 81 12.649 14.277 -7.123 1.00 0.00 N ATOM 1164 CA HIS A 81 11.784 13.153 -6.805 1.00 0.00 C ATOM 1165 C HIS A 81 11.251 13.305 -5.379 1.00 0.00 C ATOM 1166 O HIS A 81 10.041 13.370 -5.168 1.00 0.00 O ATOM 1167 CB HIS A 81 12.512 11.826 -7.028 1.00 0.00 C ATOM 1168 CG HIS A 81 13.912 11.791 -6.461 1.00 0.00 C ATOM 1169 ND1 HIS A 81 15.021 12.519 -6.778 1.00 0.00 N flip ATOM 1170 CD2 HIS A 81 14.287 10.929 -5.445 1.00 0.00 C flip ATOM 1171 CE1 HIS A 81 16.019 12.124 -5.998 1.00 0.00 C flip ATOM 1172 NE2 HIS A 81 15.567 11.138 -5.171 1.00 0.00 N flip ATOM 0 H HIS A 81 13.393 14.447 -6.446 1.00 0.00 H new ATOM 0 HA HIS A 81 10.927 13.147 -7.478 1.00 0.00 H new ATOM 0 HB2 HIS A 81 11.928 11.023 -6.578 1.00 0.00 H new ATOM 0 HB3 HIS A 81 12.559 11.624 -8.098 1.00 0.00 H new ATOM 0 HD2 HIS A 81 13.646 10.209 -4.958 1.00 0.00 H new ATOM 0 HE1 HIS A 81 17.024 12.518 -6.015 1.00 0.00 H new ATOM 0 HE2 HIS A 81 16.117 10.648 -4.466 1.00 0.00 H new ATOM 1180 N LYS A 82 12.180 13.356 -4.436 1.00 0.00 N ATOM 1181 CA LYS A 82 11.819 13.498 -3.036 1.00 0.00 C ATOM 1182 C LYS A 82 12.574 14.687 -2.437 1.00 0.00 C ATOM 1183 O LYS A 82 13.595 14.508 -1.775 1.00 0.00 O ATOM 1184 CB LYS A 82 12.048 12.184 -2.287 1.00 0.00 C ATOM 1185 CG LYS A 82 10.772 11.340 -2.258 1.00 0.00 C ATOM 1186 CD LYS A 82 11.013 9.960 -2.872 1.00 0.00 C ATOM 1187 CE LYS A 82 11.712 9.031 -1.877 1.00 0.00 C ATOM 1188 NZ LYS A 82 10.803 7.939 -1.461 1.00 0.00 N ATOM 0 H LYS A 82 13.183 13.301 -4.614 1.00 0.00 H new ATOM 0 HA LYS A 82 10.755 13.713 -2.937 1.00 0.00 H new ATOM 0 HB2 LYS A 82 12.849 11.622 -2.767 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.373 12.394 -1.268 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.428 11.229 -1.230 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.981 11.852 -2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 82 10.062 9.523 -3.177 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.621 10.059 -3.771 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.610 8.612 -2.331 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.032 9.599 -1.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.293 7.318 -0.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.958 8.344 -1.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.518 7.387 -2.295 1.00 0.00 H new ATOM 1202 N SER A 83 12.042 15.874 -2.691 1.00 0.00 N ATOM 1203 CA SER A 83 12.653 17.091 -2.185 1.00 0.00 C ATOM 1204 C SER A 83 12.218 17.333 -0.739 1.00 0.00 C ATOM 1205 O SER A 83 11.033 17.247 -0.421 1.00 0.00 O ATOM 1206 CB SER A 83 12.288 18.294 -3.058 1.00 0.00 C ATOM 1207 OG SER A 83 10.906 18.303 -3.404 1.00 0.00 O ATOM 0 H SER A 83 11.195 16.018 -3.240 1.00 0.00 H new ATOM 0 HA SER A 83 13.736 16.969 -2.216 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.535 19.214 -2.529 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.889 18.278 -3.967 1.00 0.00 H new ATOM 0 HG SER A 83 10.713 19.087 -3.960 1.00 0.00 H new ATOM 1213 N ASP A 84 13.200 17.631 0.099 1.00 0.00 N ATOM 1214 CA ASP A 84 12.933 17.886 1.505 1.00 0.00 C ATOM 1215 C ASP A 84 11.666 18.734 1.633 1.00 0.00 C ATOM 1216 O ASP A 84 10.710 18.332 2.294 1.00 0.00 O ATOM 1217 CB ASP A 84 14.085 18.657 2.153 1.00 0.00 C ATOM 1218 CG ASP A 84 15.360 17.843 2.379 1.00 0.00 C ATOM 1219 OD1 ASP A 84 15.267 16.601 2.274 1.00 0.00 O ATOM 1220 OD2 ASP A 84 16.400 18.481 2.652 1.00 0.00 O ATOM 0 H ASP A 84 14.182 17.702 -0.168 1.00 0.00 H new ATOM 0 HA ASP A 84 12.815 16.925 2.006 1.00 0.00 H new ATOM 0 HB2 ASP A 84 14.326 19.515 1.526 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.747 19.048 3.112 1.00 0.00 H new ATOM 1225 N THR A 85 11.699 19.892 0.990 1.00 0.00 N ATOM 1226 CA THR A 85 10.566 20.800 1.024 1.00 0.00 C ATOM 1227 C THR A 85 9.257 20.027 0.849 1.00 0.00 C ATOM 1228 O THR A 85 8.312 20.217 1.613 1.00 0.00 O ATOM 1229 CB THR A 85 10.785 21.871 -0.046 1.00 0.00 C ATOM 1230 OG1 THR A 85 9.700 22.776 0.140 1.00 0.00 O ATOM 1231 CG2 THR A 85 10.583 21.333 -1.464 1.00 0.00 C ATOM 0 H THR A 85 12.493 20.222 0.442 1.00 0.00 H new ATOM 0 HA THR A 85 10.488 21.297 1.991 1.00 0.00 H new ATOM 0 HB THR A 85 11.793 22.276 0.048 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.765 23.504 -0.513 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.750 22.134 -2.184 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.289 20.524 -1.650 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.565 20.957 -1.569 1.00 0.00 H new ATOM 1239 N CYS A 86 9.244 19.169 -0.161 1.00 0.00 N ATOM 1240 CA CYS A 86 8.068 18.366 -0.446 1.00 0.00 C ATOM 1241 C CYS A 86 7.837 17.418 0.733 1.00 0.00 C ATOM 1242 O CYS A 86 6.737 17.361 1.282 1.00 0.00 O ATOM 1243 CB CYS A 86 8.206 17.609 -1.768 1.00 0.00 C ATOM 1244 SG CYS A 86 6.630 17.305 -2.647 1.00 0.00 S ATOM 0 H CYS A 86 10.030 19.013 -0.792 1.00 0.00 H new ATOM 0 HA CYS A 86 7.201 19.016 -0.565 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.869 18.172 -2.425 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.688 16.651 -1.573 1.00 0.00 H new ATOM 1249 N ARG A 87 8.890 16.697 1.086 1.00 0.00 N ATOM 1250 CA ARG A 87 8.816 15.754 2.190 1.00 0.00 C ATOM 1251 C ARG A 87 8.285 16.448 3.446 1.00 0.00 C ATOM 1252 O ARG A 87 7.545 15.849 4.224 1.00 0.00 O ATOM 1253 CB ARG A 87 10.189 15.150 2.491 1.00 0.00 C ATOM 1254 CG ARG A 87 10.771 14.467 1.252 1.00 0.00 C ATOM 1255 CD ARG A 87 12.064 13.722 1.593 1.00 0.00 C ATOM 1256 NE ARG A 87 11.789 12.659 2.585 1.00 0.00 N ATOM 1257 CZ ARG A 87 11.798 12.849 3.911 1.00 0.00 C ATOM 1258 NH1 ARG A 87 12.068 14.062 4.413 1.00 0.00 N ATOM 1259 NH2 ARG A 87 11.537 11.826 4.736 1.00 0.00 N ATOM 0 H ARG A 87 9.800 16.746 0.627 1.00 0.00 H new ATOM 0 HA ARG A 87 8.136 14.954 1.898 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.867 15.932 2.832 1.00 0.00 H new ATOM 0 HB3 ARG A 87 10.102 14.427 3.302 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.042 13.768 0.841 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.969 15.212 0.481 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.491 13.286 0.690 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.801 14.420 1.990 1.00 0.00 H new ATOM 0 HE ARG A 87 11.580 11.723 2.237 1.00 0.00 H new ATOM 0 HH11 ARG A 87 12.267 14.841 3.785 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.075 14.206 5.423 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.332 10.903 4.354 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.544 11.971 5.746 1.00 0.00 H new ATOM 1273 N ALA A 88 8.684 17.702 3.604 1.00 0.00 N ATOM 1274 CA ALA A 88 8.258 18.483 4.753 1.00 0.00 C ATOM 1275 C ALA A 88 6.766 18.797 4.625 1.00 0.00 C ATOM 1276 O ALA A 88 6.071 18.946 5.628 1.00 0.00 O ATOM 1277 CB ALA A 88 9.113 19.747 4.856 1.00 0.00 C ATOM 0 H ALA A 88 9.297 18.196 2.956 1.00 0.00 H new ATOM 0 HA ALA A 88 8.398 17.919 5.675 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.794 20.333 5.718 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.160 19.469 4.974 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.995 20.341 3.950 1.00 0.00 H new ATOM 1283 N CYS A 89 6.318 18.890 3.381 1.00 0.00 N ATOM 1284 CA CYS A 89 4.921 19.184 3.109 1.00 0.00 C ATOM 1285 C CYS A 89 4.107 17.911 3.349 1.00 0.00 C ATOM 1286 O CYS A 89 3.184 17.904 4.163 1.00 0.00 O ATOM 1287 CB CYS A 89 4.724 19.729 1.693 1.00 0.00 C ATOM 1288 SG CYS A 89 3.047 19.483 1.003 1.00 0.00 S ATOM 0 H CYS A 89 6.898 18.767 2.551 1.00 0.00 H new ATOM 0 HA CYS A 89 4.574 19.968 3.781 1.00 0.00 H new ATOM 0 HB2 CYS A 89 4.948 20.796 1.695 1.00 0.00 H new ATOM 0 HB3 CYS A 89 5.447 19.253 1.031 1.00 0.00 H new ATOM 1293 N MET A 90 4.477 16.864 2.626 1.00 0.00 N ATOM 1294 CA MET A 90 3.793 15.589 2.750 1.00 0.00 C ATOM 1295 C MET A 90 3.916 15.037 4.172 1.00 0.00 C ATOM 1296 O MET A 90 3.097 14.224 4.600 1.00 0.00 O ATOM 1297 CB MET A 90 4.393 14.588 1.760 1.00 0.00 C ATOM 1298 CG MET A 90 5.649 13.933 2.337 1.00 0.00 C ATOM 1299 SD MET A 90 5.256 12.311 2.970 1.00 0.00 S ATOM 1300 CE MET A 90 4.522 11.580 1.517 1.00 0.00 C ATOM 0 H MET A 90 5.242 16.873 1.952 1.00 0.00 H new ATOM 0 HA MET A 90 2.737 15.742 2.529 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.656 13.821 1.521 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.639 15.096 0.828 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.416 13.856 1.566 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.060 14.554 3.134 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.606 10.495 1.574 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.470 11.860 1.461 1.00 0.00 H new ATOM 0 HE3 MET A 90 5.041 11.938 0.628 1.00 0.00 H new ATOM 1310 N LYS A 91 4.946 15.499 4.865 1.00 0.00 N ATOM 1311 CA LYS A 91 5.187 15.062 6.230 1.00 0.00 C ATOM 1312 C LYS A 91 3.972 15.408 7.094 1.00 0.00 C ATOM 1313 O LYS A 91 3.561 14.615 7.939 1.00 0.00 O ATOM 1314 CB LYS A 91 6.501 15.644 6.755 1.00 0.00 C ATOM 1315 CG LYS A 91 6.507 15.691 8.284 1.00 0.00 C ATOM 1316 CD LYS A 91 7.910 15.989 8.818 1.00 0.00 C ATOM 1317 CE LYS A 91 8.047 15.549 10.276 1.00 0.00 C ATOM 1318 NZ LYS A 91 9.402 15.858 10.786 1.00 0.00 N ATOM 0 H LYS A 91 5.624 16.172 4.507 1.00 0.00 H new ATOM 0 HA LYS A 91 5.307 13.979 6.268 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.337 15.040 6.403 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.643 16.648 6.356 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.812 16.456 8.631 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.157 14.738 8.682 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.652 15.474 8.208 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.115 17.056 8.736 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.298 16.054 10.886 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.856 14.479 10.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.478 15.553 11.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.111 15.356 10.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.570 16.882 10.725 1.00 0.00 H new ATOM 1332 N THR A 92 3.432 16.593 6.851 1.00 0.00 N ATOM 1333 CA THR A 92 2.272 17.054 7.596 1.00 0.00 C ATOM 1334 C THR A 92 0.995 16.833 6.784 1.00 0.00 C ATOM 1335 O THR A 92 0.085 16.135 7.229 1.00 0.00 O ATOM 1336 CB THR A 92 2.506 18.517 7.977 1.00 0.00 C ATOM 1337 OG1 THR A 92 3.433 18.451 9.057 1.00 0.00 O ATOM 1338 CG2 THR A 92 1.264 19.168 8.590 1.00 0.00 C ATOM 0 H THR A 92 3.776 17.248 6.149 1.00 0.00 H new ATOM 0 HA THR A 92 2.138 16.482 8.514 1.00 0.00 H new ATOM 0 HB THR A 92 2.811 19.078 7.093 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.642 19.358 9.365 1.00 0.00 H new ATOM 0 HG21 THR A 92 1.484 20.205 8.842 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.444 19.135 7.872 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.978 18.628 9.493 1.00 0.00 H new ATOM 1346 N ASN A 93 0.967 17.442 5.607 1.00 0.00 N ATOM 1347 CA ASN A 93 -0.184 17.321 4.729 1.00 0.00 C ATOM 1348 C ASN A 93 -0.526 15.841 4.544 1.00 0.00 C ATOM 1349 O ASN A 93 -1.650 15.421 4.814 1.00 0.00 O ATOM 1350 CB ASN A 93 0.111 17.914 3.350 1.00 0.00 C ATOM 1351 CG ASN A 93 -0.082 19.431 3.353 1.00 0.00 C ATOM 1352 OD1 ASN A 93 -1.103 19.954 2.937 1.00 0.00 O ATOM 1353 ND2 ASN A 93 0.952 20.107 3.844 1.00 0.00 N ATOM 0 H ASN A 93 1.723 18.021 5.241 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.014 17.862 5.184 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.134 17.675 3.058 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -0.546 17.462 2.607 1.00 0.00 H new ATOM 0 HD21 ASN A 93 0.920 21.126 3.889 1.00 0.00 H new ATOM 0 HD22 ASN A 93 1.777 19.607 4.176 1.00 0.00 H new ATOM 1360 N CYS A 94 0.465 15.090 4.086 1.00 0.00 N ATOM 1361 CA CYS A 94 0.283 13.666 3.862 1.00 0.00 C ATOM 1362 C CYS A 94 0.676 12.925 5.141 1.00 0.00 C ATOM 1363 O CYS A 94 0.270 13.311 6.236 1.00 0.00 O ATOM 1364 CB CYS A 94 1.082 13.178 2.651 1.00 0.00 C ATOM 1365 SG CYS A 94 0.802 14.128 1.113 1.00 0.00 S ATOM 0 H CYS A 94 1.397 15.441 3.864 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.763 13.462 3.632 1.00 0.00 H new ATOM 0 HB2 CYS A 94 2.144 13.214 2.895 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.833 12.133 2.466 1.00 0.00 H new ATOM 1370 N LYS A 95 1.461 11.873 4.960 1.00 0.00 N ATOM 1371 CA LYS A 95 1.912 11.073 6.087 1.00 0.00 C ATOM 1372 C LYS A 95 3.330 11.501 6.474 1.00 0.00 C ATOM 1373 O LYS A 95 4.211 11.585 5.620 1.00 0.00 O ATOM 1374 CB LYS A 95 1.784 9.582 5.771 1.00 0.00 C ATOM 1375 CG LYS A 95 0.571 8.974 6.479 1.00 0.00 C ATOM 1376 CD LYS A 95 0.955 8.432 7.857 1.00 0.00 C ATOM 1377 CE LYS A 95 0.538 9.403 8.964 1.00 0.00 C ATOM 1378 NZ LYS A 95 0.739 8.789 10.295 1.00 0.00 N ATOM 0 H LYS A 95 1.796 11.556 4.050 1.00 0.00 H new ATOM 0 HA LYS A 95 1.277 11.246 6.956 1.00 0.00 H new ATOM 0 HB2 LYS A 95 1.689 9.442 4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.690 9.062 6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.208 9.729 6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.156 8.170 5.871 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.478 7.465 8.017 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.032 8.267 7.900 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.121 10.321 8.889 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.509 9.679 8.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.451 9.461 11.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.164 7.925 10.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.743 8.548 10.418 1.00 0.00 H new TER 1392 LYS A 95