USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 849 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 Single : A 1 ALA N :NH3+ -102:sc= 0.0791 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.028 X(o=-0.028,f=-0.11) USER MOD Single : A 5 ASN : amide:sc= -0.672 K(o=-0.67,f=-2.3!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 96:sc= 0.524 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 107:sc= 1.15 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS :FLIP no HD1:sc= -3.63! F(o=-4.2,f=-3.6!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -5.14! C(o=-5.1!,f=-14!) USER MOD Single : A 24 TYR OH : rot -28:sc= -0.685 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -4.52! C(o=-4.5!,f=-20!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 83:sc= 0.198 USER MOD Single : A 57 SER OG : rot 38:sc= -0.0387! USER MOD Single : A 58 ASN :FLIP amide:sc= 0.352 F(o=-0.91,f=0.35) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN :FLIP amide:sc= -0.331 F(o=-1.1,f=-0.33) USER MOD Single : A 78 TYR OH : rot 130:sc= -1.25 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 26:sc= 0.035 USER MOD Single : A 84 ASN : amide:sc= -1.27 K(o=-1.3,f=-2) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot -120:sc= -1.41 USER MOD Single : A 91 SER OG : rot 103:sc= 1.22 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= -1.8! USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -90:sc= -0.046 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0484 USER MOD Single : A 102 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.0013) USER MOD Single : A 103 TYR OH : rot -123:sc= 0.788 USER MOD Single : A 104 GLN : amide:sc= -1.1 K(o=-1.1,f=-3!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 9.206 20.421 3.919 1.00 0.00 N ATOM 2 CA ALA A 1 9.122 18.957 4.191 1.00 0.00 C ATOM 3 C ALA A 1 7.739 18.442 3.792 1.00 0.00 C ATOM 4 O ALA A 1 6.779 19.185 3.741 1.00 0.00 O ATOM 5 CB ALA A 1 9.350 18.702 5.683 1.00 0.00 C ATOM 0 H1 ALA A 1 9.740 20.581 3.041 1.00 0.00 H new ATOM 0 H2 ALA A 1 8.247 20.811 3.817 1.00 0.00 H new ATOM 0 H3 ALA A 1 9.689 20.894 4.709 1.00 0.00 H new ATOM 0 HA ALA A 1 9.884 18.436 3.612 1.00 0.00 H new ATOM 0 HB1 ALA A 1 9.289 17.632 5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 1 10.336 19.069 5.968 1.00 0.00 H new ATOM 0 HB3 ALA A 1 8.588 19.223 6.262 1.00 0.00 H new ATOM 13 N GLN A 2 7.627 17.173 3.508 1.00 0.00 N ATOM 14 CA GLN A 2 6.304 16.612 3.112 1.00 0.00 C ATOM 15 C GLN A 2 6.442 15.110 2.853 1.00 0.00 C ATOM 16 O GLN A 2 7.416 14.655 2.285 1.00 0.00 O ATOM 17 CB GLN A 2 5.817 17.305 1.838 1.00 0.00 C ATOM 18 CG GLN A 2 6.704 16.892 0.662 1.00 0.00 C ATOM 19 CD GLN A 2 5.906 15.999 -0.291 1.00 0.00 C ATOM 20 OE1 GLN A 2 5.927 14.791 -0.170 1.00 0.00 O ATOM 21 NE2 GLN A 2 5.199 16.548 -1.240 1.00 0.00 N ATOM 0 H GLN A 2 8.394 16.501 3.533 1.00 0.00 H new ATOM 0 HA GLN A 2 5.585 16.778 3.915 1.00 0.00 H new ATOM 0 HB2 GLN A 2 4.780 17.035 1.638 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.845 18.387 1.966 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.062 17.776 0.135 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.583 16.360 1.025 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.182 17.563 -1.341 1.00 0.00 H new ATOM 0 HE22 GLN A 2 4.663 15.962 -1.881 1.00 0.00 H new ATOM 30 N VAL A 3 5.475 14.336 3.264 1.00 0.00 N ATOM 31 CA VAL A 3 5.549 12.865 3.041 1.00 0.00 C ATOM 32 C VAL A 3 4.137 12.277 3.045 1.00 0.00 C ATOM 33 O VAL A 3 3.230 12.819 3.645 1.00 0.00 O ATOM 34 CB VAL A 3 6.374 12.221 4.157 1.00 0.00 C ATOM 35 CG1 VAL A 3 7.864 12.412 3.869 1.00 0.00 C ATOM 36 CG2 VAL A 3 6.025 12.880 5.494 1.00 0.00 C ATOM 0 H VAL A 3 4.636 14.660 3.745 1.00 0.00 H new ATOM 0 HA VAL A 3 6.022 12.666 2.079 1.00 0.00 H new ATOM 0 HB VAL A 3 6.148 11.156 4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.450 11.953 4.665 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.114 11.943 2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 3 8.091 13.477 3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.612 12.422 6.290 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.250 13.945 5.444 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.964 12.743 5.701 1.00 0.00 H new ATOM 46 N ILE A 4 3.943 11.171 2.379 1.00 0.00 N ATOM 47 CA ILE A 4 2.588 10.551 2.346 1.00 0.00 C ATOM 48 C ILE A 4 2.703 9.055 2.643 1.00 0.00 C ATOM 49 O ILE A 4 2.815 8.242 1.748 1.00 0.00 O ATOM 50 CB ILE A 4 1.969 10.749 0.961 1.00 0.00 C ATOM 51 CG1 ILE A 4 1.712 12.240 0.727 1.00 0.00 C ATOM 52 CG2 ILE A 4 0.646 9.986 0.878 1.00 0.00 C ATOM 53 CD1 ILE A 4 2.768 12.797 -0.229 1.00 0.00 C ATOM 0 H ILE A 4 4.663 10.671 1.857 1.00 0.00 H new ATOM 0 HA ILE A 4 1.955 11.023 3.098 1.00 0.00 H new ATOM 0 HB ILE A 4 2.653 10.373 0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.716 12.387 0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.744 12.778 1.674 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.206 10.128 -0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.827 8.924 1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.039 10.362 1.638 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.585 13.859 -0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.759 12.664 0.206 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.714 12.266 -1.180 1.00 0.00 H new ATOM 65 N ASN A 5 2.675 8.686 3.894 1.00 0.00 N ATOM 66 CA ASN A 5 2.783 7.243 4.247 1.00 0.00 C ATOM 67 C ASN A 5 1.879 6.941 5.445 1.00 0.00 C ATOM 68 O ASN A 5 2.315 6.406 6.444 1.00 0.00 O ATOM 69 CB ASN A 5 4.233 6.913 4.606 1.00 0.00 C ATOM 70 CG ASN A 5 4.718 7.869 5.698 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.783 9.064 5.489 1.00 0.00 O ATOM 72 ND2 ASN A 5 5.063 7.390 6.861 1.00 0.00 N ATOM 0 H ASN A 5 2.582 9.321 4.687 1.00 0.00 H new ATOM 0 HA ASN A 5 2.472 6.637 3.396 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.308 5.882 4.951 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.866 7.001 3.723 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.388 8.019 7.596 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.008 6.387 7.036 1.00 0.00 H new ATOM 79 N THR A 6 0.623 7.281 5.352 1.00 0.00 N ATOM 80 CA THR A 6 -0.306 7.012 6.485 1.00 0.00 C ATOM 81 C THR A 6 -1.689 6.647 5.938 1.00 0.00 C ATOM 82 O THR A 6 -1.886 6.542 4.744 1.00 0.00 O ATOM 83 CB THR A 6 -0.421 8.262 7.360 1.00 0.00 C ATOM 84 OG1 THR A 6 -0.240 9.419 6.556 1.00 0.00 O ATOM 85 CG2 THR A 6 0.650 8.224 8.451 1.00 0.00 C ATOM 0 H THR A 6 0.200 7.733 4.541 1.00 0.00 H new ATOM 0 HA THR A 6 0.081 6.185 7.080 1.00 0.00 H new ATOM 0 HB THR A 6 -1.407 8.292 7.824 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.315 10.221 7.115 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.567 9.115 9.074 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.510 7.336 9.068 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.638 8.194 7.991 1.00 0.00 H new ATOM 93 N PHE A 7 -2.648 6.453 6.803 1.00 0.00 N ATOM 94 CA PHE A 7 -4.014 6.094 6.332 1.00 0.00 C ATOM 95 C PHE A 7 -4.705 7.337 5.771 1.00 0.00 C ATOM 96 O PHE A 7 -5.119 7.367 4.632 1.00 0.00 O ATOM 97 CB PHE A 7 -4.831 5.543 7.504 1.00 0.00 C ATOM 98 CG PHE A 7 -4.375 4.141 7.823 1.00 0.00 C ATOM 99 CD1 PHE A 7 -4.401 3.153 6.833 1.00 0.00 C ATOM 100 CD2 PHE A 7 -3.924 3.832 9.111 1.00 0.00 C ATOM 101 CE1 PHE A 7 -3.977 1.854 7.131 1.00 0.00 C ATOM 102 CE2 PHE A 7 -3.499 2.532 9.410 1.00 0.00 C ATOM 103 CZ PHE A 7 -3.526 1.543 8.420 1.00 0.00 C ATOM 0 H PHE A 7 -2.543 6.528 7.815 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.940 5.336 5.552 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.710 6.183 8.378 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.892 5.543 7.253 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.748 3.393 5.839 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.904 4.596 9.874 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.997 1.091 6.367 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.151 2.292 10.404 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.199 0.540 8.650 1.00 0.00 H new ATOM 113 N ASP A 8 -4.837 8.363 6.565 1.00 0.00 N ATOM 114 CA ASP A 8 -5.503 9.604 6.076 1.00 0.00 C ATOM 115 C ASP A 8 -4.597 10.320 5.069 1.00 0.00 C ATOM 116 O ASP A 8 -5.062 10.972 4.155 1.00 0.00 O ATOM 117 CB ASP A 8 -5.781 10.533 7.260 1.00 0.00 C ATOM 118 CG ASP A 8 -7.290 10.676 7.453 1.00 0.00 C ATOM 119 OD1 ASP A 8 -7.954 9.658 7.560 1.00 0.00 O ATOM 120 OD2 ASP A 8 -7.759 11.803 7.490 1.00 0.00 O ATOM 0 H ASP A 8 -4.513 8.396 7.531 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.441 9.339 5.589 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.324 10.132 8.165 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.332 11.510 7.082 1.00 0.00 H new ATOM 125 N GLY A 9 -3.306 10.211 5.235 1.00 0.00 N ATOM 126 CA GLY A 9 -2.373 10.895 4.295 1.00 0.00 C ATOM 127 C GLY A 9 -2.442 10.231 2.921 1.00 0.00 C ATOM 128 O GLY A 9 -2.643 10.885 1.916 1.00 0.00 O ATOM 0 H GLY A 9 -2.858 9.678 5.980 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.634 11.950 4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.355 10.848 4.681 1.00 0.00 H new ATOM 132 N VAL A 10 -2.272 8.940 2.866 1.00 0.00 N ATOM 133 CA VAL A 10 -2.325 8.245 1.549 1.00 0.00 C ATOM 134 C VAL A 10 -3.746 8.321 0.994 1.00 0.00 C ATOM 135 O VAL A 10 -3.953 8.650 -0.155 1.00 0.00 O ATOM 136 CB VAL A 10 -1.916 6.783 1.721 1.00 0.00 C ATOM 137 CG1 VAL A 10 -1.892 6.097 0.354 1.00 0.00 C ATOM 138 CG2 VAL A 10 -0.520 6.720 2.345 1.00 0.00 C ATOM 0 H VAL A 10 -2.099 8.338 3.671 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.637 8.728 0.855 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.631 6.277 2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.600 5.054 0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.884 6.146 -0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.175 6.601 -0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.224 5.678 2.470 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.193 7.224 1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.534 7.212 3.317 1.00 0.00 H new ATOM 148 N ALA A 11 -4.726 8.031 1.801 1.00 0.00 N ATOM 149 CA ALA A 11 -6.130 8.105 1.312 1.00 0.00 C ATOM 150 C ALA A 11 -6.374 9.507 0.757 1.00 0.00 C ATOM 151 O ALA A 11 -7.043 9.689 -0.242 1.00 0.00 O ATOM 152 CB ALA A 11 -7.094 7.835 2.470 1.00 0.00 C ATOM 0 H ALA A 11 -4.617 7.747 2.775 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.296 7.359 0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.121 7.890 2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.905 6.842 2.877 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.943 8.581 3.250 1.00 0.00 H new ATOM 158 N ASP A 12 -5.820 10.502 1.398 1.00 0.00 N ATOM 159 CA ASP A 12 -6.000 11.897 0.914 1.00 0.00 C ATOM 160 C ASP A 12 -5.375 12.029 -0.474 1.00 0.00 C ATOM 161 O ASP A 12 -6.020 12.435 -1.421 1.00 0.00 O ATOM 162 CB ASP A 12 -5.301 12.861 1.873 1.00 0.00 C ATOM 163 CG ASP A 12 -6.347 13.594 2.715 1.00 0.00 C ATOM 164 OD1 ASP A 12 -6.892 14.570 2.227 1.00 0.00 O ATOM 165 OD2 ASP A 12 -6.584 13.167 3.832 1.00 0.00 O ATOM 0 H ASP A 12 -5.249 10.406 2.238 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.063 12.135 0.866 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.617 12.313 2.521 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.703 13.579 1.312 1.00 0.00 H new ATOM 170 N TYR A 13 -4.122 11.687 -0.603 1.00 0.00 N ATOM 171 CA TYR A 13 -3.458 11.790 -1.932 1.00 0.00 C ATOM 172 C TYR A 13 -4.154 10.853 -2.919 1.00 0.00 C ATOM 173 O TYR A 13 -4.017 10.986 -4.119 1.00 0.00 O ATOM 174 CB TYR A 13 -1.987 11.392 -1.799 1.00 0.00 C ATOM 175 CG TYR A 13 -1.204 11.956 -2.960 1.00 0.00 C ATOM 176 CD1 TYR A 13 -1.070 11.214 -4.141 1.00 0.00 C ATOM 177 CD2 TYR A 13 -0.612 13.220 -2.857 1.00 0.00 C ATOM 178 CE1 TYR A 13 -0.345 11.738 -5.218 1.00 0.00 C ATOM 179 CE2 TYR A 13 0.114 13.744 -3.934 1.00 0.00 C ATOM 180 CZ TYR A 13 0.248 13.003 -5.114 1.00 0.00 C ATOM 181 OH TYR A 13 0.962 13.519 -6.176 1.00 0.00 O ATOM 0 H TYR A 13 -3.531 11.341 0.153 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.524 12.816 -2.295 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.582 11.765 -0.858 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.894 10.306 -1.777 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.526 10.238 -4.220 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.715 13.792 -1.947 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.243 11.167 -6.129 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.570 14.720 -3.854 1.00 0.00 H new ATOM 0 HH TYR A 13 0.384 14.110 -6.702 1.00 0.00 H new ATOM 191 N LEU A 14 -4.904 9.909 -2.420 1.00 0.00 N ATOM 192 CA LEU A 14 -5.614 8.961 -3.323 1.00 0.00 C ATOM 193 C LEU A 14 -6.822 9.666 -3.946 1.00 0.00 C ATOM 194 O LEU A 14 -6.891 9.850 -5.139 1.00 0.00 O ATOM 195 CB LEU A 14 -6.079 7.743 -2.519 1.00 0.00 C ATOM 196 CG LEU A 14 -5.048 6.616 -2.642 1.00 0.00 C ATOM 197 CD1 LEU A 14 -5.061 5.769 -1.367 1.00 0.00 C ATOM 198 CD2 LEU A 14 -5.396 5.727 -3.836 1.00 0.00 C ATOM 0 H LEU A 14 -5.056 9.753 -1.423 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.941 8.631 -4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.210 8.016 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.048 7.403 -2.884 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.059 7.051 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.327 4.968 -1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.812 6.396 -0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.053 5.339 -1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.661 4.927 -3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.387 5.296 -3.692 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.389 6.324 -4.748 1.00 0.00 H new ATOM 210 N GLN A 15 -7.772 10.068 -3.149 1.00 0.00 N ATOM 211 CA GLN A 15 -8.963 10.767 -3.714 1.00 0.00 C ATOM 212 C GLN A 15 -8.554 12.162 -4.194 1.00 0.00 C ATOM 213 O GLN A 15 -9.302 12.841 -4.869 1.00 0.00 O ATOM 214 CB GLN A 15 -10.033 10.902 -2.630 1.00 0.00 C ATOM 215 CG GLN A 15 -9.516 11.825 -1.525 1.00 0.00 C ATOM 216 CD GLN A 15 -10.586 12.863 -1.181 1.00 0.00 C ATOM 217 OE1 GLN A 15 -11.403 12.643 -0.309 1.00 0.00 O ATOM 218 NE2 GLN A 15 -10.615 13.992 -1.834 1.00 0.00 N ATOM 0 H GLN A 15 -7.777 9.945 -2.137 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.359 10.192 -4.552 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -10.951 11.305 -3.057 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.276 9.923 -2.218 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.262 11.242 -0.640 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.603 12.323 -1.851 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.929 14.176 -2.566 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -11.324 14.691 -1.613 1.00 0.00 H new ATOM 227 N THR A 16 -7.375 12.600 -3.844 1.00 0.00 N ATOM 228 CA THR A 16 -6.925 13.956 -4.271 1.00 0.00 C ATOM 229 C THR A 16 -6.211 13.871 -5.614 1.00 0.00 C ATOM 230 O THR A 16 -6.656 14.413 -6.607 1.00 0.00 O ATOM 231 CB THR A 16 -5.970 14.529 -3.221 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.677 14.740 -2.007 1.00 0.00 O ATOM 233 CG2 THR A 16 -5.399 15.858 -3.719 1.00 0.00 C ATOM 0 H THR A 16 -6.704 12.078 -3.281 1.00 0.00 H new ATOM 0 HA THR A 16 -7.795 14.606 -4.371 1.00 0.00 H new ATOM 0 HB THR A 16 -5.153 13.828 -3.050 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.410 14.063 -1.351 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.719 16.265 -2.971 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.857 15.695 -4.651 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.213 16.562 -3.891 1.00 0.00 H new ATOM 241 N TYR A 17 -5.104 13.200 -5.649 1.00 0.00 N ATOM 242 CA TYR A 17 -4.342 13.075 -6.924 1.00 0.00 C ATOM 243 C TYR A 17 -4.825 11.842 -7.691 1.00 0.00 C ATOM 244 O TYR A 17 -4.351 11.544 -8.769 1.00 0.00 O ATOM 245 CB TYR A 17 -2.851 12.934 -6.612 1.00 0.00 C ATOM 246 CG TYR A 17 -2.300 14.275 -6.194 1.00 0.00 C ATOM 247 CD1 TYR A 17 -2.371 14.673 -4.853 1.00 0.00 C ATOM 248 CD2 TYR A 17 -1.719 15.122 -7.145 1.00 0.00 C ATOM 249 CE1 TYR A 17 -1.863 15.918 -4.464 1.00 0.00 C ATOM 250 CE2 TYR A 17 -1.209 16.367 -6.757 1.00 0.00 C ATOM 251 CZ TYR A 17 -1.282 16.765 -5.417 1.00 0.00 C ATOM 252 OH TYR A 17 -0.781 17.993 -5.034 1.00 0.00 O ATOM 0 H TYR A 17 -4.686 12.727 -4.847 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.503 13.964 -7.534 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.702 12.203 -5.817 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.318 12.566 -7.488 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.818 14.019 -4.119 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.664 14.815 -8.179 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.919 16.225 -3.430 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.760 17.020 -7.491 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.412 18.454 -5.816 1.00 0.00 H new ATOM 262 N HIS A 18 -5.770 11.128 -7.146 1.00 0.00 N ATOM 263 CA HIS A 18 -6.292 9.919 -7.839 1.00 0.00 C ATOM 264 C HIS A 18 -5.124 9.055 -8.318 1.00 0.00 C ATOM 265 O HIS A 18 -5.092 8.598 -9.442 1.00 0.00 O ATOM 266 CB HIS A 18 -7.154 10.355 -9.022 1.00 0.00 C ATOM 267 CG HIS A 18 -8.418 10.976 -8.491 1.00 0.00 C ATOM 268 ND1 HIS A 18 -8.724 11.528 -7.270 1.00 0.00 N flip ATOM 269 CD2 HIS A 18 -9.576 11.066 -9.248 1.00 0.00 C flip ATOM 270 CE1 HIS A 18 -10.048 11.954 -7.267 1.00 0.00 C flip ATOM 271 NE2 HIS A 18 -10.515 11.652 -8.482 1.00 0.00 N flip ATOM 0 H HIS A 18 -6.205 11.332 -6.246 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.900 9.330 -7.152 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -6.613 11.070 -9.642 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.390 9.499 -9.654 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.702 10.728 -10.266 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.583 12.427 -6.457 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.468 11.843 -8.792 1.00 0.00 H new ATOM 279 N LYS A 19 -4.171 8.824 -7.456 1.00 0.00 N ATOM 280 CA LYS A 19 -2.997 7.984 -7.827 1.00 0.00 C ATOM 281 C LYS A 19 -1.983 8.016 -6.683 1.00 0.00 C ATOM 282 O LYS A 19 -1.602 9.068 -6.212 1.00 0.00 O ATOM 283 CB LYS A 19 -2.342 8.528 -9.096 1.00 0.00 C ATOM 284 CG LYS A 19 -1.851 9.956 -8.847 1.00 0.00 C ATOM 285 CD LYS A 19 -1.612 10.655 -10.187 1.00 0.00 C ATOM 286 CE LYS A 19 -0.619 9.837 -11.017 1.00 0.00 C ATOM 287 NZ LYS A 19 -0.618 10.335 -12.422 1.00 0.00 N ATOM 0 H LYS A 19 -4.156 9.185 -6.502 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.328 6.961 -8.008 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.507 7.891 -9.388 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.056 8.516 -9.920 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.587 10.508 -8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.930 9.939 -8.264 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.553 10.762 -10.727 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.224 11.660 -10.021 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.381 9.917 -10.591 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.892 8.782 -10.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.056 9.780 -12.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.571 10.237 -12.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.338 11.337 -12.435 1.00 0.00 H new ATOM 301 N LEU A 20 -1.541 6.876 -6.232 1.00 0.00 N ATOM 302 CA LEU A 20 -0.551 6.859 -5.120 1.00 0.00 C ATOM 303 C LEU A 20 0.545 7.887 -5.412 1.00 0.00 C ATOM 304 O LEU A 20 0.874 8.126 -6.557 1.00 0.00 O ATOM 305 CB LEU A 20 0.076 5.466 -5.006 1.00 0.00 C ATOM 306 CG LEU A 20 -0.992 4.457 -4.581 1.00 0.00 C ATOM 307 CD1 LEU A 20 -0.319 3.142 -4.181 1.00 0.00 C ATOM 308 CD2 LEU A 20 -1.772 5.013 -3.387 1.00 0.00 C ATOM 0 H LEU A 20 -1.820 5.960 -6.583 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.051 7.105 -4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.509 5.172 -5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.888 5.480 -4.279 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.675 4.279 -5.411 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.079 2.422 -3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.238 2.746 -5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.364 3.321 -3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.533 4.295 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.089 5.190 -2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.250 5.951 -3.670 1.00 0.00 H new ATOM 320 N PRO A 21 1.078 8.465 -4.368 1.00 0.00 N ATOM 321 CA PRO A 21 2.145 9.472 -4.493 1.00 0.00 C ATOM 322 C PRO A 21 3.300 8.925 -5.327 1.00 0.00 C ATOM 323 O PRO A 21 3.455 7.730 -5.485 1.00 0.00 O ATOM 324 CB PRO A 21 2.601 9.735 -3.053 1.00 0.00 C ATOM 325 CG PRO A 21 1.606 9.011 -2.109 1.00 0.00 C ATOM 326 CD PRO A 21 0.670 8.161 -2.984 1.00 0.00 C ATOM 0 HA PRO A 21 1.802 10.379 -4.990 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.615 9.365 -2.898 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.617 10.805 -2.845 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.141 8.382 -1.398 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.035 9.734 -1.527 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.777 7.099 -2.763 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.375 8.419 -2.813 1.00 0.00 H new ATOM 334 N ASP A 22 4.122 9.789 -5.853 1.00 0.00 N ATOM 335 CA ASP A 22 5.274 9.313 -6.661 1.00 0.00 C ATOM 336 C ASP A 22 6.226 8.532 -5.757 1.00 0.00 C ATOM 337 O ASP A 22 7.145 7.883 -6.217 1.00 0.00 O ATOM 338 CB ASP A 22 6.009 10.512 -7.267 1.00 0.00 C ATOM 339 CG ASP A 22 5.706 10.593 -8.765 1.00 0.00 C ATOM 340 OD1 ASP A 22 5.875 9.591 -9.438 1.00 0.00 O ATOM 341 OD2 ASP A 22 5.311 11.657 -9.212 1.00 0.00 O ATOM 0 H ASP A 22 4.045 10.802 -5.758 1.00 0.00 H new ATOM 0 HA ASP A 22 4.918 8.669 -7.465 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.697 11.432 -6.772 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.083 10.413 -7.107 1.00 0.00 H new ATOM 346 N ASN A 23 6.011 8.587 -4.471 1.00 0.00 N ATOM 347 CA ASN A 23 6.900 7.847 -3.535 1.00 0.00 C ATOM 348 C ASN A 23 6.317 6.457 -3.264 1.00 0.00 C ATOM 349 O ASN A 23 6.639 5.824 -2.279 1.00 0.00 O ATOM 350 CB ASN A 23 7.014 8.619 -2.219 1.00 0.00 C ATOM 351 CG ASN A 23 5.636 8.715 -1.560 1.00 0.00 C ATOM 352 OD1 ASN A 23 4.753 7.934 -1.855 1.00 0.00 O ATOM 353 ND2 ASN A 23 5.414 9.645 -0.673 1.00 0.00 N ATOM 0 H ASN A 23 5.257 9.113 -4.029 1.00 0.00 H new ATOM 0 HA ASN A 23 7.889 7.744 -3.982 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.714 8.117 -1.551 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.410 9.617 -2.404 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.499 9.717 -0.227 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.155 10.301 -0.425 1.00 0.00 H new ATOM 360 N TYR A 24 5.462 5.976 -4.127 1.00 0.00 N ATOM 361 CA TYR A 24 4.868 4.625 -3.907 1.00 0.00 C ATOM 362 C TYR A 24 5.303 3.682 -5.027 1.00 0.00 C ATOM 363 O TYR A 24 4.624 3.528 -6.023 1.00 0.00 O ATOM 364 CB TYR A 24 3.342 4.721 -3.891 1.00 0.00 C ATOM 365 CG TYR A 24 2.860 4.756 -2.461 1.00 0.00 C ATOM 366 CD1 TYR A 24 2.654 3.562 -1.761 1.00 0.00 C ATOM 367 CD2 TYR A 24 2.628 5.985 -1.834 1.00 0.00 C ATOM 368 CE1 TYR A 24 2.216 3.597 -0.432 1.00 0.00 C ATOM 369 CE2 TYR A 24 2.191 6.020 -0.505 1.00 0.00 C ATOM 370 CZ TYR A 24 1.985 4.827 0.197 1.00 0.00 C ATOM 371 OH TYR A 24 1.556 4.864 1.508 1.00 0.00 O ATOM 0 H TYR A 24 5.150 6.457 -4.971 1.00 0.00 H new ATOM 0 HA TYR A 24 5.215 4.239 -2.949 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.017 5.618 -4.419 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.907 3.869 -4.413 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.833 2.614 -2.246 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.786 6.906 -2.375 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.056 2.676 0.108 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.013 6.969 -0.021 1.00 0.00 H new ATOM 0 HH TYR A 24 1.043 4.053 1.707 1.00 0.00 H new ATOM 381 N ILE A 25 6.425 3.038 -4.866 1.00 0.00 N ATOM 382 CA ILE A 25 6.898 2.093 -5.912 1.00 0.00 C ATOM 383 C ILE A 25 6.539 0.669 -5.486 1.00 0.00 C ATOM 384 O ILE A 25 6.911 0.220 -4.420 1.00 0.00 O ATOM 385 CB ILE A 25 8.415 2.216 -6.069 1.00 0.00 C ATOM 386 CG1 ILE A 25 9.084 2.034 -4.705 1.00 0.00 C ATOM 387 CG2 ILE A 25 8.761 3.598 -6.627 1.00 0.00 C ATOM 388 CD1 ILE A 25 10.216 1.012 -4.824 1.00 0.00 C ATOM 0 H ILE A 25 7.035 3.126 -4.053 1.00 0.00 H new ATOM 0 HA ILE A 25 6.423 2.326 -6.865 1.00 0.00 H new ATOM 0 HB ILE A 25 8.773 1.448 -6.755 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.476 2.987 -4.350 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.352 1.698 -3.971 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.842 3.685 -6.739 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.284 3.728 -7.599 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.404 4.367 -5.942 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.693 0.882 -3.852 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.811 0.057 -5.160 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.952 1.367 -5.545 1.00 0.00 H new ATOM 400 N THR A 26 5.810 -0.040 -6.301 1.00 0.00 N ATOM 401 CA THR A 26 5.425 -1.431 -5.930 1.00 0.00 C ATOM 402 C THR A 26 6.648 -2.173 -5.395 1.00 0.00 C ATOM 403 O THR A 26 7.758 -1.681 -5.445 1.00 0.00 O ATOM 404 CB THR A 26 4.887 -2.159 -7.160 1.00 0.00 C ATOM 405 OG1 THR A 26 5.964 -2.473 -8.032 1.00 0.00 O ATOM 406 CG2 THR A 26 3.880 -1.266 -7.888 1.00 0.00 C ATOM 0 H THR A 26 5.465 0.281 -7.205 1.00 0.00 H new ATOM 0 HA THR A 26 4.653 -1.399 -5.161 1.00 0.00 H new ATOM 0 HB THR A 26 4.392 -3.079 -6.849 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.620 -2.942 -8.821 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.498 -1.788 -8.765 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.053 -1.029 -7.218 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.370 -0.344 -8.200 1.00 0.00 H new ATOM 414 N LYS A 27 6.461 -3.361 -4.885 1.00 0.00 N ATOM 415 CA LYS A 27 7.632 -4.121 -4.354 1.00 0.00 C ATOM 416 C LYS A 27 8.548 -4.496 -5.513 1.00 0.00 C ATOM 417 O LYS A 27 9.748 -4.337 -5.439 1.00 0.00 O ATOM 418 CB LYS A 27 7.202 -5.402 -3.621 1.00 0.00 C ATOM 419 CG LYS A 27 5.684 -5.458 -3.441 1.00 0.00 C ATOM 420 CD LYS A 27 5.315 -6.680 -2.597 1.00 0.00 C ATOM 421 CE LYS A 27 4.130 -7.404 -3.237 1.00 0.00 C ATOM 422 NZ LYS A 27 3.803 -8.619 -2.439 1.00 0.00 N ATOM 0 H LYS A 27 5.560 -3.834 -4.813 1.00 0.00 H new ATOM 0 HA LYS A 27 8.150 -3.482 -3.639 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.536 -6.274 -4.183 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.688 -5.446 -2.646 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.331 -4.548 -2.956 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.194 -5.512 -4.413 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.168 -7.354 -2.521 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.061 -6.371 -1.583 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.266 -6.741 -3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.371 -7.683 -4.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.997 -9.113 -2.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.627 -9.253 -2.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.556 -8.340 -1.468 1.00 0.00 H new ATOM 436 N SER A 28 7.997 -4.984 -6.590 1.00 0.00 N ATOM 437 CA SER A 28 8.852 -5.353 -7.751 1.00 0.00 C ATOM 438 C SER A 28 9.694 -4.138 -8.130 1.00 0.00 C ATOM 439 O SER A 28 10.863 -4.246 -8.456 1.00 0.00 O ATOM 440 CB SER A 28 7.970 -5.757 -8.932 1.00 0.00 C ATOM 441 OG SER A 28 7.875 -7.174 -8.985 1.00 0.00 O ATOM 0 H SER A 28 6.997 -5.142 -6.715 1.00 0.00 H new ATOM 0 HA SER A 28 9.497 -6.192 -7.492 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.978 -5.318 -8.826 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.390 -5.374 -9.862 1.00 0.00 H new ATOM 0 HG SER A 28 7.308 -7.436 -9.741 1.00 0.00 H new ATOM 447 N GLU A 29 9.106 -2.975 -8.075 1.00 0.00 N ATOM 448 CA GLU A 29 9.864 -1.744 -8.415 1.00 0.00 C ATOM 449 C GLU A 29 11.057 -1.625 -7.472 1.00 0.00 C ATOM 450 O GLU A 29 12.138 -1.239 -7.871 1.00 0.00 O ATOM 451 CB GLU A 29 8.955 -0.524 -8.257 1.00 0.00 C ATOM 452 CG GLU A 29 8.181 -0.290 -9.557 1.00 0.00 C ATOM 453 CD GLU A 29 7.528 1.093 -9.521 1.00 0.00 C ATOM 454 OE1 GLU A 29 6.411 1.187 -9.040 1.00 0.00 O ATOM 455 OE2 GLU A 29 8.158 2.035 -9.975 1.00 0.00 O ATOM 0 H GLU A 29 8.133 -2.826 -7.809 1.00 0.00 H new ATOM 0 HA GLU A 29 10.214 -1.795 -9.446 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.261 -0.679 -7.431 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.550 0.356 -8.012 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.854 -0.364 -10.411 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.420 -1.060 -9.683 1.00 0.00 H new ATOM 462 N ALA A 30 10.882 -1.969 -6.224 1.00 0.00 N ATOM 463 CA ALA A 30 12.024 -1.885 -5.277 1.00 0.00 C ATOM 464 C ALA A 30 13.064 -2.928 -5.677 1.00 0.00 C ATOM 465 O ALA A 30 14.254 -2.688 -5.626 1.00 0.00 O ATOM 466 CB ALA A 30 11.538 -2.161 -3.852 1.00 0.00 C ATOM 0 H ALA A 30 10.004 -2.301 -5.825 1.00 0.00 H new ATOM 0 HA ALA A 30 12.463 -0.888 -5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.379 -2.098 -3.162 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.785 -1.423 -3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.102 -3.159 -3.803 1.00 0.00 H new ATOM 472 N GLN A 31 12.624 -4.084 -6.091 1.00 0.00 N ATOM 473 CA GLN A 31 13.584 -5.137 -6.511 1.00 0.00 C ATOM 474 C GLN A 31 14.403 -4.601 -7.681 1.00 0.00 C ATOM 475 O GLN A 31 15.576 -4.888 -7.816 1.00 0.00 O ATOM 476 CB GLN A 31 12.820 -6.390 -6.945 1.00 0.00 C ATOM 477 CG GLN A 31 12.679 -7.339 -5.754 1.00 0.00 C ATOM 478 CD GLN A 31 12.146 -8.690 -6.236 1.00 0.00 C ATOM 479 OE1 GLN A 31 11.189 -8.748 -6.980 1.00 0.00 O ATOM 480 NE2 GLN A 31 12.731 -9.788 -5.838 1.00 0.00 N ATOM 0 H GLN A 31 11.640 -4.343 -6.156 1.00 0.00 H new ATOM 0 HA GLN A 31 14.241 -5.398 -5.682 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.835 -6.116 -7.324 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.348 -6.887 -7.759 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.644 -7.471 -5.265 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.002 -6.912 -5.014 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.535 -9.739 -5.213 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.383 -10.694 -6.153 1.00 0.00 H new ATOM 489 N ALA A 32 13.794 -3.817 -8.530 1.00 0.00 N ATOM 490 CA ALA A 32 14.539 -3.257 -9.684 1.00 0.00 C ATOM 491 C ALA A 32 15.733 -2.457 -9.174 1.00 0.00 C ATOM 492 O ALA A 32 16.785 -2.422 -9.781 1.00 0.00 O ATOM 493 CB ALA A 32 13.617 -2.348 -10.499 1.00 0.00 C ATOM 0 H ALA A 32 12.813 -3.543 -8.471 1.00 0.00 H new ATOM 0 HA ALA A 32 14.892 -4.069 -10.319 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.167 -1.938 -11.346 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.767 -2.925 -10.863 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.260 -1.533 -9.869 1.00 0.00 H new ATOM 499 N LEU A 33 15.567 -1.813 -8.061 1.00 0.00 N ATOM 500 CA LEU A 33 16.671 -0.998 -7.482 1.00 0.00 C ATOM 501 C LEU A 33 17.645 -1.893 -6.718 1.00 0.00 C ATOM 502 O LEU A 33 18.768 -1.518 -6.444 1.00 0.00 O ATOM 503 CB LEU A 33 16.074 0.039 -6.545 1.00 0.00 C ATOM 504 CG LEU A 33 15.244 1.009 -7.378 1.00 0.00 C ATOM 505 CD1 LEU A 33 13.762 0.670 -7.231 1.00 0.00 C ATOM 506 CD2 LEU A 33 15.512 2.433 -6.902 1.00 0.00 C ATOM 0 H LEU A 33 14.704 -1.814 -7.517 1.00 0.00 H new ATOM 0 HA LEU A 33 17.218 -0.502 -8.284 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.452 -0.443 -5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.863 0.572 -6.015 1.00 0.00 H new ATOM 0 HG LEU A 33 15.519 0.926 -8.429 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.169 1.364 -7.827 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.586 -0.348 -7.578 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.472 0.752 -6.183 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.921 3.132 -7.494 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.236 2.524 -5.851 1.00 0.00 H new ATOM 0 HD23 LEU A 33 16.571 2.663 -7.020 1.00 0.00 H new ATOM 518 N GLY A 34 17.222 -3.072 -6.374 1.00 0.00 N ATOM 519 CA GLY A 34 18.118 -4.000 -5.626 1.00 0.00 C ATOM 520 C GLY A 34 17.537 -4.264 -4.235 1.00 0.00 C ATOM 521 O GLY A 34 18.257 -4.392 -3.265 1.00 0.00 O ATOM 0 H GLY A 34 16.292 -3.438 -6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 34 18.224 -4.938 -6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 34 19.115 -3.568 -5.539 1.00 0.00 H new ATOM 525 N TRP A 35 16.239 -4.346 -4.129 1.00 0.00 N ATOM 526 CA TRP A 35 15.609 -4.602 -2.802 1.00 0.00 C ATOM 527 C TRP A 35 15.232 -6.083 -2.703 1.00 0.00 C ATOM 528 O TRP A 35 14.485 -6.599 -3.510 1.00 0.00 O ATOM 529 CB TRP A 35 14.357 -3.720 -2.664 1.00 0.00 C ATOM 530 CG TRP A 35 13.385 -4.320 -1.693 1.00 0.00 C ATOM 531 CD1 TRP A 35 13.523 -4.319 -0.347 1.00 0.00 C ATOM 532 CD2 TRP A 35 12.128 -5.002 -1.975 1.00 0.00 C ATOM 533 NE1 TRP A 35 12.428 -4.953 0.214 1.00 0.00 N ATOM 534 CE2 TRP A 35 11.543 -5.393 -0.748 1.00 0.00 C ATOM 535 CE3 TRP A 35 11.447 -5.316 -3.165 1.00 0.00 C ATOM 536 CZ2 TRP A 35 10.322 -6.071 -0.705 1.00 0.00 C ATOM 537 CZ3 TRP A 35 10.220 -5.997 -3.123 1.00 0.00 C ATOM 538 CH2 TRP A 35 9.660 -6.373 -1.896 1.00 0.00 C ATOM 0 H TRP A 35 15.586 -4.247 -4.906 1.00 0.00 H new ATOM 0 HA TRP A 35 16.305 -4.360 -1.999 1.00 0.00 H new ATOM 0 HB2 TRP A 35 14.644 -2.724 -2.328 1.00 0.00 H new ATOM 0 HB3 TRP A 35 13.880 -3.603 -3.637 1.00 0.00 H new ATOM 0 HD1 TRP A 35 14.351 -3.893 0.200 1.00 0.00 H new ATOM 0 HE1 TRP A 35 12.292 -5.079 1.217 1.00 0.00 H new ATOM 0 HE3 TRP A 35 11.871 -5.031 -4.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 9.893 -6.359 0.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 9.705 -6.232 -4.043 1.00 0.00 H new ATOM 0 HH2 TRP A 35 8.716 -6.897 -1.871 1.00 0.00 H new ATOM 549 N VAL A 36 15.739 -6.769 -1.715 1.00 0.00 N ATOM 550 CA VAL A 36 15.404 -8.211 -1.565 1.00 0.00 C ATOM 551 C VAL A 36 14.154 -8.348 -0.695 1.00 0.00 C ATOM 552 O VAL A 36 14.179 -8.087 0.491 1.00 0.00 O ATOM 553 CB VAL A 36 16.570 -8.943 -0.900 1.00 0.00 C ATOM 554 CG1 VAL A 36 16.269 -10.442 -0.852 1.00 0.00 C ATOM 555 CG2 VAL A 36 17.849 -8.706 -1.709 1.00 0.00 C ATOM 0 H VAL A 36 16.370 -6.393 -1.007 1.00 0.00 H new ATOM 0 HA VAL A 36 15.219 -8.647 -2.547 1.00 0.00 H new ATOM 0 HB VAL A 36 16.705 -8.566 0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 36 17.100 -10.965 -0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 36 15.358 -10.612 -0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 36 16.134 -10.819 -1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 36 18.681 -9.228 -1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.714 -9.084 -2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 36 18.064 -7.638 -1.745 1.00 0.00 H new ATOM 565 N ALA A 37 13.058 -8.752 -1.276 1.00 0.00 N ATOM 566 CA ALA A 37 11.806 -8.900 -0.483 1.00 0.00 C ATOM 567 C ALA A 37 12.025 -9.925 0.631 1.00 0.00 C ATOM 568 O ALA A 37 11.242 -10.028 1.555 1.00 0.00 O ATOM 569 CB ALA A 37 10.677 -9.375 -1.400 1.00 0.00 C ATOM 0 H ALA A 37 12.976 -8.986 -2.265 1.00 0.00 H new ATOM 0 HA ALA A 37 11.538 -7.939 -0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.760 -9.484 -0.821 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.521 -8.644 -2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.945 -10.336 -1.839 1.00 0.00 H new ATOM 575 N SER A 38 13.082 -10.685 0.552 1.00 0.00 N ATOM 576 CA SER A 38 13.348 -11.702 1.608 1.00 0.00 C ATOM 577 C SER A 38 13.937 -11.016 2.843 1.00 0.00 C ATOM 578 O SER A 38 13.350 -11.022 3.906 1.00 0.00 O ATOM 579 CB SER A 38 14.341 -12.738 1.080 1.00 0.00 C ATOM 580 OG SER A 38 13.909 -14.039 1.458 1.00 0.00 O ATOM 0 H SER A 38 13.773 -10.646 -0.198 1.00 0.00 H new ATOM 0 HA SER A 38 12.415 -12.196 1.878 1.00 0.00 H new ATOM 0 HB2 SER A 38 14.415 -12.668 -0.005 1.00 0.00 H new ATOM 0 HB3 SER A 38 15.336 -12.542 1.480 1.00 0.00 H new ATOM 0 HG SER A 38 14.543 -14.705 1.119 1.00 0.00 H new ATOM 586 N LYS A 39 15.093 -10.426 2.710 1.00 0.00 N ATOM 587 CA LYS A 39 15.718 -9.742 3.878 1.00 0.00 C ATOM 588 C LYS A 39 15.088 -8.360 4.063 1.00 0.00 C ATOM 589 O LYS A 39 15.455 -7.616 4.953 1.00 0.00 O ATOM 590 CB LYS A 39 17.221 -9.588 3.633 1.00 0.00 C ATOM 591 CG LYS A 39 17.871 -10.971 3.560 1.00 0.00 C ATOM 592 CD LYS A 39 19.307 -10.833 3.054 1.00 0.00 C ATOM 593 CE LYS A 39 19.874 -12.219 2.740 1.00 0.00 C ATOM 594 NZ LYS A 39 19.676 -12.518 1.294 1.00 0.00 N ATOM 0 H LYS A 39 15.631 -10.388 1.845 1.00 0.00 H new ATOM 0 HA LYS A 39 15.553 -10.337 4.776 1.00 0.00 H new ATOM 0 HB2 LYS A 39 17.395 -9.043 2.705 1.00 0.00 H new ATOM 0 HB3 LYS A 39 17.673 -9.004 4.435 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.864 -11.440 4.544 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.300 -11.618 2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 39 19.331 -10.208 2.161 1.00 0.00 H new ATOM 0 HD3 LYS A 39 19.923 -10.338 3.805 1.00 0.00 H new ATOM 0 HE2 LYS A 39 20.935 -12.255 2.988 1.00 0.00 H new ATOM 0 HE3 LYS A 39 19.378 -12.974 3.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.061 -13.460 1.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 18.660 -12.500 1.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 20.169 -11.803 0.721 1.00 0.00 H new ATOM 608 N GLY A 40 14.146 -8.007 3.233 1.00 0.00 N ATOM 609 CA GLY A 40 13.498 -6.671 3.366 1.00 0.00 C ATOM 610 C GLY A 40 14.570 -5.606 3.604 1.00 0.00 C ATOM 611 O GLY A 40 14.853 -5.234 4.726 1.00 0.00 O ATOM 0 H GLY A 40 13.797 -8.585 2.469 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.932 -6.438 2.464 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.789 -6.680 4.194 1.00 0.00 H new ATOM 615 N ASN A 41 15.171 -5.112 2.556 1.00 0.00 N ATOM 616 CA ASN A 41 16.226 -4.074 2.721 1.00 0.00 C ATOM 617 C ASN A 41 15.836 -2.820 1.936 1.00 0.00 C ATOM 618 O ASN A 41 16.646 -2.229 1.250 1.00 0.00 O ATOM 619 CB ASN A 41 17.556 -4.611 2.190 1.00 0.00 C ATOM 620 CG ASN A 41 17.426 -4.908 0.696 1.00 0.00 C ATOM 621 OD1 ASN A 41 16.454 -4.529 0.073 1.00 0.00 O ATOM 622 ND2 ASN A 41 18.370 -5.573 0.090 1.00 0.00 N ATOM 0 H ASN A 41 14.976 -5.383 1.592 1.00 0.00 H new ATOM 0 HA ASN A 41 16.328 -3.825 3.777 1.00 0.00 H new ATOM 0 HB2 ASN A 41 18.348 -3.882 2.359 1.00 0.00 H new ATOM 0 HB3 ASN A 41 17.836 -5.516 2.729 1.00 0.00 H new ATOM 0 HD21 ASN A 41 18.292 -5.775 -0.907 1.00 0.00 H new ATOM 0 HD22 ASN A 41 19.186 -5.891 0.613 1.00 0.00 H new ATOM 629 N LEU A 42 14.602 -2.408 2.031 1.00 0.00 N ATOM 630 CA LEU A 42 14.163 -1.192 1.292 1.00 0.00 C ATOM 631 C LEU A 42 14.946 0.019 1.794 1.00 0.00 C ATOM 632 O LEU A 42 15.440 0.817 1.024 1.00 0.00 O ATOM 633 CB LEU A 42 12.670 -0.964 1.534 1.00 0.00 C ATOM 634 CG LEU A 42 12.002 -0.490 0.241 1.00 0.00 C ATOM 635 CD1 LEU A 42 12.237 -1.513 -0.870 1.00 0.00 C ATOM 636 CD2 LEU A 42 10.498 -0.341 0.475 1.00 0.00 C ATOM 0 H LEU A 42 13.879 -2.861 2.589 1.00 0.00 H new ATOM 0 HA LEU A 42 14.346 -1.328 0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.203 -1.887 1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.529 -0.222 2.320 1.00 0.00 H new ATOM 0 HG LEU A 42 12.430 0.468 -0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 42 11.759 -1.170 -1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.308 -1.627 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.812 -2.473 -0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.019 -0.003 -0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.079 -1.303 0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.323 0.389 1.265 1.00 0.00 H new ATOM 648 N ALA A 43 15.060 0.163 3.084 1.00 0.00 N ATOM 649 CA ALA A 43 15.810 1.324 3.643 1.00 0.00 C ATOM 650 C ALA A 43 17.273 1.265 3.192 1.00 0.00 C ATOM 651 O ALA A 43 18.021 2.206 3.363 1.00 0.00 O ATOM 652 CB ALA A 43 15.745 1.283 5.170 1.00 0.00 C ATOM 0 H ALA A 43 14.666 -0.473 3.777 1.00 0.00 H new ATOM 0 HA ALA A 43 15.361 2.249 3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.293 2.131 5.580 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.705 1.333 5.491 1.00 0.00 H new ATOM 0 HB3 ALA A 43 16.191 0.355 5.528 1.00 0.00 H new ATOM 658 N ASP A 44 17.690 0.166 2.625 1.00 0.00 N ATOM 659 CA ASP A 44 19.108 0.052 2.175 1.00 0.00 C ATOM 660 C ASP A 44 19.220 0.433 0.694 1.00 0.00 C ATOM 661 O ASP A 44 20.039 1.246 0.316 1.00 0.00 O ATOM 662 CB ASP A 44 19.588 -1.387 2.369 1.00 0.00 C ATOM 663 CG ASP A 44 20.971 -1.381 3.022 1.00 0.00 C ATOM 664 OD1 ASP A 44 21.085 -0.854 4.118 1.00 0.00 O ATOM 665 OD2 ASP A 44 21.893 -1.903 2.417 1.00 0.00 O ATOM 0 H ASP A 44 17.112 -0.657 2.454 1.00 0.00 H new ATOM 0 HA ASP A 44 19.727 0.728 2.765 1.00 0.00 H new ATOM 0 HB2 ASP A 44 18.882 -1.936 2.993 1.00 0.00 H new ATOM 0 HB3 ASP A 44 19.630 -1.900 1.408 1.00 0.00 H new ATOM 670 N VAL A 45 18.411 -0.153 -0.147 1.00 0.00 N ATOM 671 CA VAL A 45 18.484 0.173 -1.600 1.00 0.00 C ATOM 672 C VAL A 45 17.517 1.315 -1.926 1.00 0.00 C ATOM 673 O VAL A 45 17.871 2.267 -2.592 1.00 0.00 O ATOM 674 CB VAL A 45 18.108 -1.062 -2.421 1.00 0.00 C ATOM 675 CG1 VAL A 45 19.060 -2.210 -2.082 1.00 0.00 C ATOM 676 CG2 VAL A 45 16.672 -1.478 -2.093 1.00 0.00 C ATOM 0 H VAL A 45 17.704 -0.842 0.109 1.00 0.00 H new ATOM 0 HA VAL A 45 19.500 0.480 -1.847 1.00 0.00 H new ATOM 0 HB VAL A 45 18.184 -0.827 -3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 45 18.792 -3.090 -2.667 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.083 -1.916 -2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 45 18.985 -2.444 -1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 45 16.405 -2.358 -2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 45 16.594 -1.712 -1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 45 15.992 -0.661 -2.335 1.00 0.00 H new ATOM 686 N ALA A 46 16.301 1.231 -1.461 1.00 0.00 N ATOM 687 CA ALA A 46 15.318 2.315 -1.746 1.00 0.00 C ATOM 688 C ALA A 46 14.855 2.944 -0.426 1.00 0.00 C ATOM 689 O ALA A 46 13.766 2.670 0.039 1.00 0.00 O ATOM 690 CB ALA A 46 14.113 1.730 -2.486 1.00 0.00 C ATOM 0 H ALA A 46 15.945 0.459 -0.896 1.00 0.00 H new ATOM 0 HA ALA A 46 15.787 3.078 -2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.394 2.522 -2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.444 1.284 -3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.642 0.966 -1.867 1.00 0.00 H new ATOM 696 N PRO A 47 15.703 3.767 0.140 1.00 0.00 N ATOM 697 CA PRO A 47 15.407 4.448 1.414 1.00 0.00 C ATOM 698 C PRO A 47 14.207 5.387 1.256 1.00 0.00 C ATOM 699 O PRO A 47 13.908 5.852 0.174 1.00 0.00 O ATOM 700 CB PRO A 47 16.676 5.252 1.733 1.00 0.00 C ATOM 701 CG PRO A 47 17.672 5.044 0.563 1.00 0.00 C ATOM 702 CD PRO A 47 17.021 4.081 -0.441 1.00 0.00 C ATOM 0 HA PRO A 47 15.153 3.744 2.206 1.00 0.00 H new ATOM 0 HB2 PRO A 47 16.439 6.310 1.850 1.00 0.00 H new ATOM 0 HB3 PRO A 47 17.115 4.917 2.673 1.00 0.00 H new ATOM 0 HG2 PRO A 47 17.904 5.996 0.085 1.00 0.00 H new ATOM 0 HG3 PRO A 47 18.613 4.634 0.930 1.00 0.00 H new ATOM 0 HD2 PRO A 47 16.921 4.542 -1.424 1.00 0.00 H new ATOM 0 HD3 PRO A 47 17.621 3.180 -0.571 1.00 0.00 H new ATOM 710 N GLY A 48 13.521 5.668 2.331 1.00 0.00 N ATOM 711 CA GLY A 48 12.343 6.578 2.250 1.00 0.00 C ATOM 712 C GLY A 48 11.512 6.238 1.013 1.00 0.00 C ATOM 713 O GLY A 48 11.469 6.987 0.057 1.00 0.00 O ATOM 0 H GLY A 48 13.726 5.306 3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.733 6.479 3.148 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.675 7.615 2.203 1.00 0.00 H new ATOM 717 N LYS A 49 10.851 5.113 1.022 1.00 0.00 N ATOM 718 CA LYS A 49 10.024 4.728 -0.154 1.00 0.00 C ATOM 719 C LYS A 49 8.741 4.049 0.327 1.00 0.00 C ATOM 720 O LYS A 49 8.659 3.574 1.443 1.00 0.00 O ATOM 721 CB LYS A 49 10.815 3.761 -1.037 1.00 0.00 C ATOM 722 CG LYS A 49 11.927 4.526 -1.759 1.00 0.00 C ATOM 723 CD LYS A 49 11.474 4.868 -3.180 1.00 0.00 C ATOM 724 CE LYS A 49 10.931 6.298 -3.212 1.00 0.00 C ATOM 725 NZ LYS A 49 10.723 6.718 -4.627 1.00 0.00 N ATOM 0 H LYS A 49 10.848 4.445 1.793 1.00 0.00 H new ATOM 0 HA LYS A 49 9.769 5.619 -0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.242 2.963 -0.430 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.153 3.289 -1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.168 5.438 -1.214 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.835 3.924 -1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.309 4.769 -3.873 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.705 4.168 -3.506 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.991 6.354 -2.663 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.629 6.975 -2.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.354 7.690 -4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.628 6.679 -5.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.041 6.078 -5.082 1.00 0.00 H new ATOM 739 N SER A 50 7.739 3.999 -0.505 1.00 0.00 N ATOM 740 CA SER A 50 6.461 3.354 -0.096 1.00 0.00 C ATOM 741 C SER A 50 6.104 2.254 -1.097 1.00 0.00 C ATOM 742 O SER A 50 6.108 2.464 -2.292 1.00 0.00 O ATOM 743 CB SER A 50 5.348 4.400 -0.070 1.00 0.00 C ATOM 744 OG SER A 50 5.843 5.598 0.514 1.00 0.00 O ATOM 0 H SER A 50 7.750 4.378 -1.452 1.00 0.00 H new ATOM 0 HA SER A 50 6.574 2.920 0.897 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.993 4.595 -1.082 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.497 4.028 0.501 1.00 0.00 H new ATOM 0 HG SER A 50 6.323 6.118 -0.164 1.00 0.00 H new ATOM 750 N ILE A 51 5.793 1.083 -0.617 1.00 0.00 N ATOM 751 CA ILE A 51 5.431 -0.027 -1.543 1.00 0.00 C ATOM 752 C ILE A 51 3.913 -0.053 -1.726 1.00 0.00 C ATOM 753 O ILE A 51 3.184 -0.481 -0.854 1.00 0.00 O ATOM 754 CB ILE A 51 5.896 -1.357 -0.947 1.00 0.00 C ATOM 755 CG1 ILE A 51 7.397 -1.286 -0.645 1.00 0.00 C ATOM 756 CG2 ILE A 51 5.630 -2.483 -1.945 1.00 0.00 C ATOM 757 CD1 ILE A 51 8.187 -1.329 -1.955 1.00 0.00 C ATOM 0 H ILE A 51 5.774 0.846 0.375 1.00 0.00 H new ATOM 0 HA ILE A 51 5.914 0.126 -2.508 1.00 0.00 H new ATOM 0 HB ILE A 51 5.349 -1.552 -0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.626 -0.370 -0.101 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.689 -2.118 -0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.961 -3.431 -1.521 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.563 -2.535 -2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.176 -2.288 -2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.254 -1.278 -1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.967 -2.258 -2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 51 7.903 -0.482 -2.579 1.00 0.00 H new ATOM 769 N GLY A 52 3.428 0.404 -2.848 1.00 0.00 N ATOM 770 CA GLY A 52 1.954 0.404 -3.069 1.00 0.00 C ATOM 771 C GLY A 52 1.658 0.458 -4.567 1.00 0.00 C ATOM 772 O GLY A 52 2.530 0.709 -5.375 1.00 0.00 O ATOM 0 H GLY A 52 3.985 0.776 -3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.511 -0.492 -2.633 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.501 1.260 -2.568 1.00 0.00 H new ATOM 776 N GLY A 53 0.430 0.228 -4.944 1.00 0.00 N ATOM 777 CA GLY A 53 0.075 0.269 -6.391 1.00 0.00 C ATOM 778 C GLY A 53 -0.085 -1.157 -6.922 1.00 0.00 C ATOM 779 O GLY A 53 -0.643 -1.376 -7.978 1.00 0.00 O ATOM 0 H GLY A 53 -0.342 0.014 -4.313 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.851 0.826 -6.533 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.851 0.791 -6.951 1.00 0.00 H new ATOM 783 N ASP A 54 0.398 -2.130 -6.199 1.00 0.00 N ATOM 784 CA ASP A 54 0.269 -3.538 -6.667 1.00 0.00 C ATOM 785 C ASP A 54 -1.138 -4.049 -6.353 1.00 0.00 C ATOM 786 O ASP A 54 -1.751 -3.655 -5.379 1.00 0.00 O ATOM 787 CB ASP A 54 1.301 -4.414 -5.953 1.00 0.00 C ATOM 788 CG ASP A 54 2.499 -4.652 -6.874 1.00 0.00 C ATOM 789 OD1 ASP A 54 2.326 -4.546 -8.078 1.00 0.00 O ATOM 790 OD2 ASP A 54 3.568 -4.934 -6.361 1.00 0.00 O ATOM 0 H ASP A 54 0.876 -2.011 -5.306 1.00 0.00 H new ATOM 0 HA ASP A 54 0.442 -3.580 -7.742 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.628 -3.931 -5.032 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.852 -5.366 -5.671 1.00 0.00 H new ATOM 795 N ILE A 55 -1.656 -4.925 -7.169 1.00 0.00 N ATOM 796 CA ILE A 55 -3.024 -5.461 -6.917 1.00 0.00 C ATOM 797 C ILE A 55 -3.112 -5.971 -5.476 1.00 0.00 C ATOM 798 O ILE A 55 -2.113 -6.125 -4.801 1.00 0.00 O ATOM 799 CB ILE A 55 -3.307 -6.610 -7.886 1.00 0.00 C ATOM 800 CG1 ILE A 55 -3.335 -6.071 -9.318 1.00 0.00 C ATOM 801 CG2 ILE A 55 -4.662 -7.238 -7.555 1.00 0.00 C ATOM 802 CD1 ILE A 55 -3.890 -7.143 -10.257 1.00 0.00 C ATOM 0 H ILE A 55 -1.192 -5.293 -7.999 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.760 -4.671 -7.068 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.525 -7.364 -7.793 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.952 -5.174 -9.368 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.331 -5.785 -9.630 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.862 -8.057 -8.246 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.646 -7.621 -6.534 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.445 -6.485 -7.648 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.910 -6.759 -11.277 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.255 -8.028 -10.215 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.902 -7.408 -9.949 1.00 0.00 H new ATOM 814 N PHE A 56 -4.298 -6.231 -5.000 1.00 0.00 N ATOM 815 CA PHE A 56 -4.448 -6.729 -3.603 1.00 0.00 C ATOM 816 C PHE A 56 -4.812 -8.217 -3.628 1.00 0.00 C ATOM 817 O PHE A 56 -5.511 -8.683 -4.505 1.00 0.00 O ATOM 818 CB PHE A 56 -5.556 -5.935 -2.899 1.00 0.00 C ATOM 819 CG PHE A 56 -5.994 -6.663 -1.648 1.00 0.00 C ATOM 820 CD1 PHE A 56 -5.044 -7.056 -0.698 1.00 0.00 C ATOM 821 CD2 PHE A 56 -7.349 -6.943 -1.442 1.00 0.00 C ATOM 822 CE1 PHE A 56 -5.451 -7.731 0.459 1.00 0.00 C ATOM 823 CE2 PHE A 56 -7.756 -7.619 -0.285 1.00 0.00 C ATOM 824 CZ PHE A 56 -6.807 -8.012 0.665 1.00 0.00 C ATOM 0 H PHE A 56 -5.170 -6.120 -5.517 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.510 -6.598 -3.063 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.195 -4.939 -2.643 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.405 -5.804 -3.570 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.998 -6.839 -0.857 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.081 -6.638 -2.175 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.719 -8.035 1.193 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.802 -7.837 -0.126 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.121 -8.532 1.558 1.00 0.00 H new ATOM 834 N SER A 57 -4.343 -8.964 -2.665 1.00 0.00 N ATOM 835 CA SER A 57 -4.661 -10.419 -2.626 1.00 0.00 C ATOM 836 C SER A 57 -6.148 -10.627 -2.895 1.00 0.00 C ATOM 837 O SER A 57 -6.570 -10.817 -4.019 1.00 0.00 O ATOM 838 CB SER A 57 -4.310 -10.977 -1.246 1.00 0.00 C ATOM 839 OG SER A 57 -4.236 -9.908 -0.311 1.00 0.00 O ATOM 0 H SER A 57 -3.753 -8.629 -1.904 1.00 0.00 H new ATOM 0 HA SER A 57 -4.081 -10.938 -3.389 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.063 -11.699 -0.931 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.358 -11.506 -1.287 1.00 0.00 H new ATOM 0 HG SER A 57 -4.937 -9.252 -0.508 1.00 0.00 H new ATOM 845 N ASN A 58 -6.940 -10.595 -1.867 1.00 0.00 N ATOM 846 CA ASN A 58 -8.409 -10.793 -2.039 1.00 0.00 C ATOM 847 C ASN A 58 -8.703 -12.283 -2.212 1.00 0.00 C ATOM 848 O ASN A 58 -9.735 -12.667 -2.725 1.00 0.00 O ATOM 849 CB ASN A 58 -8.890 -10.030 -3.274 1.00 0.00 C ATOM 850 CG ASN A 58 -10.403 -9.817 -3.187 1.00 0.00 C ATOM 851 OD1 ASN A 58 -10.866 -8.636 -2.877 1.00 0.00 O flip ATOM 852 ND2 ASN A 58 -11.171 -10.733 -3.401 1.00 0.00 N flip ATOM 0 H ASN A 58 -6.636 -10.439 -0.906 1.00 0.00 H new ATOM 0 HA ASN A 58 -8.931 -10.418 -1.159 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -8.380 -9.069 -3.342 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.642 -10.587 -4.178 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.810 -11.656 -3.643 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.177 -10.580 -3.339 1.00 0.00 H new ATOM 859 N ARG A 59 -7.802 -13.127 -1.786 1.00 0.00 N ATOM 860 CA ARG A 59 -8.030 -14.593 -1.925 1.00 0.00 C ATOM 861 C ARG A 59 -9.344 -14.970 -1.239 1.00 0.00 C ATOM 862 O ARG A 59 -10.338 -15.234 -1.886 1.00 0.00 O ATOM 863 CB ARG A 59 -6.874 -15.351 -1.268 1.00 0.00 C ATOM 864 CG ARG A 59 -5.645 -15.298 -2.179 1.00 0.00 C ATOM 865 CD ARG A 59 -4.438 -14.799 -1.380 1.00 0.00 C ATOM 866 NE ARG A 59 -3.191 -15.020 -2.168 1.00 0.00 N ATOM 867 CZ ARG A 59 -3.058 -16.093 -2.900 1.00 0.00 C ATOM 868 NH1 ARG A 59 -2.967 -17.264 -2.330 1.00 0.00 N ATOM 869 NH2 ARG A 59 -3.017 -15.995 -4.200 1.00 0.00 N ATOM 0 H ARG A 59 -6.919 -12.864 -1.348 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.084 -14.856 -2.981 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.641 -14.910 -0.299 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.161 -16.387 -1.087 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.440 -16.287 -2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.834 -14.636 -3.024 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.553 -13.739 -1.152 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.377 -15.326 -0.428 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.440 -14.331 -2.135 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.000 -17.340 -1.313 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.863 -18.103 -2.901 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.089 -15.080 -4.645 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.913 -16.833 -4.772 1.00 0.00 H new ATOM 883 N GLU A 60 -9.358 -14.994 0.065 1.00 0.00 N ATOM 884 CA GLU A 60 -10.610 -15.353 0.789 1.00 0.00 C ATOM 885 C GLU A 60 -11.691 -14.317 0.478 1.00 0.00 C ATOM 886 O GLU A 60 -12.858 -14.637 0.365 1.00 0.00 O ATOM 887 CB GLU A 60 -10.339 -15.371 2.296 1.00 0.00 C ATOM 888 CG GLU A 60 -9.361 -16.501 2.626 1.00 0.00 C ATOM 889 CD GLU A 60 -9.670 -17.051 4.020 1.00 0.00 C ATOM 890 OE1 GLU A 60 -10.524 -16.486 4.683 1.00 0.00 O ATOM 891 OE2 GLU A 60 -9.045 -18.028 4.401 1.00 0.00 O ATOM 0 H GLU A 60 -8.558 -14.781 0.660 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.947 -16.339 0.468 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.925 -14.414 2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.272 -15.512 2.842 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.442 -17.295 1.884 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.336 -16.132 2.588 1.00 0.00 H new ATOM 898 N GLY A 61 -11.313 -13.076 0.338 1.00 0.00 N ATOM 899 CA GLY A 61 -12.319 -12.020 0.033 1.00 0.00 C ATOM 900 C GLY A 61 -12.650 -11.246 1.309 1.00 0.00 C ATOM 901 O GLY A 61 -13.683 -11.446 1.918 1.00 0.00 O ATOM 0 H GLY A 61 -10.351 -12.748 0.422 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.930 -11.341 -0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.223 -12.471 -0.376 1.00 0.00 H new ATOM 905 N LYS A 62 -11.783 -10.362 1.719 1.00 0.00 N ATOM 906 CA LYS A 62 -12.051 -9.575 2.955 1.00 0.00 C ATOM 907 C LYS A 62 -12.523 -8.170 2.574 1.00 0.00 C ATOM 908 O LYS A 62 -12.965 -7.403 3.407 1.00 0.00 O ATOM 909 CB LYS A 62 -10.771 -9.479 3.786 1.00 0.00 C ATOM 910 CG LYS A 62 -10.405 -10.866 4.319 1.00 0.00 C ATOM 911 CD LYS A 62 -11.380 -11.256 5.432 1.00 0.00 C ATOM 912 CE LYS A 62 -11.582 -12.772 5.428 1.00 0.00 C ATOM 913 NZ LYS A 62 -11.613 -13.271 6.831 1.00 0.00 N ATOM 0 H LYS A 62 -10.901 -10.151 1.252 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.826 -10.070 3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.958 -9.085 3.177 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.913 -8.785 4.614 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.443 -11.599 3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.384 -10.864 4.699 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.993 -10.933 6.398 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.335 -10.751 5.286 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.513 -13.025 4.920 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.776 -13.256 4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.750 -14.302 6.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.714 -13.042 7.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.397 -12.818 7.343 1.00 0.00 H new ATOM 927 N LEU A 63 -12.442 -7.833 1.318 1.00 0.00 N ATOM 928 CA LEU A 63 -12.891 -6.484 0.874 1.00 0.00 C ATOM 929 C LEU A 63 -14.232 -6.620 0.147 1.00 0.00 C ATOM 930 O LEU A 63 -14.555 -7.677 -0.357 1.00 0.00 O ATOM 931 CB LEU A 63 -11.861 -5.889 -0.090 1.00 0.00 C ATOM 932 CG LEU A 63 -10.586 -5.523 0.670 1.00 0.00 C ATOM 933 CD1 LEU A 63 -9.437 -5.369 -0.326 1.00 0.00 C ATOM 934 CD2 LEU A 63 -10.791 -4.200 1.412 1.00 0.00 C ATOM 0 H LEU A 63 -12.083 -8.435 0.577 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.997 -5.832 1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.631 -6.606 -0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.273 -5.004 -0.574 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.352 -6.308 1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.524 -5.108 0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.289 -6.308 -0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.677 -4.581 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.881 -3.941 1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.023 -3.413 0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.616 -4.302 2.117 1.00 0.00 H new ATOM 946 N PRO A 64 -14.971 -5.541 0.106 1.00 0.00 N ATOM 947 CA PRO A 64 -16.280 -5.517 -0.567 1.00 0.00 C ATOM 948 C PRO A 64 -16.098 -5.818 -2.056 1.00 0.00 C ATOM 949 O PRO A 64 -15.999 -4.925 -2.872 1.00 0.00 O ATOM 950 CB PRO A 64 -16.802 -4.088 -0.364 1.00 0.00 C ATOM 951 CG PRO A 64 -15.732 -3.308 0.444 1.00 0.00 C ATOM 952 CD PRO A 64 -14.565 -4.267 0.724 1.00 0.00 C ATOM 0 HA PRO A 64 -16.971 -6.260 -0.170 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.983 -3.606 -1.325 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.752 -4.100 0.170 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.387 -2.440 -0.117 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.154 -2.937 1.378 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -13.635 -3.896 0.292 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.396 -4.382 1.795 1.00 0.00 H new ATOM 960 N GLY A 65 -16.048 -7.072 -2.413 1.00 0.00 N ATOM 961 CA GLY A 65 -15.864 -7.430 -3.847 1.00 0.00 C ATOM 962 C GLY A 65 -17.229 -7.648 -4.498 1.00 0.00 C ATOM 963 O GLY A 65 -18.231 -7.804 -3.828 1.00 0.00 O ATOM 0 H GLY A 65 -16.127 -7.863 -1.774 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.325 -6.636 -4.365 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.260 -8.333 -3.933 1.00 0.00 H new ATOM 967 N LYS A 66 -17.278 -7.660 -5.801 1.00 0.00 N ATOM 968 CA LYS A 66 -18.578 -7.867 -6.494 1.00 0.00 C ATOM 969 C LYS A 66 -18.377 -8.808 -7.683 1.00 0.00 C ATOM 970 O LYS A 66 -17.530 -9.680 -7.660 1.00 0.00 O ATOM 971 CB LYS A 66 -19.111 -6.521 -6.991 1.00 0.00 C ATOM 972 CG LYS A 66 -19.129 -5.520 -5.833 1.00 0.00 C ATOM 973 CD LYS A 66 -20.534 -4.931 -5.689 1.00 0.00 C ATOM 974 CE LYS A 66 -21.250 -5.603 -4.516 1.00 0.00 C ATOM 975 NZ LYS A 66 -22.583 -4.966 -4.318 1.00 0.00 N ATOM 0 H LYS A 66 -16.473 -7.535 -6.415 1.00 0.00 H new ATOM 0 HA LYS A 66 -19.294 -8.307 -5.800 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -18.484 -6.146 -7.800 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -20.116 -6.643 -7.396 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -18.833 -6.014 -4.907 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -18.407 -4.724 -6.015 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -20.474 -3.855 -5.524 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -21.099 -5.082 -6.609 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -21.370 -6.669 -4.711 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -20.652 -5.510 -3.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -23.071 -5.422 -3.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -22.457 -3.954 -4.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -23.152 -5.077 -5.181 1.00 0.00 H new ATOM 989 N SER A 67 -19.145 -8.640 -8.722 1.00 0.00 N ATOM 990 CA SER A 67 -18.995 -9.525 -9.911 1.00 0.00 C ATOM 991 C SER A 67 -17.586 -9.369 -10.488 1.00 0.00 C ATOM 992 O SER A 67 -17.284 -8.404 -11.161 1.00 0.00 O ATOM 993 CB SER A 67 -20.026 -9.133 -10.970 1.00 0.00 C ATOM 994 OG SER A 67 -19.537 -9.487 -12.256 1.00 0.00 O ATOM 0 H SER A 67 -19.871 -7.928 -8.800 1.00 0.00 H new ATOM 0 HA SER A 67 -19.154 -10.562 -9.615 1.00 0.00 H new ATOM 0 HB2 SER A 67 -20.973 -9.638 -10.777 1.00 0.00 H new ATOM 0 HB3 SER A 67 -20.221 -8.062 -10.925 1.00 0.00 H new ATOM 0 HG SER A 67 -20.197 -9.238 -12.937 1.00 0.00 H new ATOM 1000 N GLY A 68 -16.720 -10.311 -10.228 1.00 0.00 N ATOM 1001 CA GLY A 68 -15.331 -10.215 -10.761 1.00 0.00 C ATOM 1002 C GLY A 68 -14.783 -8.808 -10.510 1.00 0.00 C ATOM 1003 O GLY A 68 -14.640 -8.016 -11.419 1.00 0.00 O ATOM 0 H GLY A 68 -16.914 -11.142 -9.670 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -14.693 -10.956 -10.279 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -15.324 -10.434 -11.829 1.00 0.00 H new ATOM 1007 N ARG A 69 -14.476 -8.492 -9.281 1.00 0.00 N ATOM 1008 CA ARG A 69 -13.938 -7.138 -8.973 1.00 0.00 C ATOM 1009 C ARG A 69 -12.498 -7.261 -8.469 1.00 0.00 C ATOM 1010 O ARG A 69 -12.128 -8.244 -7.856 1.00 0.00 O ATOM 1011 CB ARG A 69 -14.802 -6.479 -7.895 1.00 0.00 C ATOM 1012 CG ARG A 69 -14.475 -4.986 -7.820 1.00 0.00 C ATOM 1013 CD ARG A 69 -14.612 -4.505 -6.375 1.00 0.00 C ATOM 1014 NE ARG A 69 -15.074 -3.088 -6.368 1.00 0.00 N ATOM 1015 CZ ARG A 69 -15.532 -2.554 -5.269 1.00 0.00 C ATOM 1016 NH1 ARG A 69 -16.422 -3.187 -4.558 1.00 0.00 N ATOM 1017 NH2 ARG A 69 -15.099 -1.385 -4.885 1.00 0.00 N ATOM 0 H ARG A 69 -14.575 -9.113 -8.478 1.00 0.00 H new ATOM 0 HA ARG A 69 -13.954 -6.527 -9.876 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -15.858 -6.620 -8.124 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -14.620 -6.951 -6.929 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.462 -4.806 -8.180 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.147 -4.423 -8.467 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -15.321 -5.133 -5.836 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -13.655 -4.590 -5.859 1.00 0.00 H new ATOM 0 HE ARG A 69 -15.032 -2.535 -7.224 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -16.761 -4.100 -4.860 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -16.780 -2.769 -3.699 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -14.404 -0.890 -5.443 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -15.456 -0.966 -4.026 1.00 0.00 H new ATOM 1031 N THR A 70 -11.685 -6.274 -8.719 1.00 0.00 N ATOM 1032 CA THR A 70 -10.271 -6.337 -8.254 1.00 0.00 C ATOM 1033 C THR A 70 -10.029 -5.249 -7.206 1.00 0.00 C ATOM 1034 O THR A 70 -10.868 -4.402 -6.971 1.00 0.00 O ATOM 1035 CB THR A 70 -9.332 -6.117 -9.442 1.00 0.00 C ATOM 1036 OG1 THR A 70 -10.100 -5.959 -10.627 1.00 0.00 O ATOM 1037 CG2 THR A 70 -8.402 -7.322 -9.591 1.00 0.00 C ATOM 0 H THR A 70 -11.938 -5.426 -9.225 1.00 0.00 H new ATOM 0 HA THR A 70 -10.078 -7.315 -7.814 1.00 0.00 H new ATOM 0 HB THR A 70 -8.735 -5.221 -9.273 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.500 -5.816 -11.389 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.734 -7.164 -10.438 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.813 -7.442 -8.682 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.995 -8.221 -9.760 1.00 0.00 H new ATOM 1045 N TRP A 71 -8.888 -5.266 -6.574 1.00 0.00 N ATOM 1046 CA TRP A 71 -8.593 -4.232 -5.543 1.00 0.00 C ATOM 1047 C TRP A 71 -7.126 -3.813 -5.648 1.00 0.00 C ATOM 1048 O TRP A 71 -6.295 -4.541 -6.153 1.00 0.00 O ATOM 1049 CB TRP A 71 -8.851 -4.808 -4.149 1.00 0.00 C ATOM 1050 CG TRP A 71 -10.293 -4.639 -3.792 1.00 0.00 C ATOM 1051 CD1 TRP A 71 -11.305 -5.388 -4.284 1.00 0.00 C ATOM 1052 CD2 TRP A 71 -10.900 -3.681 -2.876 1.00 0.00 C ATOM 1053 NE1 TRP A 71 -12.494 -4.951 -3.728 1.00 0.00 N ATOM 1054 CE2 TRP A 71 -12.297 -3.901 -2.855 1.00 0.00 C ATOM 1055 CE3 TRP A 71 -10.378 -2.653 -2.069 1.00 0.00 C ATOM 1056 CZ2 TRP A 71 -13.147 -3.127 -2.062 1.00 0.00 C ATOM 1057 CZ3 TRP A 71 -11.232 -1.875 -1.269 1.00 0.00 C ATOM 1058 CH2 TRP A 71 -12.613 -2.112 -1.267 1.00 0.00 C ATOM 0 H TRP A 71 -8.148 -5.951 -6.727 1.00 0.00 H new ATOM 0 HA TRP A 71 -9.236 -3.367 -5.706 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.582 -5.864 -4.126 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.223 -4.303 -3.415 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.202 -6.195 -4.994 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.406 -5.356 -3.938 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.315 -2.461 -2.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -14.211 -3.313 -2.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.821 -1.090 -0.652 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -13.264 -1.510 -0.651 1.00 0.00 H new ATOM 1069 N ARG A 72 -6.802 -2.647 -5.164 1.00 0.00 N ATOM 1070 CA ARG A 72 -5.391 -2.180 -5.221 1.00 0.00 C ATOM 1071 C ARG A 72 -4.890 -1.956 -3.794 1.00 0.00 C ATOM 1072 O ARG A 72 -5.533 -1.299 -2.999 1.00 0.00 O ATOM 1073 CB ARG A 72 -5.318 -0.869 -6.003 1.00 0.00 C ATOM 1074 CG ARG A 72 -5.529 -1.147 -7.493 1.00 0.00 C ATOM 1075 CD ARG A 72 -5.910 0.153 -8.204 1.00 0.00 C ATOM 1076 NE ARG A 72 -4.673 0.870 -8.624 1.00 0.00 N ATOM 1077 CZ ARG A 72 -4.741 1.843 -9.493 1.00 0.00 C ATOM 1078 NH1 ARG A 72 -5.895 2.198 -9.992 1.00 0.00 N ATOM 1079 NH2 ARG A 72 -3.654 2.463 -9.862 1.00 0.00 N ATOM 0 H ARG A 72 -7.456 -1.996 -4.730 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.771 -2.926 -5.718 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.077 -0.175 -5.641 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.350 -0.393 -5.845 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.620 -1.560 -7.929 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.314 -1.891 -7.628 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.531 -0.064 -9.074 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.501 0.784 -7.540 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.771 0.600 -8.232 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.746 1.715 -9.703 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.945 2.958 -10.670 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.753 2.188 -9.472 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.706 3.223 -10.540 1.00 0.00 H new ATOM 1093 N GLU A 73 -3.759 -2.507 -3.452 1.00 0.00 N ATOM 1094 CA GLU A 73 -3.244 -2.329 -2.066 1.00 0.00 C ATOM 1095 C GLU A 73 -2.065 -1.353 -2.061 1.00 0.00 C ATOM 1096 O GLU A 73 -1.332 -1.235 -3.025 1.00 0.00 O ATOM 1097 CB GLU A 73 -2.786 -3.681 -1.515 1.00 0.00 C ATOM 1098 CG GLU A 73 -1.497 -4.110 -2.217 1.00 0.00 C ATOM 1099 CD GLU A 73 -1.021 -5.445 -1.642 1.00 0.00 C ATOM 1100 OE1 GLU A 73 -1.827 -6.358 -1.572 1.00 0.00 O ATOM 1101 OE2 GLU A 73 0.141 -5.533 -1.280 1.00 0.00 O ATOM 0 H GLU A 73 -3.172 -3.070 -4.068 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.041 -1.926 -1.441 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.620 -3.610 -0.440 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.563 -4.430 -1.669 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.669 -4.205 -3.289 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.728 -3.350 -2.083 1.00 0.00 H new ATOM 1108 N ALA A 74 -1.878 -0.656 -0.974 1.00 0.00 N ATOM 1109 CA ALA A 74 -0.749 0.310 -0.885 1.00 0.00 C ATOM 1110 C ALA A 74 -0.108 0.205 0.500 1.00 0.00 C ATOM 1111 O ALA A 74 -0.757 -0.135 1.470 1.00 0.00 O ATOM 1112 CB ALA A 74 -1.272 1.732 -1.099 1.00 0.00 C ATOM 0 H ALA A 74 -2.462 -0.715 -0.140 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.009 0.080 -1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.444 2.438 -1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.734 1.805 -2.083 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.011 1.967 -0.333 1.00 0.00 H new ATOM 1118 N ASP A 75 1.160 0.488 0.605 1.00 0.00 N ATOM 1119 CA ASP A 75 1.833 0.397 1.932 1.00 0.00 C ATOM 1120 C ASP A 75 1.413 1.583 2.802 1.00 0.00 C ATOM 1121 O ASP A 75 1.348 2.706 2.347 1.00 0.00 O ATOM 1122 CB ASP A 75 3.350 0.420 1.736 1.00 0.00 C ATOM 1123 CG ASP A 75 3.901 -1.003 1.858 1.00 0.00 C ATOM 1124 OD1 ASP A 75 3.342 -1.889 1.233 1.00 0.00 O ATOM 1125 OD2 ASP A 75 4.873 -1.181 2.574 1.00 0.00 O ATOM 0 H ASP A 75 1.759 0.778 -0.168 1.00 0.00 H new ATOM 0 HA ASP A 75 1.543 -0.532 2.423 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.595 0.834 0.758 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.814 1.066 2.481 1.00 0.00 H new ATOM 1130 N ILE A 76 1.127 1.342 4.052 1.00 0.00 N ATOM 1131 CA ILE A 76 0.714 2.456 4.951 1.00 0.00 C ATOM 1132 C ILE A 76 1.699 2.554 6.117 1.00 0.00 C ATOM 1133 O ILE A 76 1.916 1.602 6.841 1.00 0.00 O ATOM 1134 CB ILE A 76 -0.691 2.182 5.490 1.00 0.00 C ATOM 1135 CG1 ILE A 76 -1.711 2.348 4.362 1.00 0.00 C ATOM 1136 CG2 ILE A 76 -1.012 3.172 6.611 1.00 0.00 C ATOM 1137 CD1 ILE A 76 -1.771 3.816 3.934 1.00 0.00 C ATOM 0 H ILE A 76 1.162 0.421 4.490 1.00 0.00 H new ATOM 0 HA ILE A 76 0.711 3.394 4.395 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.737 1.165 5.878 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.434 1.723 3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.694 2.016 4.696 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.013 2.976 6.994 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.286 3.058 7.416 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.965 4.189 6.222 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.498 3.931 3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.068 4.431 4.784 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.789 4.133 3.583 1.00 0.00 H new ATOM 1149 N ASN A 77 2.302 3.697 6.302 1.00 0.00 N ATOM 1150 CA ASN A 77 3.276 3.852 7.418 1.00 0.00 C ATOM 1151 C ASN A 77 4.554 3.079 7.084 1.00 0.00 C ATOM 1152 O ASN A 77 4.513 1.918 6.729 1.00 0.00 O ATOM 1153 CB ASN A 77 2.667 3.299 8.709 1.00 0.00 C ATOM 1154 CG ASN A 77 2.520 4.429 9.730 1.00 0.00 C ATOM 1155 OD1 ASN A 77 1.510 5.250 9.635 1.00 0.00 O flip ATOM 1156 ND2 ASN A 77 3.333 4.566 10.624 1.00 0.00 N flip ATOM 0 H ASN A 77 2.162 4.529 5.729 1.00 0.00 H new ATOM 0 HA ASN A 77 3.512 4.908 7.553 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.694 2.853 8.502 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.301 2.510 9.113 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.122 3.924 10.698 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.225 5.323 11.300 1.00 0.00 H new ATOM 1163 N TYR A 78 5.690 3.712 7.192 1.00 0.00 N ATOM 1164 CA TYR A 78 6.962 3.015 6.882 1.00 0.00 C ATOM 1165 C TYR A 78 8.143 3.889 7.313 1.00 0.00 C ATOM 1166 O TYR A 78 8.121 5.095 7.169 1.00 0.00 O ATOM 1167 CB TYR A 78 7.042 2.742 5.376 1.00 0.00 C ATOM 1168 CG TYR A 78 8.447 2.330 5.006 1.00 0.00 C ATOM 1169 CD1 TYR A 78 9.440 3.302 4.840 1.00 0.00 C ATOM 1170 CD2 TYR A 78 8.757 0.976 4.827 1.00 0.00 C ATOM 1171 CE1 TYR A 78 10.742 2.922 4.496 1.00 0.00 C ATOM 1172 CE2 TYR A 78 10.059 0.595 4.483 1.00 0.00 C ATOM 1173 CZ TYR A 78 11.052 1.568 4.317 1.00 0.00 C ATOM 1174 OH TYR A 78 12.336 1.192 3.979 1.00 0.00 O ATOM 0 H TYR A 78 5.788 4.685 7.483 1.00 0.00 H new ATOM 0 HA TYR A 78 6.999 2.069 7.422 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.338 1.956 5.101 1.00 0.00 H new ATOM 0 HB3 TYR A 78 6.756 3.635 4.819 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.201 4.346 4.978 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.991 0.225 4.954 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.508 3.673 4.369 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.298 -0.449 4.346 1.00 0.00 H new ATOM 0 HH TYR A 78 12.638 0.481 4.582 1.00 0.00 H new ATOM 1184 N THR A 79 9.175 3.290 7.843 1.00 0.00 N ATOM 1185 CA THR A 79 10.353 4.084 8.284 1.00 0.00 C ATOM 1186 C THR A 79 11.626 3.284 8.037 1.00 0.00 C ATOM 1187 O THR A 79 12.342 3.503 7.079 1.00 0.00 O ATOM 1188 CB THR A 79 10.226 4.394 9.778 1.00 0.00 C ATOM 1189 OG1 THR A 79 9.245 3.544 10.354 1.00 0.00 O ATOM 1190 CG2 THR A 79 9.811 5.854 9.963 1.00 0.00 C ATOM 0 H THR A 79 9.251 2.283 7.989 1.00 0.00 H new ATOM 0 HA THR A 79 10.396 5.016 7.721 1.00 0.00 H new ATOM 0 HB THR A 79 11.185 4.226 10.268 1.00 0.00 H new ATOM 0 HG1 THR A 79 9.164 3.740 11.311 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.721 6.075 11.027 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.564 6.505 9.520 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.852 6.024 9.474 1.00 0.00 H new ATOM 1198 N SER A 80 11.906 2.358 8.896 1.00 0.00 N ATOM 1199 CA SER A 80 13.130 1.524 8.734 1.00 0.00 C ATOM 1200 C SER A 80 12.842 0.097 9.206 1.00 0.00 C ATOM 1201 O SER A 80 11.897 -0.149 9.929 1.00 0.00 O ATOM 1202 CB SER A 80 14.267 2.116 9.569 1.00 0.00 C ATOM 1203 OG SER A 80 14.992 3.049 8.778 1.00 0.00 O ATOM 0 H SER A 80 11.338 2.136 9.714 1.00 0.00 H new ATOM 0 HA SER A 80 13.421 1.508 7.684 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.865 2.607 10.455 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.930 1.323 9.916 1.00 0.00 H new ATOM 0 HG SER A 80 14.410 3.403 8.074 1.00 0.00 H new ATOM 1209 N GLY A 81 13.648 -0.845 8.801 1.00 0.00 N ATOM 1210 CA GLY A 81 13.419 -2.256 9.227 1.00 0.00 C ATOM 1211 C GLY A 81 12.599 -2.983 8.160 1.00 0.00 C ATOM 1212 O GLY A 81 12.302 -2.440 7.114 1.00 0.00 O ATOM 0 H GLY A 81 14.455 -0.700 8.194 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.373 -2.762 9.375 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.894 -2.278 10.182 1.00 0.00 H new ATOM 1216 N PHE A 82 12.226 -4.208 8.416 1.00 0.00 N ATOM 1217 CA PHE A 82 11.424 -4.965 7.414 1.00 0.00 C ATOM 1218 C PHE A 82 10.171 -4.164 7.056 1.00 0.00 C ATOM 1219 O PHE A 82 9.942 -3.089 7.573 1.00 0.00 O ATOM 1220 CB PHE A 82 11.013 -6.316 8.005 1.00 0.00 C ATOM 1221 CG PHE A 82 11.851 -7.411 7.390 1.00 0.00 C ATOM 1222 CD1 PHE A 82 13.238 -7.421 7.581 1.00 0.00 C ATOM 1223 CD2 PHE A 82 11.242 -8.417 6.630 1.00 0.00 C ATOM 1224 CE1 PHE A 82 14.016 -8.437 7.012 1.00 0.00 C ATOM 1225 CE2 PHE A 82 12.019 -9.432 6.062 1.00 0.00 C ATOM 1226 CZ PHE A 82 13.406 -9.443 6.253 1.00 0.00 C ATOM 0 H PHE A 82 12.442 -4.716 9.274 1.00 0.00 H new ATOM 0 HA PHE A 82 12.022 -5.127 6.517 1.00 0.00 H new ATOM 0 HB2 PHE A 82 11.145 -6.307 9.087 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.956 -6.502 7.814 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.708 -6.645 8.167 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.172 -8.409 6.482 1.00 0.00 H new ATOM 0 HE1 PHE A 82 15.086 -8.444 7.159 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.549 -10.208 5.476 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.005 -10.227 5.815 1.00 0.00 H new ATOM 1236 N ARG A 83 9.357 -4.678 6.176 1.00 0.00 N ATOM 1237 CA ARG A 83 8.121 -3.947 5.787 1.00 0.00 C ATOM 1238 C ARG A 83 7.276 -3.671 7.032 1.00 0.00 C ATOM 1239 O ARG A 83 7.675 -3.965 8.141 1.00 0.00 O ATOM 1240 CB ARG A 83 7.322 -4.804 4.804 1.00 0.00 C ATOM 1241 CG ARG A 83 8.283 -5.465 3.814 1.00 0.00 C ATOM 1242 CD ARG A 83 7.845 -5.135 2.392 1.00 0.00 C ATOM 1243 NE ARG A 83 6.520 -5.758 2.129 1.00 0.00 N ATOM 1244 CZ ARG A 83 6.255 -6.954 2.582 1.00 0.00 C ATOM 1245 NH1 ARG A 83 6.649 -8.004 1.915 1.00 0.00 N ATOM 1246 NH2 ARG A 83 5.596 -7.099 3.698 1.00 0.00 N ATOM 0 H ARG A 83 9.496 -5.574 5.709 1.00 0.00 H new ATOM 0 HA ARG A 83 8.386 -3.000 5.317 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.757 -5.564 5.343 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.599 -4.187 4.270 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.300 -5.112 3.985 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.291 -6.545 3.963 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.785 -4.055 2.259 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.581 -5.503 1.678 1.00 0.00 H new ATOM 0 HE ARG A 83 5.816 -5.250 1.593 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.163 -7.890 1.041 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.443 -8.939 2.267 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.287 -6.278 4.218 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.390 -8.034 4.051 1.00 0.00 H new ATOM 1260 N ASN A 84 6.111 -3.108 6.859 1.00 0.00 N ATOM 1261 CA ASN A 84 5.244 -2.813 8.035 1.00 0.00 C ATOM 1262 C ASN A 84 4.014 -3.719 8.003 1.00 0.00 C ATOM 1263 O ASN A 84 3.849 -4.530 7.113 1.00 0.00 O ATOM 1264 CB ASN A 84 4.799 -1.347 7.999 1.00 0.00 C ATOM 1265 CG ASN A 84 4.745 -0.856 6.550 1.00 0.00 C ATOM 1266 OD1 ASN A 84 5.733 -0.397 6.014 1.00 0.00 O ATOM 1267 ND2 ASN A 84 3.623 -0.936 5.888 1.00 0.00 N ATOM 0 H ASN A 84 5.722 -2.840 5.955 1.00 0.00 H new ATOM 0 HA ASN A 84 5.808 -2.995 8.950 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.819 -1.244 8.464 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.492 -0.733 8.575 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.577 -0.613 4.922 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.792 -1.321 6.337 1.00 0.00 H new ATOM 1274 N SER A 85 3.146 -3.591 8.970 1.00 0.00 N ATOM 1275 CA SER A 85 1.926 -4.446 8.997 1.00 0.00 C ATOM 1276 C SER A 85 0.692 -3.585 8.724 1.00 0.00 C ATOM 1277 O SER A 85 -0.431 -4.036 8.845 1.00 0.00 O ATOM 1278 CB SER A 85 1.796 -5.105 10.370 1.00 0.00 C ATOM 1279 OG SER A 85 3.015 -5.761 10.693 1.00 0.00 O ATOM 0 H SER A 85 3.230 -2.931 9.743 1.00 0.00 H new ATOM 0 HA SER A 85 2.006 -5.217 8.231 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.562 -4.355 11.126 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.974 -5.821 10.366 1.00 0.00 H new ATOM 0 HG SER A 85 2.936 -6.183 11.574 1.00 0.00 H new ATOM 1285 N ASP A 86 0.886 -2.347 8.354 1.00 0.00 N ATOM 1286 CA ASP A 86 -0.280 -1.464 8.073 1.00 0.00 C ATOM 1287 C ASP A 86 -0.369 -1.204 6.568 1.00 0.00 C ATOM 1288 O ASP A 86 0.591 -0.808 5.938 1.00 0.00 O ATOM 1289 CB ASP A 86 -0.108 -0.133 8.806 1.00 0.00 C ATOM 1290 CG ASP A 86 -0.021 -0.385 10.313 1.00 0.00 C ATOM 1291 OD1 ASP A 86 -1.054 -0.632 10.913 1.00 0.00 O ATOM 1292 OD2 ASP A 86 1.078 -0.327 10.841 1.00 0.00 O ATOM 0 H ASP A 86 1.800 -1.911 8.235 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.192 -1.952 8.417 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.794 0.371 8.459 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.947 0.527 8.585 1.00 0.00 H new ATOM 1297 N ARG A 87 -1.517 -1.421 5.989 1.00 0.00 N ATOM 1298 CA ARG A 87 -1.672 -1.188 4.523 1.00 0.00 C ATOM 1299 C ARG A 87 -3.062 -0.614 4.247 1.00 0.00 C ATOM 1300 O ARG A 87 -3.913 -0.589 5.107 1.00 0.00 O ATOM 1301 CB ARG A 87 -1.517 -2.512 3.765 1.00 0.00 C ATOM 1302 CG ARG A 87 -0.446 -3.381 4.433 1.00 0.00 C ATOM 1303 CD ARG A 87 0.941 -2.933 3.968 1.00 0.00 C ATOM 1304 NE ARG A 87 1.793 -4.131 3.728 1.00 0.00 N ATOM 1305 CZ ARG A 87 2.907 -4.016 3.059 1.00 0.00 C ATOM 1306 NH1 ARG A 87 3.949 -3.466 3.619 1.00 0.00 N ATOM 1307 NH2 ARG A 87 2.979 -4.453 1.832 1.00 0.00 N ATOM 0 H ARG A 87 -2.356 -1.750 6.467 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.906 -0.488 4.189 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.469 -3.043 3.748 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.243 -2.316 2.728 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -0.521 -3.299 5.517 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.604 -4.429 4.181 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.858 -2.343 3.055 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.400 -2.292 4.721 1.00 0.00 H new ATOM 0 HE ARG A 87 1.505 -5.041 4.087 1.00 0.00 H new ATOM 0 HH11 ARG A 87 3.892 -3.126 4.579 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.820 -3.376 3.097 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.164 -4.885 1.396 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.850 -4.363 1.309 1.00 0.00 H new ATOM 1321 N ILE A 88 -3.304 -0.161 3.049 1.00 0.00 N ATOM 1322 CA ILE A 88 -4.646 0.397 2.719 1.00 0.00 C ATOM 1323 C ILE A 88 -5.097 -0.179 1.375 1.00 0.00 C ATOM 1324 O ILE A 88 -4.364 -0.166 0.406 1.00 0.00 O ATOM 1325 CB ILE A 88 -4.564 1.924 2.635 1.00 0.00 C ATOM 1326 CG1 ILE A 88 -5.973 2.510 2.517 1.00 0.00 C ATOM 1327 CG2 ILE A 88 -3.745 2.326 1.411 1.00 0.00 C ATOM 1328 CD1 ILE A 88 -5.878 3.997 2.168 1.00 0.00 C ATOM 0 H ILE A 88 -2.630 -0.153 2.283 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.364 0.129 3.494 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.085 2.308 3.536 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.536 1.980 1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.513 2.379 3.455 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.688 3.413 1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.740 1.913 1.494 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.222 1.939 0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.881 4.416 2.084 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.331 4.521 2.952 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.354 4.115 1.219 1.00 0.00 H new ATOM 1340 N LEU A 89 -6.290 -0.703 1.313 1.00 0.00 N ATOM 1341 CA LEU A 89 -6.772 -1.299 0.034 1.00 0.00 C ATOM 1342 C LEU A 89 -7.783 -0.366 -0.634 1.00 0.00 C ATOM 1343 O LEU A 89 -8.928 -0.294 -0.235 1.00 0.00 O ATOM 1344 CB LEU A 89 -7.450 -2.643 0.323 1.00 0.00 C ATOM 1345 CG LEU A 89 -6.409 -3.658 0.794 1.00 0.00 C ATOM 1346 CD1 LEU A 89 -5.304 -3.775 -0.254 1.00 0.00 C ATOM 1347 CD2 LEU A 89 -5.804 -3.195 2.120 1.00 0.00 C ATOM 0 H LEU A 89 -6.950 -0.745 2.089 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.921 -1.444 -0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.219 -2.516 1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.949 -3.010 -0.574 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.886 -4.628 0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.561 -4.499 0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.733 -4.106 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.829 -2.804 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.062 -3.920 2.454 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.327 -2.224 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.591 -3.110 2.869 1.00 0.00 H new ATOM 1359 N TYR A 90 -7.386 0.331 -1.665 1.00 0.00 N ATOM 1360 CA TYR A 90 -8.354 1.228 -2.358 1.00 0.00 C ATOM 1361 C TYR A 90 -8.930 0.481 -3.562 1.00 0.00 C ATOM 1362 O TYR A 90 -8.228 -0.227 -4.257 1.00 0.00 O ATOM 1363 CB TYR A 90 -7.671 2.519 -2.820 1.00 0.00 C ATOM 1364 CG TYR A 90 -6.337 2.220 -3.462 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -5.195 2.063 -2.666 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -6.238 2.118 -4.855 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -3.957 1.800 -3.263 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -4.998 1.858 -5.452 1.00 0.00 C ATOM 1369 CZ TYR A 90 -3.857 1.698 -4.655 1.00 0.00 C ATOM 1370 OH TYR A 90 -2.636 1.443 -5.245 1.00 0.00 O ATOM 0 H TYR A 90 -6.443 0.319 -2.054 1.00 0.00 H new ATOM 0 HA TYR A 90 -9.151 1.502 -1.666 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.312 3.041 -3.530 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.529 3.185 -1.969 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -5.270 2.145 -1.592 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -7.118 2.240 -5.469 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.078 1.676 -2.649 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.921 1.781 -6.527 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.405 2.179 -5.850 1.00 0.00 H new ATOM 1380 N SER A 91 -10.204 0.613 -3.803 1.00 0.00 N ATOM 1381 CA SER A 91 -10.824 -0.114 -4.950 1.00 0.00 C ATOM 1382 C SER A 91 -11.010 0.829 -6.142 1.00 0.00 C ATOM 1383 O SER A 91 -10.830 2.026 -6.035 1.00 0.00 O ATOM 1384 CB SER A 91 -12.185 -0.661 -4.523 1.00 0.00 C ATOM 1385 OG SER A 91 -12.415 -1.908 -5.165 1.00 0.00 O ATOM 0 H SER A 91 -10.843 1.191 -3.258 1.00 0.00 H new ATOM 0 HA SER A 91 -10.168 -0.932 -5.246 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.216 -0.786 -3.441 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.972 0.046 -4.785 1.00 0.00 H new ATOM 0 HG SER A 91 -12.269 -2.637 -4.526 1.00 0.00 H new ATOM 1391 N SER A 92 -11.372 0.293 -7.279 1.00 0.00 N ATOM 1392 CA SER A 92 -11.573 1.152 -8.481 1.00 0.00 C ATOM 1393 C SER A 92 -12.752 2.091 -8.239 1.00 0.00 C ATOM 1394 O SER A 92 -12.874 3.128 -8.859 1.00 0.00 O ATOM 1395 CB SER A 92 -11.856 0.275 -9.701 1.00 0.00 C ATOM 1396 OG SER A 92 -13.262 0.139 -9.864 1.00 0.00 O ATOM 0 H SER A 92 -11.537 -0.703 -7.426 1.00 0.00 H new ATOM 0 HA SER A 92 -10.672 1.738 -8.664 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.416 0.720 -10.593 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.396 -0.705 -9.574 1.00 0.00 H new ATOM 0 HG SER A 92 -13.448 -0.421 -10.646 1.00 0.00 H new ATOM 1402 N ASP A 93 -13.613 1.735 -7.333 1.00 0.00 N ATOM 1403 CA ASP A 93 -14.779 2.595 -7.029 1.00 0.00 C ATOM 1404 C ASP A 93 -14.395 3.578 -5.922 1.00 0.00 C ATOM 1405 O ASP A 93 -15.236 4.162 -5.271 1.00 0.00 O ATOM 1406 CB ASP A 93 -15.959 1.730 -6.574 1.00 0.00 C ATOM 1407 CG ASP A 93 -15.706 1.204 -5.159 1.00 0.00 C ATOM 1408 OD1 ASP A 93 -14.591 1.344 -4.686 1.00 0.00 O ATOM 1409 OD2 ASP A 93 -16.633 0.670 -4.576 1.00 0.00 O ATOM 0 H ASP A 93 -13.556 0.876 -6.786 1.00 0.00 H new ATOM 0 HA ASP A 93 -15.073 3.146 -7.922 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -16.879 2.315 -6.595 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -16.096 0.896 -7.262 1.00 0.00 H new ATOM 1414 N TRP A 94 -13.119 3.755 -5.714 1.00 0.00 N ATOM 1415 CA TRP A 94 -12.640 4.690 -4.663 1.00 0.00 C ATOM 1416 C TRP A 94 -12.981 4.144 -3.277 1.00 0.00 C ATOM 1417 O TRP A 94 -13.167 4.887 -2.335 1.00 0.00 O ATOM 1418 CB TRP A 94 -13.272 6.070 -4.858 1.00 0.00 C ATOM 1419 CG TRP A 94 -12.333 6.916 -5.655 1.00 0.00 C ATOM 1420 CD1 TRP A 94 -12.691 7.731 -6.673 1.00 0.00 C ATOM 1421 CD2 TRP A 94 -10.887 7.033 -5.525 1.00 0.00 C ATOM 1422 NE1 TRP A 94 -11.555 8.342 -7.176 1.00 0.00 N ATOM 1423 CE2 TRP A 94 -10.418 7.943 -6.501 1.00 0.00 C ATOM 1424 CE3 TRP A 94 -9.945 6.443 -4.662 1.00 0.00 C ATOM 1425 CZ2 TRP A 94 -9.063 8.255 -6.618 1.00 0.00 C ATOM 1426 CZ3 TRP A 94 -8.583 6.754 -4.777 1.00 0.00 C ATOM 1427 CH2 TRP A 94 -8.142 7.656 -5.753 1.00 0.00 C ATOM 0 H TRP A 94 -12.380 3.284 -6.236 1.00 0.00 H new ATOM 0 HA TRP A 94 -11.557 4.786 -4.745 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -14.229 5.979 -5.373 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -13.473 6.534 -3.892 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -13.698 7.881 -7.034 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -11.557 9.006 -7.950 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.274 5.746 -3.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -8.728 8.954 -7.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -7.869 6.295 -4.109 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -7.091 7.889 -5.838 1.00 0.00 H new ATOM 1438 N LEU A 95 -13.036 2.848 -3.138 1.00 0.00 N ATOM 1439 CA LEU A 95 -13.333 2.260 -1.803 1.00 0.00 C ATOM 1440 C LEU A 95 -12.023 2.157 -1.027 1.00 0.00 C ATOM 1441 O LEU A 95 -11.256 1.231 -1.212 1.00 0.00 O ATOM 1442 CB LEU A 95 -13.932 0.859 -1.970 1.00 0.00 C ATOM 1443 CG LEU A 95 -15.460 0.922 -1.892 1.00 0.00 C ATOM 1444 CD1 LEU A 95 -16.022 -0.498 -1.818 1.00 0.00 C ATOM 1445 CD2 LEU A 95 -15.884 1.699 -0.643 1.00 0.00 C ATOM 0 H LEU A 95 -12.889 2.173 -3.889 1.00 0.00 H new ATOM 0 HA LEU A 95 -14.047 2.888 -1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.627 0.437 -2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.548 0.197 -1.194 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.845 1.426 -2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -17.110 -0.456 -1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -15.725 -1.054 -2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -15.632 -0.998 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -16.972 1.741 -0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -15.498 1.198 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -15.484 2.712 -0.691 1.00 0.00 H new ATOM 1457 N ILE A 96 -11.743 3.104 -0.176 1.00 0.00 N ATOM 1458 CA ILE A 96 -10.466 3.053 0.586 1.00 0.00 C ATOM 1459 C ILE A 96 -10.658 2.299 1.900 1.00 0.00 C ATOM 1460 O ILE A 96 -11.419 2.699 2.761 1.00 0.00 O ATOM 1461 CB ILE A 96 -9.984 4.472 0.882 1.00 0.00 C ATOM 1462 CG1 ILE A 96 -10.307 5.380 -0.306 1.00 0.00 C ATOM 1463 CG2 ILE A 96 -8.473 4.448 1.114 1.00 0.00 C ATOM 1464 CD1 ILE A 96 -9.782 6.790 -0.029 1.00 0.00 C ATOM 0 H ILE A 96 -12.340 3.907 0.024 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.723 2.531 -0.017 1.00 0.00 H new ATOM 0 HB ILE A 96 -10.486 4.853 1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -9.853 4.983 -1.214 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -11.384 5.408 -0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -8.121 5.458 1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.245 3.799 1.960 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.974 4.070 0.222 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -10.012 7.437 -0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -10.257 7.185 0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.702 6.754 0.117 1.00 0.00 H new ATOM 1476 N TYR A 97 -9.950 1.217 2.062 1.00 0.00 N ATOM 1477 CA TYR A 97 -10.052 0.427 3.317 1.00 0.00 C ATOM 1478 C TYR A 97 -8.687 0.439 4.003 1.00 0.00 C ATOM 1479 O TYR A 97 -7.675 0.674 3.376 1.00 0.00 O ATOM 1480 CB TYR A 97 -10.444 -1.015 2.985 1.00 0.00 C ATOM 1481 CG TYR A 97 -11.948 -1.130 2.935 1.00 0.00 C ATOM 1482 CD1 TYR A 97 -12.669 -0.454 1.943 1.00 0.00 C ATOM 1483 CD2 TYR A 97 -12.622 -1.912 3.880 1.00 0.00 C ATOM 1484 CE1 TYR A 97 -14.064 -0.560 1.898 1.00 0.00 C ATOM 1485 CE2 TYR A 97 -14.016 -2.016 3.835 1.00 0.00 C ATOM 1486 CZ TYR A 97 -14.737 -1.341 2.844 1.00 0.00 C ATOM 1487 OH TYR A 97 -16.113 -1.443 2.803 1.00 0.00 O ATOM 0 H TYR A 97 -9.299 0.844 1.371 1.00 0.00 H new ATOM 0 HA TYR A 97 -10.808 0.858 3.973 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.014 -1.308 2.027 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -10.042 -1.694 3.736 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -12.149 0.149 1.213 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.066 -2.435 4.644 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -14.621 -0.039 1.133 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -14.536 -2.618 4.566 1.00 0.00 H new ATOM 0 HH TYR A 97 -16.420 -2.024 3.530 1.00 0.00 H new ATOM 1497 N LYS A 98 -8.641 0.193 5.280 1.00 0.00 N ATOM 1498 CA LYS A 98 -7.330 0.199 5.981 1.00 0.00 C ATOM 1499 C LYS A 98 -7.149 -1.121 6.733 1.00 0.00 C ATOM 1500 O LYS A 98 -8.107 -1.765 7.118 1.00 0.00 O ATOM 1501 CB LYS A 98 -7.288 1.363 6.975 1.00 0.00 C ATOM 1502 CG LYS A 98 -8.385 1.177 8.026 1.00 0.00 C ATOM 1503 CD LYS A 98 -7.883 1.679 9.380 1.00 0.00 C ATOM 1504 CE LYS A 98 -7.821 3.207 9.369 1.00 0.00 C ATOM 1505 NZ LYS A 98 -7.960 3.720 10.761 1.00 0.00 N ATOM 0 H LYS A 98 -9.450 -0.011 5.867 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.528 0.315 5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.312 1.408 7.457 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.429 2.308 6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.281 1.724 7.733 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.662 0.125 8.096 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.546 1.337 10.175 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.896 1.266 9.589 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.876 3.540 8.940 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.616 3.609 8.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.918 4.759 10.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.872 3.413 11.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.187 3.346 11.348 1.00 0.00 H new ATOM 1519 N THR A 99 -5.928 -1.525 6.946 1.00 0.00 N ATOM 1520 CA THR A 99 -5.671 -2.799 7.674 1.00 0.00 C ATOM 1521 C THR A 99 -4.470 -2.611 8.605 1.00 0.00 C ATOM 1522 O THR A 99 -3.372 -2.331 8.167 1.00 0.00 O ATOM 1523 CB THR A 99 -5.361 -3.911 6.667 1.00 0.00 C ATOM 1524 OG1 THR A 99 -4.729 -4.992 7.338 1.00 0.00 O ATOM 1525 CG2 THR A 99 -4.433 -3.373 5.576 1.00 0.00 C ATOM 0 H THR A 99 -5.092 -1.024 6.645 1.00 0.00 H new ATOM 0 HA THR A 99 -6.551 -3.072 8.256 1.00 0.00 H new ATOM 0 HB THR A 99 -6.289 -4.257 6.212 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.758 -4.862 7.326 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.214 -4.166 4.861 1.00 0.00 H new ATOM 0 HG22 THR A 99 -4.919 -2.544 5.061 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.504 -3.025 6.028 1.00 0.00 H new ATOM 1533 N THR A 100 -4.670 -2.756 9.886 1.00 0.00 N ATOM 1534 CA THR A 100 -3.538 -2.579 10.840 1.00 0.00 C ATOM 1535 C THR A 100 -3.024 -3.949 11.286 1.00 0.00 C ATOM 1536 O THR A 100 -2.457 -4.091 12.352 1.00 0.00 O ATOM 1537 CB THR A 100 -4.021 -1.793 12.061 1.00 0.00 C ATOM 1538 OG1 THR A 100 -5.429 -1.926 12.181 1.00 0.00 O ATOM 1539 CG2 THR A 100 -3.657 -0.316 11.897 1.00 0.00 C ATOM 0 H THR A 100 -5.566 -2.989 10.313 1.00 0.00 H new ATOM 0 HA THR A 100 -2.732 -2.033 10.350 1.00 0.00 H new ATOM 0 HB THR A 100 -3.542 -2.184 12.958 1.00 0.00 H new ATOM 0 HG1 THR A 100 -5.739 -1.424 12.964 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.002 0.242 12.767 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.575 -0.216 11.806 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.134 0.079 11.000 1.00 0.00 H new ATOM 1547 N ASP A 101 -3.215 -4.957 10.481 1.00 0.00 N ATOM 1548 CA ASP A 101 -2.733 -6.316 10.865 1.00 0.00 C ATOM 1549 C ASP A 101 -2.207 -7.039 9.623 1.00 0.00 C ATOM 1550 O ASP A 101 -2.073 -8.247 9.608 1.00 0.00 O ATOM 1551 CB ASP A 101 -3.874 -7.136 11.490 1.00 0.00 C ATOM 1552 CG ASP A 101 -5.189 -6.349 11.451 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -5.490 -5.787 10.411 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -5.868 -6.321 12.464 1.00 0.00 O ATOM 0 H ASP A 101 -3.682 -4.900 9.576 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.934 -6.211 11.599 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.991 -8.076 10.951 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.625 -7.388 12.521 1.00 0.00 H new ATOM 1559 N HIS A 102 -1.903 -6.308 8.584 1.00 0.00 N ATOM 1560 CA HIS A 102 -1.376 -6.948 7.342 1.00 0.00 C ATOM 1561 C HIS A 102 -2.524 -7.578 6.551 1.00 0.00 C ATOM 1562 O HIS A 102 -2.809 -8.752 6.681 1.00 0.00 O ATOM 1563 CB HIS A 102 -0.361 -8.030 7.716 1.00 0.00 C ATOM 1564 CG HIS A 102 0.635 -8.190 6.601 1.00 0.00 C ATOM 1565 ND1 HIS A 102 0.630 -9.290 5.757 1.00 0.00 N ATOM 1566 CD2 HIS A 102 1.677 -7.400 6.181 1.00 0.00 C ATOM 1567 CE1 HIS A 102 1.639 -9.132 4.881 1.00 0.00 C ATOM 1568 NE2 HIS A 102 2.309 -7.997 5.095 1.00 0.00 N ATOM 0 H HIS A 102 -1.997 -5.293 8.541 1.00 0.00 H new ATOM 0 HA HIS A 102 -0.892 -6.189 6.727 1.00 0.00 H new ATOM 0 HB2 HIS A 102 0.151 -7.760 8.639 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -0.872 -8.975 7.900 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.962 -6.458 6.626 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.878 -9.838 4.099 1.00 0.00 H new ATOM 0 HE2 HIS A 102 3.112 -7.644 4.574 1.00 0.00 H new ATOM 1576 N TYR A 103 -3.178 -6.807 5.725 1.00 0.00 N ATOM 1577 CA TYR A 103 -4.302 -7.356 4.914 1.00 0.00 C ATOM 1578 C TYR A 103 -5.161 -8.290 5.771 1.00 0.00 C ATOM 1579 O TYR A 103 -5.800 -9.193 5.268 1.00 0.00 O ATOM 1580 CB TYR A 103 -3.736 -8.133 3.724 1.00 0.00 C ATOM 1581 CG TYR A 103 -2.729 -7.273 2.996 1.00 0.00 C ATOM 1582 CD1 TYR A 103 -3.127 -6.055 2.433 1.00 0.00 C ATOM 1583 CD2 TYR A 103 -1.398 -7.694 2.885 1.00 0.00 C ATOM 1584 CE1 TYR A 103 -2.194 -5.258 1.759 1.00 0.00 C ATOM 1585 CE2 TYR A 103 -0.466 -6.897 2.211 1.00 0.00 C ATOM 1586 CZ TYR A 103 -0.864 -5.679 1.647 1.00 0.00 C ATOM 1587 OH TYR A 103 0.055 -4.893 0.983 1.00 0.00 O ATOM 0 H TYR A 103 -2.981 -5.817 5.577 1.00 0.00 H new ATOM 0 HA TYR A 103 -4.920 -6.533 4.556 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -3.264 -9.053 4.068 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -4.541 -8.421 3.048 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -4.153 -5.730 2.518 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -1.091 -8.634 3.320 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.501 -4.318 1.325 1.00 0.00 H new ATOM 0 HE2 TYR A 103 0.561 -7.222 2.126 1.00 0.00 H new ATOM 0 HH TYR A 103 0.460 -5.408 0.255 1.00 0.00 H new ATOM 1597 N GLN A 104 -5.188 -8.078 7.057 1.00 0.00 N ATOM 1598 CA GLN A 104 -6.014 -8.951 7.936 1.00 0.00 C ATOM 1599 C GLN A 104 -7.416 -8.364 8.041 1.00 0.00 C ATOM 1600 O GLN A 104 -8.369 -8.883 7.496 1.00 0.00 O ATOM 1601 CB GLN A 104 -5.380 -9.023 9.327 1.00 0.00 C ATOM 1602 CG GLN A 104 -5.556 -10.431 9.898 1.00 0.00 C ATOM 1603 CD GLN A 104 -4.947 -11.452 8.937 1.00 0.00 C ATOM 1604 OE1 GLN A 104 -4.170 -11.102 8.071 1.00 0.00 O ATOM 1605 NE2 GLN A 104 -5.268 -12.712 9.053 1.00 0.00 N ATOM 0 H GLN A 104 -4.674 -7.339 7.537 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.067 -9.955 7.515 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.321 -8.773 9.268 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.844 -8.291 9.988 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.075 -10.502 10.873 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.614 -10.644 10.049 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.920 -13.007 9.780 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.867 -13.401 8.417 1.00 0.00 H new ATOM 1614 N THR A 105 -7.532 -7.277 8.730 1.00 0.00 N ATOM 1615 CA THR A 105 -8.858 -6.615 8.879 1.00 0.00 C ATOM 1616 C THR A 105 -8.961 -5.485 7.856 1.00 0.00 C ATOM 1617 O THR A 105 -7.973 -5.061 7.289 1.00 0.00 O ATOM 1618 CB THR A 105 -8.991 -6.042 10.293 1.00 0.00 C ATOM 1619 OG1 THR A 105 -10.328 -5.614 10.505 1.00 0.00 O ATOM 1620 CG2 THR A 105 -8.041 -4.854 10.454 1.00 0.00 C ATOM 0 H THR A 105 -6.761 -6.808 9.205 1.00 0.00 H new ATOM 0 HA THR A 105 -9.655 -7.340 8.713 1.00 0.00 H new ATOM 0 HB THR A 105 -8.736 -6.810 11.023 1.00 0.00 H new ATOM 0 HG1 THR A 105 -10.415 -5.249 11.410 1.00 0.00 H new ATOM 0 HG21 THR A 105 -8.136 -4.446 11.460 1.00 0.00 H new ATOM 0 HG22 THR A 105 -7.015 -5.184 10.291 1.00 0.00 H new ATOM 0 HG23 THR A 105 -8.294 -4.084 9.725 1.00 0.00 H new ATOM 1628 N PHE A 106 -10.141 -4.991 7.605 1.00 0.00 N ATOM 1629 CA PHE A 106 -10.283 -3.893 6.609 1.00 0.00 C ATOM 1630 C PHE A 106 -11.396 -2.939 7.040 1.00 0.00 C ATOM 1631 O PHE A 106 -12.535 -3.330 7.200 1.00 0.00 O ATOM 1632 CB PHE A 106 -10.620 -4.489 5.242 1.00 0.00 C ATOM 1633 CG PHE A 106 -9.530 -5.450 4.835 1.00 0.00 C ATOM 1634 CD1 PHE A 106 -8.356 -4.965 4.246 1.00 0.00 C ATOM 1635 CD2 PHE A 106 -9.692 -6.824 5.046 1.00 0.00 C ATOM 1636 CE1 PHE A 106 -7.344 -5.855 3.869 1.00 0.00 C ATOM 1637 CE2 PHE A 106 -8.680 -7.714 4.670 1.00 0.00 C ATOM 1638 CZ PHE A 106 -7.506 -7.230 4.081 1.00 0.00 C ATOM 0 H PHE A 106 -11.009 -5.298 8.044 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.345 -3.341 6.547 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -11.579 -5.005 5.284 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.717 -3.696 4.501 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.232 -3.905 4.083 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.598 -7.197 5.499 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -6.438 -5.482 3.415 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -8.805 -8.774 4.834 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.725 -7.917 3.790 1.00 0.00 H new ATOM 1648 N THR A 107 -11.075 -1.688 7.225 1.00 0.00 N ATOM 1649 CA THR A 107 -12.116 -0.707 7.642 1.00 0.00 C ATOM 1650 C THR A 107 -12.257 0.371 6.564 1.00 0.00 C ATOM 1651 O THR A 107 -11.282 0.906 6.077 1.00 0.00 O ATOM 1652 CB THR A 107 -11.705 -0.056 8.965 1.00 0.00 C ATOM 1653 OG1 THR A 107 -11.077 -1.026 9.791 1.00 0.00 O ATOM 1654 CG2 THR A 107 -12.945 0.494 9.672 1.00 0.00 C ATOM 0 H THR A 107 -10.138 -1.303 7.106 1.00 0.00 H new ATOM 0 HA THR A 107 -13.069 -1.220 7.772 1.00 0.00 H new ATOM 0 HB THR A 107 -11.010 0.761 8.769 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.811 -0.611 10.638 1.00 0.00 H new ATOM 0 HG21 THR A 107 -12.651 0.957 10.614 1.00 0.00 H new ATOM 0 HG22 THR A 107 -13.426 1.237 9.037 1.00 0.00 H new ATOM 0 HG23 THR A 107 -13.642 -0.320 9.870 1.00 0.00 H new ATOM 1662 N LYS A 108 -13.463 0.695 6.187 1.00 0.00 N ATOM 1663 CA LYS A 108 -13.657 1.738 5.139 1.00 0.00 C ATOM 1664 C LYS A 108 -13.511 3.125 5.768 1.00 0.00 C ATOM 1665 O LYS A 108 -14.089 3.413 6.797 1.00 0.00 O ATOM 1666 CB LYS A 108 -15.054 1.598 4.531 1.00 0.00 C ATOM 1667 CG LYS A 108 -15.346 2.808 3.642 1.00 0.00 C ATOM 1668 CD LYS A 108 -16.654 2.582 2.882 1.00 0.00 C ATOM 1669 CE LYS A 108 -17.838 2.796 3.829 1.00 0.00 C ATOM 1670 NZ LYS A 108 -18.572 1.512 4.004 1.00 0.00 N ATOM 0 H LYS A 108 -14.320 0.285 6.557 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.907 1.612 4.358 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.118 0.680 3.947 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.801 1.525 5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -15.418 3.710 4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.527 2.962 2.939 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -16.720 3.269 2.039 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.680 1.572 2.473 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -17.485 3.160 4.794 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -18.506 3.557 3.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -19.376 1.657 4.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -18.921 1.183 3.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -17.932 0.798 4.406 1.00 0.00 H new ATOM 1684 N ILE A 109 -12.742 3.985 5.159 1.00 0.00 N ATOM 1685 CA ILE A 109 -12.562 5.352 5.727 1.00 0.00 C ATOM 1686 C ILE A 109 -13.042 6.395 4.716 1.00 0.00 C ATOM 1687 O ILE A 109 -13.746 7.325 5.057 1.00 0.00 O ATOM 1688 CB ILE A 109 -11.082 5.590 6.042 1.00 0.00 C ATOM 1689 CG1 ILE A 109 -10.212 4.793 5.066 1.00 0.00 C ATOM 1690 CG2 ILE A 109 -10.786 5.136 7.473 1.00 0.00 C ATOM 1691 CD1 ILE A 109 -8.740 5.145 5.291 1.00 0.00 C ATOM 0 H ILE A 109 -12.232 3.802 4.295 1.00 0.00 H new ATOM 0 HA ILE A 109 -13.145 5.439 6.644 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.859 6.652 5.941 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -10.368 3.724 5.212 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -10.498 5.019 4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.733 5.305 7.698 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.402 5.705 8.170 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -11.012 4.074 7.572 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.120 4.578 4.597 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.591 6.212 5.123 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -8.459 4.897 6.314 1.00 0.00 H new ATOM 1703 N ARG A 110 -12.667 6.251 3.475 1.00 0.00 N ATOM 1704 CA ARG A 110 -13.104 7.237 2.446 1.00 0.00 C ATOM 1705 C ARG A 110 -13.442 6.503 1.146 1.00 0.00 C ATOM 1706 O ARG A 110 -14.126 5.495 1.219 1.00 0.00 O ATOM 1707 CB ARG A 110 -11.978 8.239 2.188 1.00 0.00 C ATOM 1708 CG ARG A 110 -11.718 9.056 3.456 1.00 0.00 C ATOM 1709 CD ARG A 110 -11.959 10.540 3.166 1.00 0.00 C ATOM 1710 NE ARG A 110 -10.757 11.329 3.561 1.00 0.00 N ATOM 1711 CZ ARG A 110 -10.077 11.002 4.628 1.00 0.00 C ATOM 1712 NH1 ARG A 110 -10.661 10.984 5.794 1.00 0.00 N ATOM 1713 NH2 ARG A 110 -8.813 10.692 4.527 1.00 0.00 N ATOM 1714 OXT ARG A 110 -13.011 6.961 0.101 1.00 0.00 O ATOM 0 H ARG A 110 -12.077 5.494 3.129 1.00 0.00 H new ATOM 0 HA ARG A 110 -13.987 7.767 2.804 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -11.071 7.713 1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -12.248 8.901 1.365 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -12.374 8.720 4.259 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -10.694 8.903 3.797 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -12.169 10.684 2.106 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -12.833 10.891 3.715 1.00 0.00 H new ATOM 0 HE ARG A 110 -10.465 12.127 2.997 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -11.649 11.225 5.873 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -10.130 10.729 6.627 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -8.356 10.705 3.615 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.282 10.437 5.360 1.00 0.00 H new TER 1728 ARG A 110