USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 732 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 SER OG : rot -135:sc= 0.611 USER MOD Set 1.2: A 42 GLN : amide:sc= 0.25 K(o=0.86,f=-0.14) USER MOD Single : A 31 THR OG1 : rot 33:sc= 0.987 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.326 K(o=0.33,f=-6.1!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0.912 (180deg=0.912) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 165:sc= -0.0582 (180deg=-0.19) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -160:sc= 0.685 (180deg=0.491) USER MOD Single : A 64 TYR OH : rot 150:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 THR OG1 : rot 32:sc= 0.489 USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 SER OG : rot 180:sc= 0.115 USER MOD Single : B 42 GLN : amide:sc= -0.0266 X(o=-0.027,f=-0.27) USER MOD Single : B 43 TYR OH : rot 180:sc= 0 USER MOD Single : B 44 GLN : amide:sc= 0.257 X(o=0.26,f=0) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 MET CE :methyl 179:sc= -0.587 (180deg=-0.592) USER MOD Single : B 51 ASN : amide:sc= 0 X(o=0,f=-0.006) USER MOD Single : B 56 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 60 TYR OH : rot 180:sc= 0 USER MOD Single : B 62 LYS NZ :NH3+ -146:sc= 1.13 (180deg=0.358) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 31 -8.944 12.828 -13.933 1.00 0.00 N ATOM 2 CA THR A 31 -8.027 11.741 -13.530 1.00 0.00 C ATOM 3 C THR A 31 -7.552 11.866 -12.076 1.00 0.00 C ATOM 4 O THR A 31 -7.560 12.943 -11.475 1.00 0.00 O ATOM 5 CB THR A 31 -6.806 11.631 -14.471 1.00 0.00 C ATOM 6 OG1 THR A 31 -6.006 10.500 -14.215 1.00 0.00 O ATOM 7 CG2 THR A 31 -5.860 12.833 -14.439 1.00 0.00 C ATOM 0 HA THR A 31 -8.615 10.827 -13.611 1.00 0.00 H new ATOM 0 HB THR A 31 -7.283 11.566 -15.449 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.572 9.763 -13.902 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.034 12.665 -15.131 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.403 13.731 -14.733 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.468 12.961 -13.430 1.00 0.00 H new ATOM 15 N ARG A 32 -7.081 10.748 -11.534 1.00 0.00 N ATOM 16 CA ARG A 32 -6.471 10.623 -10.211 1.00 0.00 C ATOM 17 C ARG A 32 -5.010 10.157 -10.326 1.00 0.00 C ATOM 18 O ARG A 32 -4.718 8.965 -10.459 1.00 0.00 O ATOM 19 CB ARG A 32 -7.294 9.682 -9.320 1.00 0.00 C ATOM 20 CG ARG A 32 -8.767 10.073 -9.144 1.00 0.00 C ATOM 21 CD ARG A 32 -8.962 11.456 -8.521 1.00 0.00 C ATOM 22 NE ARG A 32 -10.395 11.713 -8.325 1.00 0.00 N ATOM 23 CZ ARG A 32 -10.969 12.465 -7.406 1.00 0.00 C ATOM 24 NH1 ARG A 32 -10.295 13.142 -6.514 1.00 0.00 N ATOM 25 NH2 ARG A 32 -12.267 12.541 -7.382 1.00 0.00 N ATOM 0 H ARG A 32 -7.115 9.857 -12.030 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.467 11.605 -9.739 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.249 8.677 -9.740 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.826 9.637 -8.336 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.260 10.049 -10.116 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.260 9.329 -8.518 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.439 11.513 -7.567 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.531 12.221 -9.167 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.025 11.252 -8.982 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.276 13.103 -6.508 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.788 13.709 -5.824 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.821 12.025 -8.066 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.731 13.117 -6.680 1.00 0.00 H new ATOM 39 N ALA A 33 -4.092 11.125 -10.284 1.00 0.00 N ATOM 40 CA ALA A 33 -2.653 10.894 -10.175 1.00 0.00 C ATOM 41 C ALA A 33 -2.295 10.108 -8.892 1.00 0.00 C ATOM 42 O ALA A 33 -2.701 10.490 -7.790 1.00 0.00 O ATOM 43 CB ALA A 33 -1.949 12.253 -10.200 1.00 0.00 C ATOM 0 H ALA A 33 -4.336 12.114 -10.326 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.320 10.283 -11.014 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.872 12.106 -10.120 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.177 12.764 -11.136 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.296 12.858 -9.362 1.00 0.00 H new ATOM 49 N VAL A 34 -1.518 9.032 -9.029 1.00 0.00 N ATOM 50 CA VAL A 34 -1.068 8.142 -7.947 1.00 0.00 C ATOM 51 C VAL A 34 0.338 7.649 -8.256 1.00 0.00 C ATOM 52 O VAL A 34 0.559 6.912 -9.210 1.00 0.00 O ATOM 53 CB VAL A 34 -2.014 6.942 -7.725 1.00 0.00 C ATOM 54 CG1 VAL A 34 -1.477 5.986 -6.652 1.00 0.00 C ATOM 55 CG2 VAL A 34 -3.399 7.389 -7.241 1.00 0.00 C ATOM 0 H VAL A 34 -1.166 8.740 -9.941 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.074 8.719 -7.023 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.080 6.447 -8.694 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.171 5.155 -6.525 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.504 5.603 -6.960 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.374 6.520 -5.707 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.034 6.515 -7.097 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.299 7.924 -6.297 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.850 8.046 -7.985 1.00 0.00 H new ATOM 65 N SER A 35 1.290 8.084 -7.446 1.00 0.00 N ATOM 66 CA SER A 35 2.725 7.940 -7.690 1.00 0.00 C ATOM 67 C SER A 35 3.461 7.194 -6.572 1.00 0.00 C ATOM 68 O SER A 35 3.163 7.356 -5.384 1.00 0.00 O ATOM 69 CB SER A 35 3.327 9.323 -7.928 1.00 0.00 C ATOM 70 OG SER A 35 4.693 9.232 -8.297 1.00 0.00 O ATOM 0 H SER A 35 1.083 8.564 -6.570 1.00 0.00 H new ATOM 0 HA SER A 35 2.853 7.320 -8.577 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.769 9.835 -8.712 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.231 9.924 -7.024 1.00 0.00 H new ATOM 0 HG SER A 35 5.053 10.132 -8.445 1.00 0.00 H new ATOM 76 N LEU A 36 4.412 6.353 -6.978 1.00 0.00 N ATOM 77 CA LEU A 36 5.149 5.412 -6.141 1.00 0.00 C ATOM 78 C LEU A 36 6.664 5.489 -6.423 1.00 0.00 C ATOM 79 O LEU A 36 7.098 6.019 -7.448 1.00 0.00 O ATOM 80 CB LEU A 36 4.611 3.984 -6.373 1.00 0.00 C ATOM 81 CG LEU A 36 3.100 3.800 -6.111 1.00 0.00 C ATOM 82 CD1 LEU A 36 2.248 3.905 -7.379 1.00 0.00 C ATOM 83 CD2 LEU A 36 2.832 2.417 -5.530 1.00 0.00 C ATOM 0 H LEU A 36 4.703 6.309 -7.954 1.00 0.00 H new ATOM 0 HA LEU A 36 5.001 5.678 -5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.823 3.696 -7.403 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.161 3.297 -5.730 1.00 0.00 H new ATOM 0 HG LEU A 36 2.826 4.601 -5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.197 3.766 -7.124 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.385 4.888 -7.829 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.554 3.135 -8.088 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.764 2.299 -5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.167 1.655 -6.234 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.373 2.306 -4.590 1.00 0.00 H new ATOM 95 N TYR A 37 7.462 4.932 -5.513 1.00 0.00 N ATOM 96 CA TYR A 37 8.911 5.174 -5.408 1.00 0.00 C ATOM 97 C TYR A 37 9.677 3.844 -5.353 1.00 0.00 C ATOM 98 O TYR A 37 10.087 3.362 -4.294 1.00 0.00 O ATOM 99 CB TYR A 37 9.166 6.106 -4.211 1.00 0.00 C ATOM 100 CG TYR A 37 8.385 7.409 -4.304 1.00 0.00 C ATOM 101 CD1 TYR A 37 8.788 8.407 -5.213 1.00 0.00 C ATOM 102 CD2 TYR A 37 7.209 7.588 -3.548 1.00 0.00 C ATOM 103 CE1 TYR A 37 8.018 9.577 -5.363 1.00 0.00 C ATOM 104 CE2 TYR A 37 6.440 8.755 -3.705 1.00 0.00 C ATOM 105 CZ TYR A 37 6.843 9.749 -4.613 1.00 0.00 C ATOM 106 OH TYR A 37 6.088 10.874 -4.761 1.00 0.00 O ATOM 0 H TYR A 37 7.115 4.282 -4.807 1.00 0.00 H new ATOM 0 HA TYR A 37 9.292 5.681 -6.295 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.895 5.590 -3.290 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.231 6.329 -4.150 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.688 8.275 -5.795 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.898 6.828 -2.847 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.332 10.343 -6.056 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.538 8.888 -3.126 1.00 0.00 H new ATOM 0 HH TYR A 37 5.310 10.827 -4.166 1.00 0.00 H new ATOM 116 N PHE A 38 9.732 3.168 -6.497 1.00 0.00 N ATOM 117 CA PHE A 38 10.296 1.839 -6.690 1.00 0.00 C ATOM 118 C PHE A 38 11.836 1.829 -6.654 1.00 0.00 C ATOM 119 O PHE A 38 12.495 2.869 -6.746 1.00 0.00 O ATOM 120 CB PHE A 38 9.777 1.332 -8.041 1.00 0.00 C ATOM 121 CG PHE A 38 8.404 0.674 -7.978 1.00 0.00 C ATOM 122 CD1 PHE A 38 7.262 1.386 -7.562 1.00 0.00 C ATOM 123 CD2 PHE A 38 8.281 -0.692 -8.294 1.00 0.00 C ATOM 124 CE1 PHE A 38 6.027 0.723 -7.426 1.00 0.00 C ATOM 125 CE2 PHE A 38 7.057 -1.360 -8.116 1.00 0.00 C ATOM 126 CZ PHE A 38 5.930 -0.656 -7.676 1.00 0.00 C ATOM 0 H PHE A 38 9.362 3.558 -7.364 1.00 0.00 H new ATOM 0 HA PHE A 38 9.987 1.189 -5.871 1.00 0.00 H new ATOM 0 HB2 PHE A 38 9.734 2.169 -8.738 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.492 0.616 -8.446 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.334 2.442 -7.347 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.135 -1.232 -8.677 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.150 1.278 -7.128 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.986 -2.418 -8.319 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.991 -1.170 -7.530 1.00 0.00 H new ATOM 136 N SER A 39 12.411 0.630 -6.576 1.00 0.00 N ATOM 137 CA SER A 39 13.847 0.414 -6.725 1.00 0.00 C ATOM 138 C SER A 39 14.223 0.033 -8.154 1.00 0.00 C ATOM 139 O SER A 39 13.364 -0.377 -8.936 1.00 0.00 O ATOM 140 CB SER A 39 14.307 -0.678 -5.750 1.00 0.00 C ATOM 141 OG SER A 39 13.754 -1.928 -6.126 1.00 0.00 O ATOM 0 H SER A 39 11.886 -0.228 -6.406 1.00 0.00 H new ATOM 0 HA SER A 39 14.352 1.352 -6.495 1.00 0.00 H new ATOM 0 HB2 SER A 39 15.395 -0.739 -5.746 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.998 -0.425 -4.736 1.00 0.00 H new ATOM 0 HG SER A 39 13.415 -2.388 -5.330 1.00 0.00 H new ATOM 147 N ASP A 40 15.513 0.132 -8.490 1.00 0.00 N ATOM 148 CA ASP A 40 16.059 -0.373 -9.753 1.00 0.00 C ATOM 149 C ASP A 40 15.617 -1.823 -10.014 1.00 0.00 C ATOM 150 O ASP A 40 15.035 -2.097 -11.060 1.00 0.00 O ATOM 151 CB ASP A 40 17.592 -0.191 -9.777 1.00 0.00 C ATOM 152 CG ASP A 40 18.388 -1.148 -8.860 1.00 0.00 C ATOM 153 OD1 ASP A 40 18.075 -1.225 -7.647 1.00 0.00 O ATOM 154 OD2 ASP A 40 19.322 -1.818 -9.359 1.00 0.00 O ATOM 0 H ASP A 40 16.212 0.568 -7.889 1.00 0.00 H new ATOM 0 HA ASP A 40 15.653 0.213 -10.578 1.00 0.00 H new ATOM 0 HB2 ASP A 40 17.941 -0.323 -10.801 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.824 0.835 -9.491 1.00 0.00 H new ATOM 159 N GLU A 41 15.762 -2.719 -9.032 1.00 0.00 N ATOM 160 CA GLU A 41 15.310 -4.124 -9.103 1.00 0.00 C ATOM 161 C GLU A 41 13.831 -4.265 -9.411 1.00 0.00 C ATOM 162 O GLU A 41 13.478 -4.846 -10.432 1.00 0.00 O ATOM 163 CB GLU A 41 15.592 -4.838 -7.779 1.00 0.00 C ATOM 164 CG GLU A 41 17.083 -5.043 -7.558 1.00 0.00 C ATOM 165 CD GLU A 41 17.538 -6.415 -8.049 1.00 0.00 C ATOM 166 OE1 GLU A 41 17.129 -6.829 -9.158 1.00 0.00 O ATOM 167 OE2 GLU A 41 18.310 -7.076 -7.318 1.00 0.00 O ATOM 0 H GLU A 41 16.206 -2.488 -8.143 1.00 0.00 H new ATOM 0 HA GLU A 41 15.869 -4.576 -9.922 1.00 0.00 H new ATOM 0 HB2 GLU A 41 15.179 -4.255 -6.956 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.087 -5.804 -7.771 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.640 -4.265 -8.081 1.00 0.00 H new ATOM 0 HG3 GLU A 41 17.312 -4.941 -6.497 1.00 0.00 H new ATOM 174 N GLN A 42 12.972 -3.715 -8.552 1.00 0.00 N ATOM 175 CA GLN A 42 11.507 -3.796 -8.713 1.00 0.00 C ATOM 176 C GLN A 42 11.011 -3.115 -10.011 1.00 0.00 C ATOM 177 O GLN A 42 10.049 -3.589 -10.619 1.00 0.00 O ATOM 178 CB GLN A 42 10.776 -3.277 -7.463 1.00 0.00 C ATOM 179 CG GLN A 42 10.643 -4.313 -6.332 1.00 0.00 C ATOM 180 CD GLN A 42 11.952 -4.791 -5.736 1.00 0.00 C ATOM 181 OE1 GLN A 42 12.498 -4.194 -4.820 1.00 0.00 O ATOM 182 NE2 GLN A 42 12.475 -5.905 -6.204 1.00 0.00 N ATOM 0 H GLN A 42 13.265 -3.199 -7.722 1.00 0.00 H new ATOM 0 HA GLN A 42 11.257 -4.852 -8.818 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.308 -2.405 -7.081 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.780 -2.942 -7.752 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.036 -3.882 -5.536 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.100 -5.177 -6.715 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.017 -6.401 -6.969 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.338 -6.272 -5.802 1.00 0.00 H new ATOM 191 N TYR A 43 11.687 -2.067 -10.501 1.00 0.00 N ATOM 192 CA TYR A 43 11.407 -1.448 -11.811 1.00 0.00 C ATOM 193 C TYR A 43 11.808 -2.336 -12.990 1.00 0.00 C ATOM 194 O TYR A 43 11.022 -2.591 -13.898 1.00 0.00 O ATOM 195 CB TYR A 43 12.199 -0.148 -11.936 1.00 0.00 C ATOM 196 CG TYR A 43 11.672 0.812 -12.982 1.00 0.00 C ATOM 197 CD1 TYR A 43 12.133 0.748 -14.311 1.00 0.00 C ATOM 198 CD2 TYR A 43 10.741 1.800 -12.614 1.00 0.00 C ATOM 199 CE1 TYR A 43 11.692 1.692 -15.256 1.00 0.00 C ATOM 200 CE2 TYR A 43 10.319 2.755 -13.554 1.00 0.00 C ATOM 201 CZ TYR A 43 10.788 2.699 -14.877 1.00 0.00 C ATOM 202 OH TYR A 43 10.367 3.624 -15.784 1.00 0.00 O ATOM 0 H TYR A 43 12.452 -1.618 -9.997 1.00 0.00 H new ATOM 0 HA TYR A 43 10.330 -1.283 -11.850 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.202 0.355 -10.969 1.00 0.00 H new ATOM 0 HB3 TYR A 43 13.235 -0.390 -12.173 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.826 -0.027 -14.605 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.350 1.825 -11.608 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.049 1.643 -16.274 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.632 3.534 -13.259 1.00 0.00 H new ATOM 0 HH TYR A 43 9.744 4.245 -15.353 1.00 0.00 H new ATOM 212 N GLN A 44 13.041 -2.835 -12.958 1.00 0.00 N ATOM 213 CA GLN A 44 13.579 -3.735 -13.993 1.00 0.00 C ATOM 214 C GLN A 44 12.794 -5.053 -14.086 1.00 0.00 C ATOM 215 O GLN A 44 12.591 -5.593 -15.171 1.00 0.00 O ATOM 216 CB GLN A 44 15.073 -4.042 -13.794 1.00 0.00 C ATOM 217 CG GLN A 44 16.007 -3.107 -14.578 1.00 0.00 C ATOM 218 CD GLN A 44 16.118 -1.724 -13.979 1.00 0.00 C ATOM 219 OE1 GLN A 44 15.407 -0.797 -14.343 1.00 0.00 O ATOM 220 NE2 GLN A 44 17.040 -1.528 -13.063 1.00 0.00 N ATOM 0 H GLN A 44 13.705 -2.629 -12.211 1.00 0.00 H new ATOM 0 HA GLN A 44 13.463 -3.192 -14.931 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.311 -3.972 -12.733 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.267 -5.071 -14.096 1.00 0.00 H new ATOM 0 HG2 GLN A 44 17.000 -3.554 -14.625 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.646 -3.022 -15.603 1.00 0.00 H new ATOM 0 HE21 GLN A 44 17.632 -2.302 -12.761 1.00 0.00 H new ATOM 0 HE22 GLN A 44 17.164 -0.602 -12.654 1.00 0.00 H new ATOM 229 N LYS A 45 12.291 -5.547 -12.956 1.00 0.00 N ATOM 230 CA LYS A 45 11.339 -6.649 -12.873 1.00 0.00 C ATOM 231 C LYS A 45 10.019 -6.366 -13.630 1.00 0.00 C ATOM 232 O LYS A 45 9.484 -7.283 -14.257 1.00 0.00 O ATOM 233 CB LYS A 45 11.104 -6.954 -11.386 1.00 0.00 C ATOM 234 CG LYS A 45 11.757 -8.254 -10.871 1.00 0.00 C ATOM 235 CD LYS A 45 13.238 -8.164 -10.447 1.00 0.00 C ATOM 236 CE LYS A 45 14.215 -7.840 -11.587 1.00 0.00 C ATOM 237 NZ LYS A 45 15.626 -8.057 -11.193 1.00 0.00 N ATOM 0 H LYS A 45 12.546 -5.176 -12.041 1.00 0.00 H new ATOM 0 HA LYS A 45 11.757 -7.524 -13.372 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.481 -6.119 -10.796 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.030 -7.011 -11.208 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.180 -8.610 -10.018 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.672 -9.010 -11.651 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.335 -7.400 -9.676 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.530 -9.112 -9.995 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.981 -8.462 -12.451 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.081 -6.803 -11.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.249 -7.826 -11.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.859 -7.445 -10.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.762 -9.052 -10.924 1.00 0.00 H new ATOM 251 N LEU A 46 9.527 -5.116 -13.667 1.00 0.00 N ATOM 252 CA LEU A 46 8.487 -4.725 -14.626 1.00 0.00 C ATOM 253 C LEU A 46 9.020 -4.620 -16.055 1.00 0.00 C ATOM 254 O LEU A 46 8.391 -5.151 -16.958 1.00 0.00 O ATOM 255 CB LEU A 46 7.840 -3.375 -14.261 1.00 0.00 C ATOM 256 CG LEU A 46 6.456 -3.376 -13.592 1.00 0.00 C ATOM 257 CD1 LEU A 46 5.643 -2.194 -14.146 1.00 0.00 C ATOM 258 CD2 LEU A 46 5.594 -4.619 -13.808 1.00 0.00 C ATOM 0 H LEU A 46 9.832 -4.366 -13.047 1.00 0.00 H new ATOM 0 HA LEU A 46 7.742 -5.519 -14.574 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.527 -2.848 -13.599 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.764 -2.787 -15.176 1.00 0.00 H new ATOM 0 HG LEU A 46 6.675 -3.326 -12.525 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.657 -2.181 -13.681 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.161 -1.261 -13.925 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.534 -2.302 -15.225 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.644 -4.498 -13.287 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.409 -4.753 -14.874 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.113 -5.494 -13.417 1.00 0.00 H new ATOM 270 N GLU A 47 10.150 -3.952 -16.289 1.00 0.00 N ATOM 271 CA GLU A 47 10.693 -3.735 -17.649 1.00 0.00 C ATOM 272 C GLU A 47 10.935 -5.034 -18.420 1.00 0.00 C ATOM 273 O GLU A 47 10.642 -5.112 -19.614 1.00 0.00 O ATOM 274 CB GLU A 47 11.965 -2.883 -17.596 1.00 0.00 C ATOM 275 CG GLU A 47 12.395 -2.388 -18.975 1.00 0.00 C ATOM 276 CD GLU A 47 13.618 -1.491 -18.841 1.00 0.00 C ATOM 277 OE1 GLU A 47 14.748 -2.028 -18.830 1.00 0.00 O ATOM 278 OE2 GLU A 47 13.447 -0.253 -18.764 1.00 0.00 O ATOM 0 H GLU A 47 10.721 -3.543 -15.549 1.00 0.00 H new ATOM 0 HA GLU A 47 9.926 -3.193 -18.203 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.798 -2.027 -16.942 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.772 -3.468 -17.156 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.623 -3.236 -19.621 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.579 -1.839 -19.445 1.00 0.00 H new ATOM 285 N LYS A 48 11.375 -6.083 -17.726 1.00 0.00 N ATOM 286 CA LYS A 48 11.556 -7.412 -18.310 1.00 0.00 C ATOM 287 C LYS A 48 10.212 -8.046 -18.733 1.00 0.00 C ATOM 288 O LYS A 48 10.108 -8.665 -19.793 1.00 0.00 O ATOM 289 CB LYS A 48 12.316 -8.315 -17.322 1.00 0.00 C ATOM 290 CG LYS A 48 12.844 -9.582 -18.022 1.00 0.00 C ATOM 291 CD LYS A 48 13.629 -10.520 -17.091 1.00 0.00 C ATOM 292 CE LYS A 48 12.718 -11.206 -16.062 1.00 0.00 C ATOM 293 NZ LYS A 48 13.447 -12.225 -15.275 1.00 0.00 N ATOM 0 H LYS A 48 11.618 -6.035 -16.736 1.00 0.00 H new ATOM 0 HA LYS A 48 12.148 -7.307 -19.219 1.00 0.00 H new ATOM 0 HB2 LYS A 48 13.149 -7.763 -16.886 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.657 -8.597 -16.501 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.003 -10.128 -18.448 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.486 -9.287 -18.852 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.138 -11.278 -17.686 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.400 -9.952 -16.571 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.301 -10.457 -15.389 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.879 -11.675 -16.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.798 -12.665 -14.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.823 -12.954 -15.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.233 -11.773 -14.765 1.00 0.00 H new ATOM 307 N MET A 49 9.168 -7.851 -17.923 1.00 0.00 N ATOM 308 CA MET A 49 7.800 -8.314 -18.183 1.00 0.00 C ATOM 309 C MET A 49 7.111 -7.501 -19.292 1.00 0.00 C ATOM 310 O MET A 49 6.497 -8.045 -20.209 1.00 0.00 O ATOM 311 CB MET A 49 7.024 -8.201 -16.864 1.00 0.00 C ATOM 312 CG MET A 49 5.617 -8.788 -16.955 1.00 0.00 C ATOM 313 SD MET A 49 4.855 -9.367 -15.415 1.00 0.00 S ATOM 314 CE MET A 49 4.961 -7.888 -14.380 1.00 0.00 C ATOM 0 H MET A 49 9.253 -7.350 -17.039 1.00 0.00 H new ATOM 0 HA MET A 49 7.824 -9.344 -18.537 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.577 -8.714 -16.077 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.958 -7.152 -16.575 1.00 0.00 H new ATOM 0 HG2 MET A 49 4.964 -8.032 -17.391 1.00 0.00 H new ATOM 0 HG3 MET A 49 5.645 -9.625 -17.653 1.00 0.00 H new ATOM 0 HE1 MET A 49 4.307 -8.001 -13.516 1.00 0.00 H new ATOM 0 HE2 MET A 49 5.988 -7.753 -14.042 1.00 0.00 H new ATOM 0 HE3 MET A 49 4.652 -7.017 -14.958 1.00 0.00 H new ATOM 324 N ALA A 50 7.278 -6.184 -19.235 1.00 0.00 N ATOM 325 CA ALA A 50 6.751 -5.193 -20.172 1.00 0.00 C ATOM 326 C ALA A 50 7.220 -5.385 -21.619 1.00 0.00 C ATOM 327 O ALA A 50 6.473 -5.082 -22.543 1.00 0.00 O ATOM 328 CB ALA A 50 7.094 -3.799 -19.645 1.00 0.00 C ATOM 0 H ALA A 50 7.819 -5.751 -18.487 1.00 0.00 H new ATOM 0 HA ALA A 50 5.670 -5.325 -20.223 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.708 -3.045 -20.332 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.642 -3.660 -18.663 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.176 -3.697 -19.564 1.00 0.00 H new ATOM 334 N ASN A 51 8.401 -5.960 -21.845 1.00 0.00 N ATOM 335 CA ASN A 51 8.851 -6.347 -23.183 1.00 0.00 C ATOM 336 C ASN A 51 7.904 -7.360 -23.886 1.00 0.00 C ATOM 337 O ASN A 51 7.858 -7.404 -25.117 1.00 0.00 O ATOM 338 CB ASN A 51 10.290 -6.853 -23.066 1.00 0.00 C ATOM 339 CG ASN A 51 10.918 -7.151 -24.421 1.00 0.00 C ATOM 340 OD1 ASN A 51 11.036 -6.283 -25.278 1.00 0.00 O ATOM 341 ND2 ASN A 51 11.347 -8.376 -24.652 1.00 0.00 N ATOM 0 H ASN A 51 9.073 -6.171 -21.107 1.00 0.00 H new ATOM 0 HA ASN A 51 8.822 -5.475 -23.837 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.892 -6.108 -22.547 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.305 -7.756 -22.456 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.779 -8.605 -25.547 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.247 -9.095 -23.936 1.00 0.00 H new ATOM 348 N GLU A 52 7.092 -8.119 -23.130 1.00 0.00 N ATOM 349 CA GLU A 52 6.023 -8.996 -23.659 1.00 0.00 C ATOM 350 C GLU A 52 4.823 -8.225 -24.233 1.00 0.00 C ATOM 351 O GLU A 52 4.220 -8.657 -25.216 1.00 0.00 O ATOM 352 CB GLU A 52 5.543 -9.982 -22.581 1.00 0.00 C ATOM 353 CG GLU A 52 4.820 -11.188 -23.180 1.00 0.00 C ATOM 354 CD GLU A 52 4.477 -12.193 -22.089 1.00 0.00 C ATOM 355 OE1 GLU A 52 5.356 -13.009 -21.731 1.00 0.00 O ATOM 356 OE2 GLU A 52 3.321 -12.183 -21.611 1.00 0.00 O ATOM 0 H GLU A 52 7.159 -8.143 -22.112 1.00 0.00 H new ATOM 0 HA GLU A 52 6.471 -9.544 -24.488 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.398 -10.326 -21.999 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.875 -9.466 -21.891 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.910 -10.862 -23.683 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.449 -11.660 -23.934 1.00 0.00 H new ATOM 363 N GLU A 53 4.522 -7.049 -23.667 1.00 0.00 N ATOM 364 CA GLU A 53 3.567 -6.034 -24.165 1.00 0.00 C ATOM 365 C GLU A 53 4.207 -5.024 -25.131 1.00 0.00 C ATOM 366 O GLU A 53 3.525 -4.147 -25.663 1.00 0.00 O ATOM 367 CB GLU A 53 2.972 -5.284 -22.962 1.00 0.00 C ATOM 368 CG GLU A 53 1.782 -6.001 -22.323 1.00 0.00 C ATOM 369 CD GLU A 53 0.487 -5.712 -23.066 1.00 0.00 C ATOM 370 OE1 GLU A 53 0.166 -6.442 -24.032 1.00 0.00 O ATOM 371 OE2 GLU A 53 -0.240 -4.785 -22.640 1.00 0.00 O ATOM 0 H GLU A 53 4.963 -6.757 -22.795 1.00 0.00 H new ATOM 0 HA GLU A 53 2.795 -6.560 -24.727 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.749 -5.146 -22.210 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.658 -4.291 -23.283 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.965 -7.075 -22.316 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.683 -5.687 -21.284 1.00 0.00 H new ATOM 378 N GLU A 54 5.514 -5.171 -25.380 1.00 0.00 N ATOM 379 CA GLU A 54 6.372 -4.341 -26.256 1.00 0.00 C ATOM 380 C GLU A 54 6.697 -2.968 -25.646 1.00 0.00 C ATOM 381 O GLU A 54 6.622 -1.925 -26.297 1.00 0.00 O ATOM 382 CB GLU A 54 5.831 -4.287 -27.699 1.00 0.00 C ATOM 383 CG GLU A 54 6.959 -4.091 -28.710 1.00 0.00 C ATOM 384 CD GLU A 54 6.387 -3.974 -30.116 1.00 0.00 C ATOM 385 OE1 GLU A 54 6.209 -5.022 -30.776 1.00 0.00 O ATOM 386 OE2 GLU A 54 6.133 -2.834 -30.568 1.00 0.00 O ATOM 0 H GLU A 54 6.045 -5.926 -24.946 1.00 0.00 H new ATOM 0 HA GLU A 54 7.340 -4.836 -26.327 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.296 -5.210 -27.923 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.113 -3.472 -27.790 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.526 -3.193 -28.464 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.653 -4.930 -28.660 1.00 0.00 H new ATOM 393 N GLU A 55 7.065 -3.006 -24.359 1.00 0.00 N ATOM 394 CA GLU A 55 7.420 -1.894 -23.452 1.00 0.00 C ATOM 395 C GLU A 55 6.265 -0.932 -23.144 1.00 0.00 C ATOM 396 O GLU A 55 5.902 -0.055 -23.926 1.00 0.00 O ATOM 397 CB GLU A 55 8.673 -1.133 -23.896 1.00 0.00 C ATOM 398 CG GLU A 55 9.883 -2.044 -24.109 1.00 0.00 C ATOM 399 CD GLU A 55 11.097 -1.209 -24.490 1.00 0.00 C ATOM 400 OE1 GLU A 55 11.833 -0.774 -23.577 1.00 0.00 O ATOM 401 OE2 GLU A 55 11.320 -0.997 -25.704 1.00 0.00 O ATOM 0 H GLU A 55 7.130 -3.901 -23.874 1.00 0.00 H new ATOM 0 HA GLU A 55 7.654 -2.392 -22.511 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.459 -0.601 -24.823 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.919 -0.381 -23.146 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.089 -2.608 -23.200 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.669 -2.770 -24.893 1.00 0.00 H new ATOM 408 N SER A 56 5.713 -1.107 -21.947 1.00 0.00 N ATOM 409 CA SER A 56 4.564 -0.385 -21.378 1.00 0.00 C ATOM 410 C SER A 56 4.760 -0.159 -19.862 1.00 0.00 C ATOM 411 O SER A 56 3.847 -0.321 -19.046 1.00 0.00 O ATOM 412 CB SER A 56 3.273 -1.159 -21.695 1.00 0.00 C ATOM 413 OG SER A 56 3.267 -2.443 -21.088 1.00 0.00 O ATOM 0 H SER A 56 6.078 -1.805 -21.298 1.00 0.00 H new ATOM 0 HA SER A 56 4.484 0.603 -21.831 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.412 -0.588 -21.347 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.169 -1.267 -22.775 1.00 0.00 H new ATOM 0 HG SER A 56 2.432 -2.905 -21.309 1.00 0.00 H new ATOM 419 N VAL A 57 6.005 0.106 -19.452 1.00 0.00 N ATOM 420 CA VAL A 57 6.428 0.134 -18.039 1.00 0.00 C ATOM 421 C VAL A 57 5.604 1.145 -17.218 1.00 0.00 C ATOM 422 O VAL A 57 5.463 2.308 -17.597 1.00 0.00 O ATOM 423 CB VAL A 57 7.934 0.443 -17.890 1.00 0.00 C ATOM 424 CG1 VAL A 57 8.399 0.196 -16.451 1.00 0.00 C ATOM 425 CG2 VAL A 57 8.792 -0.453 -18.793 1.00 0.00 C ATOM 0 H VAL A 57 6.764 0.311 -20.101 1.00 0.00 H new ATOM 0 HA VAL A 57 6.244 -0.866 -17.646 1.00 0.00 H new ATOM 0 HB VAL A 57 8.058 1.489 -18.171 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.463 0.420 -16.369 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.839 0.839 -15.772 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.226 -0.847 -16.187 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.845 -0.204 -18.658 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.630 -1.498 -18.529 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.512 -0.295 -19.834 1.00 0.00 H new ATOM 435 N GLY A 58 5.015 0.686 -16.111 1.00 0.00 N ATOM 436 CA GLY A 58 4.110 1.453 -15.235 1.00 0.00 C ATOM 437 C GLY A 58 2.636 1.239 -15.595 1.00 0.00 C ATOM 438 O GLY A 58 1.818 0.909 -14.738 1.00 0.00 O ATOM 0 H GLY A 58 5.158 -0.269 -15.782 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.275 1.159 -14.198 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.350 2.514 -15.308 1.00 0.00 H new ATOM 442 N SER A 59 2.311 1.262 -16.887 1.00 0.00 N ATOM 443 CA SER A 59 1.004 0.830 -17.387 1.00 0.00 C ATOM 444 C SER A 59 0.782 -0.678 -17.184 1.00 0.00 C ATOM 445 O SER A 59 -0.328 -1.101 -16.863 1.00 0.00 O ATOM 446 CB SER A 59 0.878 1.173 -18.869 1.00 0.00 C ATOM 447 OG SER A 59 0.844 2.576 -19.084 1.00 0.00 O ATOM 0 H SER A 59 2.946 1.581 -17.618 1.00 0.00 H new ATOM 0 HA SER A 59 0.241 1.359 -16.816 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.717 0.742 -19.415 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.029 0.722 -19.271 1.00 0.00 H new ATOM 0 HG SER A 59 0.765 2.758 -20.044 1.00 0.00 H new ATOM 453 N TYR A 60 1.844 -1.493 -17.267 1.00 0.00 N ATOM 454 CA TYR A 60 1.800 -2.914 -16.888 1.00 0.00 C ATOM 455 C TYR A 60 1.428 -3.106 -15.408 1.00 0.00 C ATOM 456 O TYR A 60 0.595 -3.947 -15.075 1.00 0.00 O ATOM 457 CB TYR A 60 3.149 -3.588 -17.184 1.00 0.00 C ATOM 458 CG TYR A 60 3.022 -5.043 -17.604 1.00 0.00 C ATOM 459 CD1 TYR A 60 2.568 -6.022 -16.697 1.00 0.00 C ATOM 460 CD2 TYR A 60 3.347 -5.422 -18.920 1.00 0.00 C ATOM 461 CE1 TYR A 60 2.402 -7.355 -17.116 1.00 0.00 C ATOM 462 CE2 TYR A 60 3.228 -6.765 -19.322 1.00 0.00 C ATOM 463 CZ TYR A 60 2.724 -7.724 -18.433 1.00 0.00 C ATOM 464 OH TYR A 60 2.594 -9.019 -18.840 1.00 0.00 O ATOM 0 H TYR A 60 2.758 -1.186 -17.599 1.00 0.00 H new ATOM 0 HA TYR A 60 1.021 -3.385 -17.487 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.657 -3.034 -17.973 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.778 -3.528 -16.296 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.347 -5.748 -15.676 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.689 -4.678 -19.624 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.027 -8.095 -16.425 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.526 -7.058 -20.318 1.00 0.00 H new ATOM 0 HH TYR A 60 2.859 -9.095 -19.780 1.00 0.00 H new ATOM 474 N ILE A 61 1.993 -2.270 -14.527 1.00 0.00 N ATOM 475 CA ILE A 61 1.646 -2.225 -13.087 1.00 0.00 C ATOM 476 C ILE A 61 0.146 -1.978 -12.931 1.00 0.00 C ATOM 477 O ILE A 61 -0.555 -2.721 -12.242 1.00 0.00 O ATOM 478 CB ILE A 61 2.512 -1.176 -12.322 1.00 0.00 C ATOM 479 CG1 ILE A 61 3.461 -1.892 -11.343 1.00 0.00 C ATOM 480 CG2 ILE A 61 1.740 -0.098 -11.526 1.00 0.00 C ATOM 481 CD1 ILE A 61 4.590 -0.990 -10.845 1.00 0.00 C ATOM 0 H ILE A 61 2.712 -1.596 -14.790 1.00 0.00 H new ATOM 0 HA ILE A 61 1.877 -3.188 -12.632 1.00 0.00 H new ATOM 0 HB ILE A 61 3.039 -0.647 -13.116 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.889 -2.255 -10.489 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.890 -2.766 -11.834 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.449 0.572 -11.039 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.109 0.474 -12.206 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.117 -0.579 -10.772 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.226 -1.549 -10.159 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.183 -0.648 -11.693 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.167 -0.129 -10.328 1.00 0.00 H new ATOM 493 N LYS A 62 -0.357 -0.974 -13.652 1.00 0.00 N ATOM 494 CA LYS A 62 -1.760 -0.607 -13.575 1.00 0.00 C ATOM 495 C LYS A 62 -2.639 -1.765 -14.082 1.00 0.00 C ATOM 496 O LYS A 62 -3.540 -2.209 -13.382 1.00 0.00 O ATOM 497 CB LYS A 62 -1.997 0.713 -14.340 1.00 0.00 C ATOM 498 CG LYS A 62 -3.103 1.557 -13.686 1.00 0.00 C ATOM 499 CD LYS A 62 -3.362 2.896 -14.402 1.00 0.00 C ATOM 500 CE LYS A 62 -4.122 2.712 -15.726 1.00 0.00 C ATOM 501 NZ LYS A 62 -4.349 3.996 -16.429 1.00 0.00 N ATOM 0 H LYS A 62 0.193 -0.404 -14.295 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.046 -0.430 -12.538 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.071 1.287 -14.371 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.270 0.492 -15.372 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.027 0.979 -13.669 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.832 1.756 -12.649 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.934 3.552 -13.746 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.411 3.391 -14.597 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.560 2.040 -16.374 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.082 2.235 -15.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.128 3.886 -17.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.595 4.732 -15.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.483 4.272 -16.935 1.00 0.00 H new ATOM 515 N ARG A 63 -2.308 -2.354 -15.233 1.00 0.00 N ATOM 516 CA ARG A 63 -2.999 -3.522 -15.795 1.00 0.00 C ATOM 517 C ARG A 63 -3.040 -4.719 -14.821 1.00 0.00 C ATOM 518 O ARG A 63 -4.079 -5.359 -14.681 1.00 0.00 O ATOM 519 CB ARG A 63 -2.356 -3.896 -17.145 1.00 0.00 C ATOM 520 CG ARG A 63 -3.171 -4.966 -17.894 1.00 0.00 C ATOM 521 CD ARG A 63 -2.634 -5.255 -19.303 1.00 0.00 C ATOM 522 NE ARG A 63 -3.488 -6.250 -19.977 1.00 0.00 N ATOM 523 CZ ARG A 63 -3.532 -6.542 -21.267 1.00 0.00 C ATOM 524 NH1 ARG A 63 -2.735 -6.018 -22.157 1.00 0.00 N ATOM 525 NH2 ARG A 63 -4.410 -7.402 -21.703 1.00 0.00 N ATOM 0 H ARG A 63 -1.536 -2.027 -15.814 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.042 -3.252 -15.962 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.271 -3.004 -17.766 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.344 -4.264 -16.975 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.168 -5.889 -17.314 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.208 -4.639 -17.967 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.606 -4.334 -19.886 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.610 -5.625 -19.242 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.122 -6.777 -19.376 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.027 -5.341 -21.872 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.820 -6.285 -23.138 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.057 -7.845 -21.051 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.449 -7.632 -22.696 1.00 0.00 H new ATOM 539 N TYR A 64 -1.957 -4.993 -14.089 1.00 0.00 N ATOM 540 CA TYR A 64 -1.865 -6.105 -13.128 1.00 0.00 C ATOM 541 C TYR A 64 -2.798 -5.914 -11.920 1.00 0.00 C ATOM 542 O TYR A 64 -3.451 -6.843 -11.447 1.00 0.00 O ATOM 543 CB TYR A 64 -0.407 -6.274 -12.656 1.00 0.00 C ATOM 544 CG TYR A 64 0.056 -7.717 -12.580 1.00 0.00 C ATOM 545 CD1 TYR A 64 -0.498 -8.595 -11.626 1.00 0.00 C ATOM 546 CD2 TYR A 64 1.045 -8.191 -13.465 1.00 0.00 C ATOM 547 CE1 TYR A 64 -0.074 -9.936 -11.569 1.00 0.00 C ATOM 548 CE2 TYR A 64 1.470 -9.530 -13.400 1.00 0.00 C ATOM 549 CZ TYR A 64 0.913 -10.402 -12.452 1.00 0.00 C ATOM 550 OH TYR A 64 1.316 -11.701 -12.410 1.00 0.00 O ATOM 0 H TYR A 64 -1.102 -4.440 -14.146 1.00 0.00 H new ATOM 0 HA TYR A 64 -2.190 -7.009 -13.643 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.249 -5.728 -13.335 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.299 -5.817 -11.672 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.249 -8.238 -10.937 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.478 -7.524 -14.196 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.509 -10.608 -10.844 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.227 -9.888 -14.082 1.00 0.00 H new ATOM 0 HH TYR A 64 1.598 -11.985 -13.305 1.00 0.00 H new ATOM 560 N ILE A 65 -2.905 -4.673 -11.453 1.00 0.00 N ATOM 561 CA ILE A 65 -3.786 -4.271 -10.347 1.00 0.00 C ATOM 562 C ILE A 65 -5.244 -4.153 -10.799 1.00 0.00 C ATOM 563 O ILE A 65 -6.146 -4.574 -10.078 1.00 0.00 O ATOM 564 CB ILE A 65 -3.227 -2.981 -9.712 1.00 0.00 C ATOM 565 CG1 ILE A 65 -2.004 -3.341 -8.849 1.00 0.00 C ATOM 566 CG2 ILE A 65 -4.220 -2.169 -8.877 1.00 0.00 C ATOM 567 CD1 ILE A 65 -2.293 -3.981 -7.486 1.00 0.00 C ATOM 0 H ILE A 65 -2.370 -3.895 -11.839 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.797 -5.044 -9.579 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.966 -2.332 -10.548 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.373 -4.023 -9.419 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.424 -2.433 -8.683 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.723 -1.285 -8.479 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.058 -1.863 -9.504 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.588 -2.780 -8.053 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.353 -4.188 -6.974 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.892 -3.298 -6.883 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.840 -4.913 -7.630 1.00 0.00 H new ATOM 579 N LEU A 66 -5.486 -3.706 -12.031 1.00 0.00 N ATOM 580 CA LEU A 66 -6.824 -3.674 -12.633 1.00 0.00 C ATOM 581 C LEU A 66 -7.347 -5.104 -12.870 1.00 0.00 C ATOM 582 O LEU A 66 -8.528 -5.383 -12.659 1.00 0.00 O ATOM 583 CB LEU A 66 -6.759 -2.847 -13.932 1.00 0.00 C ATOM 584 CG LEU A 66 -6.956 -1.323 -13.763 1.00 0.00 C ATOM 585 CD1 LEU A 66 -6.332 -0.666 -12.528 1.00 0.00 C ATOM 586 CD2 LEU A 66 -6.384 -0.603 -14.986 1.00 0.00 C ATOM 0 H LEU A 66 -4.754 -3.352 -12.647 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.533 -3.197 -11.956 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.792 -3.020 -14.404 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.520 -3.220 -14.618 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.034 -1.221 -13.642 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.547 0.402 -12.536 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.751 -1.114 -11.627 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.253 -0.819 -12.541 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.520 0.472 -14.872 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.321 -0.826 -15.076 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.903 -0.941 -15.883 1.00 0.00 H new ATOM 598 N LYS A 67 -6.453 -6.035 -13.214 1.00 0.00 N ATOM 599 CA LYS A 67 -6.725 -7.468 -13.298 1.00 0.00 C ATOM 600 C LYS A 67 -7.076 -8.076 -11.925 1.00 0.00 C ATOM 601 O LYS A 67 -8.060 -8.806 -11.799 1.00 0.00 O ATOM 602 CB LYS A 67 -5.493 -8.144 -13.923 1.00 0.00 C ATOM 603 CG LYS A 67 -5.694 -9.639 -14.209 1.00 0.00 C ATOM 604 CD LYS A 67 -4.488 -10.272 -14.927 1.00 0.00 C ATOM 605 CE LYS A 67 -3.213 -10.260 -14.067 1.00 0.00 C ATOM 606 NZ LYS A 67 -2.080 -10.929 -14.746 1.00 0.00 N ATOM 0 H LYS A 67 -5.488 -5.802 -13.449 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.602 -7.638 -13.923 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.242 -7.635 -14.853 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.642 -8.022 -13.253 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.870 -10.164 -13.270 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.587 -9.771 -14.820 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.730 -11.300 -15.197 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.300 -9.734 -15.856 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.941 -9.230 -13.837 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.411 -10.757 -13.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.241 -10.899 -14.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.329 -11.919 -14.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.873 -10.440 -15.640 1.00 0.00 H new ATOM 620 N ALA A 68 -6.313 -7.736 -10.882 1.00 0.00 N ATOM 621 CA ALA A 68 -6.549 -8.200 -9.509 1.00 0.00 C ATOM 622 C ALA A 68 -7.865 -7.664 -8.910 1.00 0.00 C ATOM 623 O ALA A 68 -8.590 -8.387 -8.225 1.00 0.00 O ATOM 624 CB ALA A 68 -5.360 -7.788 -8.637 1.00 0.00 C ATOM 0 H ALA A 68 -5.503 -7.122 -10.967 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.647 -9.285 -9.536 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.524 -8.127 -7.614 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.448 -8.240 -9.028 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.260 -6.703 -8.647 1.00 0.00 H new ATOM 630 N LEU A 69 -8.213 -6.410 -9.213 1.00 0.00 N ATOM 631 CA LEU A 69 -9.366 -5.693 -8.682 1.00 0.00 C ATOM 632 C LEU A 69 -10.719 -6.275 -9.124 1.00 0.00 C ATOM 633 O LEU A 69 -11.744 -6.036 -8.485 1.00 0.00 O ATOM 634 CB LEU A 69 -9.202 -4.217 -9.063 1.00 0.00 C ATOM 635 CG LEU A 69 -8.408 -3.404 -8.022 1.00 0.00 C ATOM 636 CD1 LEU A 69 -8.059 -2.025 -8.572 1.00 0.00 C ATOM 637 CD2 LEU A 69 -9.219 -3.205 -6.741 1.00 0.00 C ATOM 0 H LEU A 69 -7.670 -5.845 -9.866 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.388 -5.804 -7.598 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.697 -4.152 -10.027 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.188 -3.769 -9.188 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.501 -3.967 -7.802 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.499 -1.466 -7.823 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.453 -2.135 -9.471 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.976 -1.488 -8.815 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.633 -2.628 -6.025 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.139 -2.669 -6.973 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.464 -4.176 -6.311 1.00 0.00 H new ATOM 649 N ARG A 70 -10.707 -7.109 -10.165 1.00 0.00 N ATOM 650 CA ARG A 70 -11.838 -7.954 -10.550 1.00 0.00 C ATOM 651 C ARG A 70 -12.277 -8.945 -9.445 1.00 0.00 C ATOM 652 O ARG A 70 -13.448 -9.328 -9.397 1.00 0.00 O ATOM 653 CB ARG A 70 -11.512 -8.735 -11.837 1.00 0.00 C ATOM 654 CG ARG A 70 -11.193 -7.825 -13.034 1.00 0.00 C ATOM 655 CD ARG A 70 -10.940 -8.650 -14.303 1.00 0.00 C ATOM 656 NE ARG A 70 -10.556 -7.794 -15.440 1.00 0.00 N ATOM 657 CZ ARG A 70 -11.357 -7.104 -16.238 1.00 0.00 C ATOM 658 NH1 ARG A 70 -12.655 -7.096 -16.097 1.00 0.00 N ATOM 659 NH2 ARG A 70 -10.857 -6.393 -17.211 1.00 0.00 N ATOM 0 H ARG A 70 -9.897 -7.218 -10.775 1.00 0.00 H new ATOM 0 HA ARG A 70 -12.674 -7.275 -10.719 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.661 -9.391 -11.651 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -12.358 -9.374 -12.090 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.022 -7.137 -13.203 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.316 -7.218 -12.810 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.152 -9.378 -14.113 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.839 -9.212 -14.557 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.557 -7.725 -15.635 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.090 -7.636 -15.349 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.234 -6.550 -16.735 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.848 -6.368 -17.358 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.475 -5.862 -17.825 1.00 0.00 H new ATOM 673 N LYS A 71 -11.350 -9.382 -8.577 1.00 0.00 N ATOM 674 CA LYS A 71 -11.546 -10.498 -7.634 1.00 0.00 C ATOM 675 C LYS A 71 -10.564 -10.505 -6.429 1.00 0.00 C ATOM 676 O LYS A 71 -9.973 -11.536 -6.095 1.00 0.00 O ATOM 677 CB LYS A 71 -11.576 -11.835 -8.410 1.00 0.00 C ATOM 678 CG LYS A 71 -10.329 -12.128 -9.264 1.00 0.00 C ATOM 679 CD LYS A 71 -10.494 -13.471 -9.992 1.00 0.00 C ATOM 680 CE LYS A 71 -9.276 -13.766 -10.876 1.00 0.00 C ATOM 681 NZ LYS A 71 -9.423 -15.049 -11.599 1.00 0.00 N ATOM 0 H LYS A 71 -10.423 -8.961 -8.509 1.00 0.00 H new ATOM 0 HA LYS A 71 -12.515 -10.352 -7.157 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.706 -12.648 -7.696 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.451 -11.839 -9.060 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.179 -11.328 -9.989 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.442 -12.155 -8.630 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.622 -14.271 -9.263 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.396 -13.450 -10.604 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.143 -12.957 -11.594 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.378 -13.796 -10.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.581 -15.215 -12.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.525 -15.824 -10.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.266 -15.011 -12.206 1.00 0.00 H new ATOM 695 N ILE A 72 -10.388 -9.359 -5.755 1.00 0.00 N ATOM 696 CA ILE A 72 -9.583 -9.225 -4.511 1.00 0.00 C ATOM 697 C ILE A 72 -9.934 -10.281 -3.431 1.00 0.00 C ATOM 698 O ILE A 72 -9.032 -10.809 -2.774 1.00 0.00 O ATOM 699 CB ILE A 72 -9.717 -7.789 -3.948 1.00 0.00 C ATOM 700 CG1 ILE A 72 -9.226 -6.723 -4.948 1.00 0.00 C ATOM 701 CG2 ILE A 72 -8.995 -7.584 -2.603 1.00 0.00 C ATOM 702 CD1 ILE A 72 -7.741 -6.792 -5.347 1.00 0.00 C ATOM 0 H ILE A 72 -10.805 -8.478 -6.057 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.545 -9.415 -4.783 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.786 -7.663 -3.778 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.827 -6.802 -5.854 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.420 -5.739 -4.521 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.132 -6.555 -2.270 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.410 -8.265 -1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.931 -7.787 -2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.516 -5.993 -6.053 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.120 -6.677 -4.459 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.534 -7.756 -5.812 1.00 0.00 H new ATOM 714 N GLU A 73 -11.232 -10.620 -3.311 1.00 0.00 N ATOM 715 CA GLU A 73 -11.846 -11.627 -2.412 1.00 0.00 C ATOM 716 C GLU A 73 -11.291 -11.605 -0.976 1.00 0.00 C ATOM 717 O GLU A 73 -11.654 -10.657 -0.245 1.00 0.00 O ATOM 718 CB GLU A 73 -11.799 -13.012 -3.088 1.00 0.00 C ATOM 719 CG GLU A 73 -12.707 -14.073 -2.456 1.00 0.00 C ATOM 720 CD GLU A 73 -14.184 -13.749 -2.647 1.00 0.00 C ATOM 721 OE1 GLU A 73 -14.694 -13.943 -3.774 1.00 0.00 O ATOM 722 OE2 GLU A 73 -14.839 -13.337 -1.664 1.00 0.00 O ATOM 0 H GLU A 73 -11.939 -10.162 -3.885 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.893 -11.361 -2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.075 -12.897 -4.136 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.772 -13.375 -3.067 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.489 -15.046 -2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.488 -14.150 -1.391 1.00 0.00 H new TER 729 GLU A 73 ATOM 730 N THR B 31 15.612 7.013 -6.416 1.00 0.00 N ATOM 731 CA THR B 31 14.426 6.193 -6.624 1.00 0.00 C ATOM 732 C THR B 31 13.824 6.299 -8.026 1.00 0.00 C ATOM 733 O THR B 31 13.899 7.319 -8.719 1.00 0.00 O ATOM 734 CB THR B 31 13.350 6.478 -5.557 1.00 0.00 C ATOM 735 OG1 THR B 31 12.249 5.609 -5.669 1.00 0.00 O ATOM 736 CG2 THR B 31 12.798 7.907 -5.569 1.00 0.00 C ATOM 0 HA THR B 31 14.775 5.165 -6.521 1.00 0.00 H new ATOM 0 HB THR B 31 13.885 6.321 -4.620 1.00 0.00 H new ATOM 0 HG1 THR B 31 12.552 4.739 -6.004 1.00 0.00 H new ATOM 0 HG21 THR B 31 12.048 8.014 -4.785 1.00 0.00 H new ATOM 0 HG22 THR B 31 13.610 8.612 -5.393 1.00 0.00 H new ATOM 0 HG23 THR B 31 12.343 8.113 -6.538 1.00 0.00 H new ATOM 744 N ARG B 32 13.183 5.209 -8.414 1.00 0.00 N ATOM 745 CA ARG B 32 12.385 5.086 -9.634 1.00 0.00 C ATOM 746 C ARG B 32 10.937 5.560 -9.408 1.00 0.00 C ATOM 747 O ARG B 32 10.105 4.839 -8.852 1.00 0.00 O ATOM 748 CB ARG B 32 12.416 3.642 -10.158 1.00 0.00 C ATOM 749 CG ARG B 32 13.818 3.084 -10.442 1.00 0.00 C ATOM 750 CD ARG B 32 14.607 3.921 -11.457 1.00 0.00 C ATOM 751 NE ARG B 32 15.865 3.254 -11.832 1.00 0.00 N ATOM 752 CZ ARG B 32 16.019 2.311 -12.747 1.00 0.00 C ATOM 753 NH1 ARG B 32 15.018 1.835 -13.431 1.00 0.00 N ATOM 754 NH2 ARG B 32 17.194 1.805 -12.995 1.00 0.00 N ATOM 0 H ARG B 32 13.202 4.347 -7.869 1.00 0.00 H new ATOM 0 HA ARG B 32 12.828 5.734 -10.390 1.00 0.00 H new ATOM 0 HB2 ARG B 32 11.925 2.997 -9.429 1.00 0.00 H new ATOM 0 HB3 ARG B 32 11.829 3.592 -11.075 1.00 0.00 H new ATOM 0 HG2 ARG B 32 14.378 3.034 -9.508 1.00 0.00 H new ATOM 0 HG3 ARG B 32 13.727 2.064 -10.814 1.00 0.00 H new ATOM 0 HD2 ARG B 32 14.000 4.086 -12.347 1.00 0.00 H new ATOM 0 HD3 ARG B 32 14.824 4.902 -11.034 1.00 0.00 H new ATOM 0 HE ARG B 32 16.705 3.550 -11.335 1.00 0.00 H new ATOM 0 HH11 ARG B 32 14.075 2.189 -13.269 1.00 0.00 H new ATOM 0 HH12 ARG B 32 15.177 1.108 -14.128 1.00 0.00 H new ATOM 0 HH21 ARG B 32 18.010 2.135 -12.481 1.00 0.00 H new ATOM 0 HH22 ARG B 32 17.297 1.078 -13.703 1.00 0.00 H new ATOM 768 N ALA B 33 10.629 6.778 -9.854 1.00 0.00 N ATOM 769 CA ALA B 33 9.271 7.300 -9.934 1.00 0.00 C ATOM 770 C ALA B 33 8.394 6.432 -10.861 1.00 0.00 C ATOM 771 O ALA B 33 8.682 6.246 -12.046 1.00 0.00 O ATOM 772 CB ALA B 33 9.317 8.758 -10.406 1.00 0.00 C ATOM 0 H ALA B 33 11.334 7.441 -10.176 1.00 0.00 H new ATOM 0 HA ALA B 33 8.815 7.265 -8.945 1.00 0.00 H new ATOM 0 HB1 ALA B 33 8.303 9.153 -10.467 1.00 0.00 H new ATOM 0 HB2 ALA B 33 9.895 9.352 -9.698 1.00 0.00 H new ATOM 0 HB3 ALA B 33 9.786 8.808 -11.389 1.00 0.00 H new ATOM 778 N VAL B 34 7.303 5.931 -10.297 1.00 0.00 N ATOM 779 CA VAL B 34 6.259 5.116 -10.943 1.00 0.00 C ATOM 780 C VAL B 34 4.909 5.781 -10.704 1.00 0.00 C ATOM 781 O VAL B 34 4.245 5.536 -9.700 1.00 0.00 O ATOM 782 CB VAL B 34 6.268 3.645 -10.474 1.00 0.00 C ATOM 783 CG1 VAL B 34 5.162 2.817 -11.145 1.00 0.00 C ATOM 784 CG2 VAL B 34 7.594 2.958 -10.825 1.00 0.00 C ATOM 0 H VAL B 34 7.102 6.089 -9.310 1.00 0.00 H new ATOM 0 HA VAL B 34 6.463 5.072 -12.013 1.00 0.00 H new ATOM 0 HB VAL B 34 6.114 3.683 -9.396 1.00 0.00 H new ATOM 0 HG11 VAL B 34 5.207 1.789 -10.785 1.00 0.00 H new ATOM 0 HG12 VAL B 34 4.189 3.244 -10.902 1.00 0.00 H new ATOM 0 HG13 VAL B 34 5.303 2.829 -12.226 1.00 0.00 H new ATOM 0 HG21 VAL B 34 7.570 1.924 -10.482 1.00 0.00 H new ATOM 0 HG22 VAL B 34 7.740 2.979 -11.905 1.00 0.00 H new ATOM 0 HG23 VAL B 34 8.416 3.483 -10.338 1.00 0.00 H new ATOM 794 N SER B 35 4.546 6.684 -11.611 1.00 0.00 N ATOM 795 CA SER B 35 3.312 7.469 -11.540 1.00 0.00 C ATOM 796 C SER B 35 2.223 6.922 -12.467 1.00 0.00 C ATOM 797 O SER B 35 2.479 6.567 -13.622 1.00 0.00 O ATOM 798 CB SER B 35 3.600 8.942 -11.833 1.00 0.00 C ATOM 799 OG SER B 35 2.456 9.734 -11.562 1.00 0.00 O ATOM 0 H SER B 35 5.111 6.896 -12.433 1.00 0.00 H new ATOM 0 HA SER B 35 2.927 7.385 -10.524 1.00 0.00 H new ATOM 0 HB2 SER B 35 4.438 9.283 -11.225 1.00 0.00 H new ATOM 0 HB3 SER B 35 3.893 9.061 -12.876 1.00 0.00 H new ATOM 0 HG SER B 35 2.656 10.674 -11.753 1.00 0.00 H new ATOM 805 N LEU B 36 1.005 6.849 -11.936 1.00 0.00 N ATOM 806 CA LEU B 36 -0.161 6.197 -12.523 1.00 0.00 C ATOM 807 C LEU B 36 -1.336 7.182 -12.597 1.00 0.00 C ATOM 808 O LEU B 36 -1.425 8.137 -11.821 1.00 0.00 O ATOM 809 CB LEU B 36 -0.557 4.974 -11.666 1.00 0.00 C ATOM 810 CG LEU B 36 0.576 3.991 -11.314 1.00 0.00 C ATOM 811 CD1 LEU B 36 0.028 2.891 -10.407 1.00 0.00 C ATOM 812 CD2 LEU B 36 1.180 3.344 -12.558 1.00 0.00 C ATOM 0 H LEU B 36 0.794 7.269 -11.031 1.00 0.00 H new ATOM 0 HA LEU B 36 0.086 5.867 -13.532 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.997 5.336 -10.737 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.335 4.424 -12.194 1.00 0.00 H new ATOM 0 HG LEU B 36 1.359 4.558 -10.810 1.00 0.00 H new ATOM 0 HD11 LEU B 36 0.828 2.194 -10.156 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -0.366 3.336 -9.493 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -0.770 2.357 -10.924 1.00 0.00 H new ATOM 0 HD21 LEU B 36 1.975 2.659 -12.262 1.00 0.00 H new ATOM 0 HD22 LEU B 36 0.407 2.793 -13.094 1.00 0.00 H new ATOM 0 HD23 LEU B 36 1.591 4.117 -13.207 1.00 0.00 H new ATOM 824 N TYR B 37 -2.260 6.901 -13.513 1.00 0.00 N ATOM 825 CA TYR B 37 -3.408 7.750 -13.841 1.00 0.00 C ATOM 826 C TYR B 37 -4.682 6.908 -13.900 1.00 0.00 C ATOM 827 O TYR B 37 -5.114 6.436 -14.957 1.00 0.00 O ATOM 828 CB TYR B 37 -3.126 8.537 -15.131 1.00 0.00 C ATOM 829 CG TYR B 37 -1.987 9.529 -14.973 1.00 0.00 C ATOM 830 CD1 TYR B 37 -2.210 10.750 -14.307 1.00 0.00 C ATOM 831 CD2 TYR B 37 -0.695 9.212 -15.438 1.00 0.00 C ATOM 832 CE1 TYR B 37 -1.146 11.649 -14.108 1.00 0.00 C ATOM 833 CE2 TYR B 37 0.367 10.113 -15.236 1.00 0.00 C ATOM 834 CZ TYR B 37 0.142 11.330 -14.570 1.00 0.00 C ATOM 835 OH TYR B 37 1.167 12.206 -14.372 1.00 0.00 O ATOM 0 H TYR B 37 -2.231 6.046 -14.068 1.00 0.00 H new ATOM 0 HA TYR B 37 -3.568 8.491 -13.058 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -2.886 7.839 -15.933 1.00 0.00 H new ATOM 0 HB3 TYR B 37 -4.028 9.070 -15.432 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -3.199 10.996 -13.949 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -0.520 8.277 -15.950 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -1.320 12.586 -13.599 1.00 0.00 H new ATOM 0 HE2 TYR B 37 1.357 9.869 -15.593 1.00 0.00 H new ATOM 0 HH TYR B 37 1.992 11.835 -14.750 1.00 0.00 H new ATOM 845 N PHE B 38 -5.229 6.627 -12.721 1.00 0.00 N ATOM 846 CA PHE B 38 -6.560 6.088 -12.533 1.00 0.00 C ATOM 847 C PHE B 38 -7.645 7.132 -12.869 1.00 0.00 C ATOM 848 O PHE B 38 -7.366 8.312 -13.099 1.00 0.00 O ATOM 849 CB PHE B 38 -6.637 5.682 -11.056 1.00 0.00 C ATOM 850 CG PHE B 38 -5.666 4.596 -10.627 1.00 0.00 C ATOM 851 CD1 PHE B 38 -5.722 3.312 -11.203 1.00 0.00 C ATOM 852 CD2 PHE B 38 -4.710 4.868 -9.630 1.00 0.00 C ATOM 853 CE1 PHE B 38 -4.824 2.313 -10.787 1.00 0.00 C ATOM 854 CE2 PHE B 38 -3.814 3.867 -9.217 1.00 0.00 C ATOM 855 CZ PHE B 38 -3.862 2.593 -9.804 1.00 0.00 C ATOM 0 H PHE B 38 -4.734 6.776 -11.842 1.00 0.00 H new ATOM 0 HA PHE B 38 -6.739 5.242 -13.197 1.00 0.00 H new ATOM 0 HB2 PHE B 38 -6.460 6.566 -10.444 1.00 0.00 H new ATOM 0 HB3 PHE B 38 -7.651 5.344 -10.842 1.00 0.00 H new ATOM 0 HD1 PHE B 38 -6.456 3.094 -11.965 1.00 0.00 H new ATOM 0 HD2 PHE B 38 -4.665 5.849 -9.181 1.00 0.00 H new ATOM 0 HE1 PHE B 38 -4.875 1.327 -11.225 1.00 0.00 H new ATOM 0 HE2 PHE B 38 -3.087 4.079 -8.447 1.00 0.00 H new ATOM 0 HZ PHE B 38 -3.161 1.830 -9.500 1.00 0.00 H new ATOM 865 N SER B 39 -8.903 6.717 -12.789 1.00 0.00 N ATOM 866 CA SER B 39 -10.044 7.614 -12.586 1.00 0.00 C ATOM 867 C SER B 39 -10.875 7.146 -11.379 1.00 0.00 C ATOM 868 O SER B 39 -10.503 6.168 -10.714 1.00 0.00 O ATOM 869 CB SER B 39 -10.836 7.756 -13.896 1.00 0.00 C ATOM 870 OG SER B 39 -11.792 8.801 -13.811 1.00 0.00 O ATOM 0 H SER B 39 -9.168 5.735 -12.864 1.00 0.00 H new ATOM 0 HA SER B 39 -9.706 8.619 -12.335 1.00 0.00 H new ATOM 0 HB2 SER B 39 -10.149 7.955 -14.719 1.00 0.00 H new ATOM 0 HB3 SER B 39 -11.340 6.817 -14.122 1.00 0.00 H new ATOM 0 HG SER B 39 -12.279 8.869 -14.659 1.00 0.00 H new ATOM 876 N ASP B 40 -11.943 7.878 -11.043 1.00 0.00 N ATOM 877 CA ASP B 40 -12.615 7.859 -9.730 1.00 0.00 C ATOM 878 C ASP B 40 -12.867 6.457 -9.166 1.00 0.00 C ATOM 879 O ASP B 40 -12.543 6.197 -8.008 1.00 0.00 O ATOM 880 CB ASP B 40 -13.945 8.639 -9.804 1.00 0.00 C ATOM 881 CG ASP B 40 -13.790 10.150 -10.076 1.00 0.00 C ATOM 882 OD1 ASP B 40 -12.930 10.797 -9.432 1.00 0.00 O ATOM 883 OD2 ASP B 40 -14.555 10.693 -10.910 1.00 0.00 O ATOM 0 H ASP B 40 -12.382 8.525 -11.698 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.923 8.340 -9.039 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -14.563 8.204 -10.589 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -14.482 8.506 -8.865 1.00 0.00 H new ATOM 888 N GLU B 41 -13.411 5.541 -9.973 1.00 0.00 N ATOM 889 CA GLU B 41 -13.720 4.152 -9.561 1.00 0.00 C ATOM 890 C GLU B 41 -12.476 3.378 -9.148 1.00 0.00 C ATOM 891 O GLU B 41 -12.381 2.890 -8.028 1.00 0.00 O ATOM 892 CB GLU B 41 -14.428 3.362 -10.675 1.00 0.00 C ATOM 893 CG GLU B 41 -15.620 4.130 -11.224 1.00 0.00 C ATOM 894 CD GLU B 41 -16.546 3.202 -11.998 1.00 0.00 C ATOM 895 OE1 GLU B 41 -16.271 2.950 -13.193 1.00 0.00 O ATOM 896 OE2 GLU B 41 -17.550 2.737 -11.414 1.00 0.00 O ATOM 0 H GLU B 41 -13.655 5.737 -10.944 1.00 0.00 H new ATOM 0 HA GLU B 41 -14.384 4.251 -8.702 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -13.724 3.155 -11.481 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -14.760 2.399 -10.286 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -16.167 4.597 -10.405 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -15.274 4.933 -11.875 1.00 0.00 H new ATOM 903 N GLN B 42 -11.499 3.320 -10.046 1.00 0.00 N ATOM 904 CA GLN B 42 -10.224 2.593 -9.856 1.00 0.00 C ATOM 905 C GLN B 42 -9.383 3.153 -8.695 1.00 0.00 C ATOM 906 O GLN B 42 -8.777 2.399 -7.932 1.00 0.00 O ATOM 907 CB GLN B 42 -9.399 2.596 -11.152 1.00 0.00 C ATOM 908 CG GLN B 42 -10.090 1.892 -12.332 1.00 0.00 C ATOM 909 CD GLN B 42 -10.358 0.415 -12.093 1.00 0.00 C ATOM 910 OE1 GLN B 42 -9.632 -0.279 -11.398 1.00 0.00 O ATOM 911 NE2 GLN B 42 -11.414 -0.114 -12.673 1.00 0.00 N ATOM 0 H GLN B 42 -11.561 3.784 -10.952 1.00 0.00 H new ATOM 0 HA GLN B 42 -10.489 1.568 -9.596 1.00 0.00 H new ATOM 0 HB2 GLN B 42 -9.184 3.627 -11.432 1.00 0.00 H new ATOM 0 HB3 GLN B 42 -8.441 2.111 -10.963 1.00 0.00 H new ATOM 0 HG2 GLN B 42 -11.035 2.394 -12.540 1.00 0.00 H new ATOM 0 HG3 GLN B 42 -9.469 2.000 -13.221 1.00 0.00 H new ATOM 0 HE21 GLN B 42 -12.021 0.465 -13.254 1.00 0.00 H new ATOM 0 HE22 GLN B 42 -11.626 -1.103 -12.542 1.00 0.00 H new ATOM 920 N TYR B 43 -9.406 4.474 -8.507 1.00 0.00 N ATOM 921 CA TYR B 43 -8.783 5.158 -7.372 1.00 0.00 C ATOM 922 C TYR B 43 -9.442 4.766 -6.041 1.00 0.00 C ATOM 923 O TYR B 43 -8.770 4.379 -5.084 1.00 0.00 O ATOM 924 CB TYR B 43 -8.914 6.663 -7.617 1.00 0.00 C ATOM 925 CG TYR B 43 -8.356 7.541 -6.516 1.00 0.00 C ATOM 926 CD1 TYR B 43 -6.980 7.823 -6.481 1.00 0.00 C ATOM 927 CD2 TYR B 43 -9.214 8.117 -5.559 1.00 0.00 C ATOM 928 CE1 TYR B 43 -6.471 8.718 -5.523 1.00 0.00 C ATOM 929 CE2 TYR B 43 -8.695 8.986 -4.580 1.00 0.00 C ATOM 930 CZ TYR B 43 -7.324 9.293 -4.569 1.00 0.00 C ATOM 931 OH TYR B 43 -6.819 10.159 -3.646 1.00 0.00 O ATOM 0 H TYR B 43 -9.869 5.112 -9.154 1.00 0.00 H new ATOM 0 HA TYR B 43 -7.735 4.867 -7.295 1.00 0.00 H new ATOM 0 HB2 TYR B 43 -8.407 6.910 -8.550 1.00 0.00 H new ATOM 0 HB3 TYR B 43 -9.968 6.903 -7.754 1.00 0.00 H new ATOM 0 HD1 TYR B 43 -6.314 7.353 -7.189 1.00 0.00 H new ATOM 0 HD2 TYR B 43 -10.270 7.892 -5.576 1.00 0.00 H new ATOM 0 HE1 TYR B 43 -5.419 8.964 -5.522 1.00 0.00 H new ATOM 0 HE2 TYR B 43 -9.351 9.416 -3.838 1.00 0.00 H new ATOM 0 HH TYR B 43 -7.540 10.469 -3.059 1.00 0.00 H new ATOM 941 N GLN B 44 -10.776 4.789 -6.006 1.00 0.00 N ATOM 942 CA GLN B 44 -11.580 4.416 -4.835 1.00 0.00 C ATOM 943 C GLN B 44 -11.465 2.930 -4.486 1.00 0.00 C ATOM 944 O GLN B 44 -11.420 2.567 -3.316 1.00 0.00 O ATOM 945 CB GLN B 44 -13.054 4.756 -5.065 1.00 0.00 C ATOM 946 CG GLN B 44 -13.329 6.247 -4.845 1.00 0.00 C ATOM 947 CD GLN B 44 -14.745 6.602 -5.234 1.00 0.00 C ATOM 948 OE1 GLN B 44 -15.619 6.790 -4.396 1.00 0.00 O ATOM 949 NE2 GLN B 44 -15.010 6.694 -6.518 1.00 0.00 N ATOM 0 H GLN B 44 -11.341 5.073 -6.806 1.00 0.00 H new ATOM 0 HA GLN B 44 -11.184 4.991 -3.998 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -13.338 4.479 -6.080 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -13.674 4.167 -4.389 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -13.162 6.500 -3.798 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -12.628 6.840 -5.432 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -14.272 6.535 -7.204 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -15.954 6.925 -6.829 1.00 0.00 H new ATOM 958 N LYS B 45 -11.360 2.068 -5.491 1.00 0.00 N ATOM 959 CA LYS B 45 -11.067 0.645 -5.349 1.00 0.00 C ATOM 960 C LYS B 45 -9.733 0.401 -4.617 1.00 0.00 C ATOM 961 O LYS B 45 -9.682 -0.424 -3.700 1.00 0.00 O ATOM 962 CB LYS B 45 -11.069 0.010 -6.751 1.00 0.00 C ATOM 963 CG LYS B 45 -12.282 -0.897 -7.030 1.00 0.00 C ATOM 964 CD LYS B 45 -13.587 -0.101 -7.213 1.00 0.00 C ATOM 965 CE LYS B 45 -14.793 -0.980 -7.580 1.00 0.00 C ATOM 966 NZ LYS B 45 -15.272 -1.810 -6.452 1.00 0.00 N ATOM 0 H LYS B 45 -11.481 2.351 -6.464 1.00 0.00 H new ATOM 0 HA LYS B 45 -11.835 0.178 -4.732 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -11.043 0.804 -7.497 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -10.157 -0.574 -6.875 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -12.092 -1.486 -7.927 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -12.402 -1.600 -6.206 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -13.807 0.438 -6.292 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -13.441 0.647 -7.993 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -15.607 -0.343 -7.926 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -14.521 -1.630 -8.412 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -16.085 -2.380 -6.761 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -14.508 -2.441 -6.136 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -15.560 -1.194 -5.665 1.00 0.00 H new ATOM 980 N LEU B 46 -8.672 1.152 -4.947 1.00 0.00 N ATOM 981 CA LEU B 46 -7.400 1.051 -4.228 1.00 0.00 C ATOM 982 C LEU B 46 -7.427 1.732 -2.847 1.00 0.00 C ATOM 983 O LEU B 46 -6.811 1.229 -1.910 1.00 0.00 O ATOM 984 CB LEU B 46 -6.245 1.550 -5.110 1.00 0.00 C ATOM 985 CG LEU B 46 -5.734 0.552 -6.176 1.00 0.00 C ATOM 986 CD1 LEU B 46 -4.371 0.968 -6.738 1.00 0.00 C ATOM 987 CD2 LEU B 46 -5.543 -0.868 -5.639 1.00 0.00 C ATOM 0 H LEU B 46 -8.672 1.834 -5.706 1.00 0.00 H new ATOM 0 HA LEU B 46 -7.230 -0.005 -4.016 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -6.566 2.461 -5.616 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -5.410 1.822 -4.464 1.00 0.00 H new ATOM 0 HG LEU B 46 -6.511 0.565 -6.940 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -4.048 0.241 -7.483 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -4.453 1.951 -7.202 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -3.641 1.008 -5.930 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -5.183 -1.514 -6.440 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -4.815 -0.855 -4.828 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -6.495 -1.247 -5.266 1.00 0.00 H new ATOM 999 N GLU B 47 -8.198 2.808 -2.672 1.00 0.00 N ATOM 1000 CA GLU B 47 -8.465 3.420 -1.351 1.00 0.00 C ATOM 1001 C GLU B 47 -9.251 2.510 -0.405 1.00 0.00 C ATOM 1002 O GLU B 47 -8.925 2.421 0.775 1.00 0.00 O ATOM 1003 CB GLU B 47 -9.168 4.773 -1.513 1.00 0.00 C ATOM 1004 CG GLU B 47 -9.182 5.588 -0.222 1.00 0.00 C ATOM 1005 CD GLU B 47 -9.869 6.925 -0.462 1.00 0.00 C ATOM 1006 OE1 GLU B 47 -11.120 6.963 -0.440 1.00 0.00 O ATOM 1007 OE2 GLU B 47 -9.158 7.937 -0.652 1.00 0.00 O ATOM 0 H GLU B 47 -8.662 3.289 -3.443 1.00 0.00 H new ATOM 0 HA GLU B 47 -7.492 3.575 -0.884 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -8.669 5.346 -2.294 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -10.193 4.608 -1.845 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -9.703 5.037 0.561 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -8.162 5.750 0.127 1.00 0.00 H new ATOM 1014 N LYS B 48 -10.227 1.762 -0.916 1.00 0.00 N ATOM 1015 CA LYS B 48 -10.998 0.777 -0.153 1.00 0.00 C ATOM 1016 C LYS B 48 -10.110 -0.388 0.322 1.00 0.00 C ATOM 1017 O LYS B 48 -10.235 -0.855 1.454 1.00 0.00 O ATOM 1018 CB LYS B 48 -12.194 0.306 -1.004 1.00 0.00 C ATOM 1019 CG LYS B 48 -13.273 -0.474 -0.225 1.00 0.00 C ATOM 1020 CD LYS B 48 -13.081 -1.999 -0.112 1.00 0.00 C ATOM 1021 CE LYS B 48 -13.171 -2.704 -1.473 1.00 0.00 C ATOM 1022 NZ LYS B 48 -13.143 -4.177 -1.333 1.00 0.00 N ATOM 0 H LYS B 48 -10.512 1.824 -1.894 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.386 1.240 0.754 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -12.658 1.177 -1.467 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -11.822 -0.324 -1.812 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -13.328 -0.063 0.783 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -14.236 -0.287 -0.699 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -12.111 -2.208 0.338 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -13.838 -2.409 0.557 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -14.090 -2.404 -1.977 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -12.342 -2.383 -2.104 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -13.206 -4.616 -2.274 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -12.255 -4.465 -0.875 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -13.949 -4.486 -0.752 1.00 0.00 H new ATOM 1036 N MET B 49 -9.156 -0.810 -0.511 1.00 0.00 N ATOM 1037 CA MET B 49 -8.085 -1.732 -0.151 1.00 0.00 C ATOM 1038 C MET B 49 -7.143 -1.126 0.909 1.00 0.00 C ATOM 1039 O MET B 49 -6.900 -1.734 1.951 1.00 0.00 O ATOM 1040 CB MET B 49 -7.335 -2.062 -1.448 1.00 0.00 C ATOM 1041 CG MET B 49 -7.797 -3.381 -2.072 1.00 0.00 C ATOM 1042 SD MET B 49 -7.291 -3.615 -3.799 1.00 0.00 S ATOM 1043 CE MET B 49 -5.486 -3.638 -3.656 1.00 0.00 C ATOM 0 H MET B 49 -9.109 -0.508 -1.484 1.00 0.00 H new ATOM 0 HA MET B 49 -8.493 -2.636 0.301 1.00 0.00 H new ATOM 0 HB2 MET B 49 -7.481 -1.254 -2.164 1.00 0.00 H new ATOM 0 HB3 MET B 49 -6.266 -2.116 -1.242 1.00 0.00 H new ATOM 0 HG2 MET B 49 -7.406 -4.206 -1.477 1.00 0.00 H new ATOM 0 HG3 MET B 49 -8.884 -3.434 -2.015 1.00 0.00 H new ATOM 0 HE1 MET B 49 -5.045 -3.793 -4.641 1.00 0.00 H new ATOM 0 HE2 MET B 49 -5.141 -2.687 -3.249 1.00 0.00 H new ATOM 0 HE3 MET B 49 -5.184 -4.448 -2.992 1.00 0.00 H new ATOM 1053 N ALA B 50 -6.691 0.116 0.705 1.00 0.00 N ATOM 1054 CA ALA B 50 -5.825 0.843 1.638 1.00 0.00 C ATOM 1055 C ALA B 50 -6.461 1.055 3.026 1.00 0.00 C ATOM 1056 O ALA B 50 -5.769 1.036 4.041 1.00 0.00 O ATOM 1057 CB ALA B 50 -5.415 2.177 1.014 1.00 0.00 C ATOM 0 H ALA B 50 -6.922 0.654 -0.130 1.00 0.00 H new ATOM 0 HA ALA B 50 -4.943 0.226 1.811 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -4.771 2.720 1.706 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -4.876 1.994 0.085 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -6.305 2.770 0.806 1.00 0.00 H new ATOM 1063 N ASN B 51 -7.785 1.206 3.104 1.00 0.00 N ATOM 1064 CA ASN B 51 -8.551 1.317 4.351 1.00 0.00 C ATOM 1065 C ASN B 51 -8.377 0.100 5.294 1.00 0.00 C ATOM 1066 O ASN B 51 -8.554 0.227 6.507 1.00 0.00 O ATOM 1067 CB ASN B 51 -10.022 1.568 3.990 1.00 0.00 C ATOM 1068 CG ASN B 51 -10.882 1.883 5.207 1.00 0.00 C ATOM 1069 OD1 ASN B 51 -10.571 2.754 6.008 1.00 0.00 O ATOM 1070 ND2 ASN B 51 -11.992 1.190 5.378 1.00 0.00 N ATOM 0 H ASN B 51 -8.375 1.256 2.273 1.00 0.00 H new ATOM 0 HA ASN B 51 -8.161 2.158 4.925 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -10.082 2.396 3.284 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -10.423 0.689 3.485 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -12.593 1.380 6.180 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -12.249 0.465 4.708 1.00 0.00 H new ATOM 1077 N GLU B 52 -7.972 -1.064 4.761 1.00 0.00 N ATOM 1078 CA GLU B 52 -7.628 -2.270 5.542 1.00 0.00 C ATOM 1079 C GLU B 52 -6.319 -2.132 6.336 1.00 0.00 C ATOM 1080 O GLU B 52 -6.166 -2.738 7.396 1.00 0.00 O ATOM 1081 CB GLU B 52 -7.568 -3.513 4.638 1.00 0.00 C ATOM 1082 CG GLU B 52 -7.761 -4.805 5.433 1.00 0.00 C ATOM 1083 CD GLU B 52 -7.796 -6.013 4.507 1.00 0.00 C ATOM 1084 OE1 GLU B 52 -8.838 -6.232 3.849 1.00 0.00 O ATOM 1085 OE2 GLU B 52 -6.796 -6.768 4.474 1.00 0.00 O ATOM 0 H GLU B 52 -7.872 -1.199 3.755 1.00 0.00 H new ATOM 0 HA GLU B 52 -8.429 -2.389 6.272 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -8.338 -3.441 3.870 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -6.607 -3.543 4.124 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -6.951 -4.918 6.154 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -8.689 -4.751 6.002 1.00 0.00 H new ATOM 1092 N GLU B 53 -5.403 -1.283 5.855 1.00 0.00 N ATOM 1093 CA GLU B 53 -4.124 -0.900 6.506 1.00 0.00 C ATOM 1094 C GLU B 53 -4.200 0.453 7.228 1.00 0.00 C ATOM 1095 O GLU B 53 -3.386 0.724 8.111 1.00 0.00 O ATOM 1096 CB GLU B 53 -3.011 -0.896 5.447 1.00 0.00 C ATOM 1097 CG GLU B 53 -1.598 -0.690 5.986 1.00 0.00 C ATOM 1098 CD GLU B 53 -0.580 -0.924 4.877 1.00 0.00 C ATOM 1099 OE1 GLU B 53 -0.367 0.001 4.062 1.00 0.00 O ATOM 1100 OE2 GLU B 53 0.014 -2.024 4.839 1.00 0.00 O ATOM 0 H GLU B 53 -5.531 -0.816 4.957 1.00 0.00 H new ATOM 0 HA GLU B 53 -3.905 -1.636 7.279 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -3.042 -1.843 4.908 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -3.224 -0.110 4.723 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -1.494 0.321 6.380 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -1.412 -1.375 6.813 1.00 0.00 H new ATOM 1107 N GLU B 54 -5.210 1.258 6.869 1.00 0.00 N ATOM 1108 CA GLU B 54 -5.736 2.501 7.485 1.00 0.00 C ATOM 1109 C GLU B 54 -5.528 3.731 6.584 1.00 0.00 C ATOM 1110 O GLU B 54 -4.934 4.732 6.981 1.00 0.00 O ATOM 1111 CB GLU B 54 -5.306 2.725 8.950 1.00 0.00 C ATOM 1112 CG GLU B 54 -6.287 3.644 9.675 1.00 0.00 C ATOM 1113 CD GLU B 54 -5.793 3.927 11.088 1.00 0.00 C ATOM 1114 OE1 GLU B 54 -6.122 3.141 12.004 1.00 0.00 O ATOM 1115 OE2 GLU B 54 -5.092 4.945 11.284 1.00 0.00 O ATOM 0 H GLU B 54 -5.751 1.030 6.035 1.00 0.00 H new ATOM 0 HA GLU B 54 -6.813 2.351 7.557 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -5.250 1.767 9.467 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -4.307 3.160 8.977 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -6.395 4.579 9.125 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -7.273 3.180 9.712 1.00 0.00 H new ATOM 1122 N GLU B 55 -6.019 3.625 5.341 1.00 0.00 N ATOM 1123 CA GLU B 55 -6.087 4.680 4.299 1.00 0.00 C ATOM 1124 C GLU B 55 -4.779 5.452 4.096 1.00 0.00 C ATOM 1125 O GLU B 55 -4.635 6.630 4.419 1.00 0.00 O ATOM 1126 CB GLU B 55 -7.334 5.573 4.422 1.00 0.00 C ATOM 1127 CG GLU B 55 -7.557 6.255 5.774 1.00 0.00 C ATOM 1128 CD GLU B 55 -8.736 7.215 5.685 1.00 0.00 C ATOM 1129 OE1 GLU B 55 -8.514 8.404 5.359 1.00 0.00 O ATOM 1130 OE2 GLU B 55 -9.880 6.788 5.958 1.00 0.00 O ATOM 0 H GLU B 55 -6.407 2.743 5.006 1.00 0.00 H new ATOM 0 HA GLU B 55 -6.216 4.140 3.361 1.00 0.00 H new ATOM 0 HB2 GLU B 55 -7.277 6.346 3.656 1.00 0.00 H new ATOM 0 HB3 GLU B 55 -8.211 4.966 4.198 1.00 0.00 H new ATOM 0 HG2 GLU B 55 -7.745 5.505 6.542 1.00 0.00 H new ATOM 0 HG3 GLU B 55 -6.658 6.796 6.070 1.00 0.00 H new ATOM 1137 N SER B 56 -3.822 4.730 3.522 1.00 0.00 N ATOM 1138 CA SER B 56 -2.439 5.152 3.272 1.00 0.00 C ATOM 1139 C SER B 56 -2.063 4.800 1.820 1.00 0.00 C ATOM 1140 O SER B 56 -1.086 4.101 1.526 1.00 0.00 O ATOM 1141 CB SER B 56 -1.515 4.528 4.331 1.00 0.00 C ATOM 1142 OG SER B 56 -0.256 5.182 4.376 1.00 0.00 O ATOM 0 H SER B 56 -3.996 3.779 3.198 1.00 0.00 H new ATOM 0 HA SER B 56 -2.325 6.232 3.370 1.00 0.00 H new ATOM 0 HB2 SER B 56 -1.991 4.586 5.310 1.00 0.00 H new ATOM 0 HB3 SER B 56 -1.369 3.471 4.110 1.00 0.00 H new ATOM 0 HG SER B 56 0.306 4.762 5.060 1.00 0.00 H new ATOM 1148 N VAL B 57 -2.952 5.190 0.896 1.00 0.00 N ATOM 1149 CA VAL B 57 -2.864 4.872 -0.540 1.00 0.00 C ATOM 1150 C VAL B 57 -1.493 5.240 -1.124 1.00 0.00 C ATOM 1151 O VAL B 57 -0.983 6.346 -0.941 1.00 0.00 O ATOM 1152 CB VAL B 57 -3.963 5.540 -1.405 1.00 0.00 C ATOM 1153 CG1 VAL B 57 -5.177 4.627 -1.546 1.00 0.00 C ATOM 1154 CG2 VAL B 57 -4.464 6.876 -0.846 1.00 0.00 C ATOM 0 H VAL B 57 -3.773 5.749 1.130 1.00 0.00 H new ATOM 0 HA VAL B 57 -3.015 3.793 -0.584 1.00 0.00 H new ATOM 0 HB VAL B 57 -3.484 5.723 -2.367 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -5.933 5.119 -2.157 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -4.877 3.693 -2.022 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -5.589 4.415 -0.560 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -5.231 7.282 -1.506 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -4.885 6.720 0.147 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -3.633 7.578 -0.781 1.00 0.00 H new ATOM 1164 N GLY B 58 -0.895 4.272 -1.814 1.00 0.00 N ATOM 1165 CA GLY B 58 0.486 4.290 -2.310 1.00 0.00 C ATOM 1166 C GLY B 58 1.267 3.105 -1.747 1.00 0.00 C ATOM 1167 O GLY B 58 1.728 2.250 -2.496 1.00 0.00 O ATOM 0 H GLY B 58 -1.382 3.409 -2.056 1.00 0.00 H new ATOM 0 HA2 GLY B 58 0.489 4.252 -3.399 1.00 0.00 H new ATOM 0 HA3 GLY B 58 0.971 5.223 -2.023 1.00 0.00 H new ATOM 1171 N SER B 59 1.298 2.960 -0.424 1.00 0.00 N ATOM 1172 CA SER B 59 1.975 1.846 0.239 1.00 0.00 C ATOM 1173 C SER B 59 1.248 0.508 0.044 1.00 0.00 C ATOM 1174 O SER B 59 1.888 -0.490 -0.290 1.00 0.00 O ATOM 1175 CB SER B 59 2.101 2.160 1.731 1.00 0.00 C ATOM 1176 OG SER B 59 2.851 3.347 1.955 1.00 0.00 O ATOM 0 H SER B 59 0.853 3.613 0.221 1.00 0.00 H new ATOM 0 HA SER B 59 2.959 1.736 -0.216 1.00 0.00 H new ATOM 0 HB2 SER B 59 1.107 2.269 2.165 1.00 0.00 H new ATOM 0 HB3 SER B 59 2.581 1.324 2.240 1.00 0.00 H new ATOM 0 HG SER B 59 2.911 3.519 2.918 1.00 0.00 H new ATOM 1182 N TYR B 60 -0.089 0.486 0.151 1.00 0.00 N ATOM 1183 CA TYR B 60 -0.884 -0.729 -0.096 1.00 0.00 C ATOM 1184 C TYR B 60 -0.760 -1.204 -1.555 1.00 0.00 C ATOM 1185 O TYR B 60 -0.571 -2.382 -1.848 1.00 0.00 O ATOM 1186 CB TYR B 60 -2.357 -0.460 0.242 1.00 0.00 C ATOM 1187 CG TYR B 60 -3.139 -1.724 0.544 1.00 0.00 C ATOM 1188 CD1 TYR B 60 -3.660 -2.515 -0.498 1.00 0.00 C ATOM 1189 CD2 TYR B 60 -3.321 -2.127 1.880 1.00 0.00 C ATOM 1190 CE1 TYR B 60 -4.369 -3.695 -0.200 1.00 0.00 C ATOM 1191 CE2 TYR B 60 -4.032 -3.304 2.175 1.00 0.00 C ATOM 1192 CZ TYR B 60 -4.560 -4.085 1.136 1.00 0.00 C ATOM 1193 OH TYR B 60 -5.249 -5.223 1.427 1.00 0.00 O ATOM 0 H TYR B 60 -0.646 1.301 0.408 1.00 0.00 H new ATOM 0 HA TYR B 60 -0.496 -1.521 0.545 1.00 0.00 H new ATOM 0 HB2 TYR B 60 -2.410 0.207 1.102 1.00 0.00 H new ATOM 0 HB3 TYR B 60 -2.826 0.059 -0.594 1.00 0.00 H new ATOM 0 HD1 TYR B 60 -3.516 -2.217 -1.526 1.00 0.00 H new ATOM 0 HD2 TYR B 60 -2.913 -1.530 2.682 1.00 0.00 H new ATOM 0 HE1 TYR B 60 -4.767 -4.301 -1.000 1.00 0.00 H new ATOM 0 HE2 TYR B 60 -4.172 -3.607 3.202 1.00 0.00 H new ATOM 0 HH TYR B 60 -5.286 -5.343 2.399 1.00 0.00 H new ATOM 1203 N ILE B 61 -0.806 -0.231 -2.463 1.00 0.00 N ATOM 1204 CA ILE B 61 -0.673 -0.352 -3.918 1.00 0.00 C ATOM 1205 C ILE B 61 0.662 -1.012 -4.273 1.00 0.00 C ATOM 1206 O ILE B 61 0.696 -2.019 -4.985 1.00 0.00 O ATOM 1207 CB ILE B 61 -0.809 1.065 -4.538 1.00 0.00 C ATOM 1208 CG1 ILE B 61 -2.105 1.758 -4.044 1.00 0.00 C ATOM 1209 CG2 ILE B 61 -0.637 1.056 -6.072 1.00 0.00 C ATOM 1210 CD1 ILE B 61 -2.361 3.126 -4.677 1.00 0.00 C ATOM 0 H ILE B 61 -0.948 0.739 -2.181 1.00 0.00 H new ATOM 0 HA ILE B 61 -1.457 -0.990 -4.326 1.00 0.00 H new ATOM 0 HB ILE B 61 0.018 1.678 -4.180 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -2.954 1.108 -4.253 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -2.052 1.875 -2.962 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -0.741 2.071 -6.456 1.00 0.00 H new ATOM 0 HG22 ILE B 61 0.351 0.672 -6.325 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -1.400 0.419 -6.520 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -3.286 3.544 -4.279 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -1.532 3.795 -4.446 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -2.448 3.016 -5.758 1.00 0.00 H new ATOM 1222 N LYS B 62 1.753 -0.506 -3.692 1.00 0.00 N ATOM 1223 CA LYS B 62 3.069 -1.116 -3.812 1.00 0.00 C ATOM 1224 C LYS B 62 3.072 -2.545 -3.251 1.00 0.00 C ATOM 1225 O LYS B 62 3.409 -3.486 -3.966 1.00 0.00 O ATOM 1226 CB LYS B 62 4.102 -0.237 -3.078 1.00 0.00 C ATOM 1227 CG LYS B 62 5.396 0.015 -3.870 1.00 0.00 C ATOM 1228 CD LYS B 62 6.471 0.560 -2.917 1.00 0.00 C ATOM 1229 CE LYS B 62 7.757 0.948 -3.653 1.00 0.00 C ATOM 1230 NZ LYS B 62 8.800 1.407 -2.707 1.00 0.00 N ATOM 0 H LYS B 62 1.743 0.341 -3.124 1.00 0.00 H new ATOM 0 HA LYS B 62 3.334 -1.183 -4.867 1.00 0.00 H new ATOM 0 HB2 LYS B 62 3.642 0.723 -2.841 1.00 0.00 H new ATOM 0 HB3 LYS B 62 4.357 -0.711 -2.130 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.739 -0.910 -4.334 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.212 0.726 -4.675 1.00 0.00 H new ATOM 0 HD2 LYS B 62 6.079 1.430 -2.391 1.00 0.00 H new ATOM 0 HD3 LYS B 62 6.700 -0.192 -2.162 1.00 0.00 H new ATOM 0 HE2 LYS B 62 8.127 0.093 -4.219 1.00 0.00 H new ATOM 0 HE3 LYS B 62 7.543 1.738 -4.373 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 9.371 2.152 -3.155 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 8.349 1.785 -1.849 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 9.414 0.607 -2.452 1.00 0.00 H new ATOM 1244 N ARG B 63 2.628 -2.729 -2.003 1.00 0.00 N ATOM 1245 CA ARG B 63 2.569 -4.033 -1.326 1.00 0.00 C ATOM 1246 C ARG B 63 1.878 -5.103 -2.178 1.00 0.00 C ATOM 1247 O ARG B 63 2.363 -6.227 -2.264 1.00 0.00 O ATOM 1248 CB ARG B 63 1.851 -3.899 0.035 1.00 0.00 C ATOM 1249 CG ARG B 63 2.789 -3.988 1.247 1.00 0.00 C ATOM 1250 CD ARG B 63 3.292 -5.420 1.479 1.00 0.00 C ATOM 1251 NE ARG B 63 4.023 -5.523 2.756 1.00 0.00 N ATOM 1252 CZ ARG B 63 3.947 -6.497 3.651 1.00 0.00 C ATOM 1253 NH1 ARG B 63 3.199 -7.555 3.482 1.00 0.00 N ATOM 1254 NH2 ARG B 63 4.637 -6.426 4.756 1.00 0.00 N ATOM 0 H ARG B 63 2.292 -1.961 -1.422 1.00 0.00 H new ATOM 0 HA ARG B 63 3.598 -4.356 -1.167 1.00 0.00 H new ATOM 0 HB2 ARG B 63 1.325 -2.945 0.065 1.00 0.00 H new ATOM 0 HB3 ARG B 63 1.096 -4.681 0.115 1.00 0.00 H new ATOM 0 HG2 ARG B 63 3.640 -3.324 1.096 1.00 0.00 H new ATOM 0 HG3 ARG B 63 2.266 -3.638 2.137 1.00 0.00 H new ATOM 0 HD2 ARG B 63 2.448 -6.110 1.482 1.00 0.00 H new ATOM 0 HD3 ARG B 63 3.944 -5.718 0.658 1.00 0.00 H new ATOM 0 HE ARG B 63 4.660 -4.757 2.975 1.00 0.00 H new ATOM 0 HH11 ARG B 63 2.642 -7.656 2.633 1.00 0.00 H new ATOM 0 HH12 ARG B 63 3.172 -8.280 4.199 1.00 0.00 H new ATOM 0 HH21 ARG B 63 5.236 -5.620 4.932 1.00 0.00 H new ATOM 0 HH22 ARG B 63 4.577 -7.177 5.444 1.00 0.00 H new ATOM 1268 N TYR B 64 0.788 -4.755 -2.860 1.00 0.00 N ATOM 1269 CA TYR B 64 -0.011 -5.688 -3.656 1.00 0.00 C ATOM 1270 C TYR B 64 0.672 -6.111 -4.965 1.00 0.00 C ATOM 1271 O TYR B 64 0.671 -7.280 -5.349 1.00 0.00 O ATOM 1272 CB TYR B 64 -1.352 -5.023 -3.958 1.00 0.00 C ATOM 1273 CG TYR B 64 -2.488 -6.027 -3.967 1.00 0.00 C ATOM 1274 CD1 TYR B 64 -2.768 -6.785 -5.121 1.00 0.00 C ATOM 1275 CD2 TYR B 64 -3.196 -6.280 -2.776 1.00 0.00 C ATOM 1276 CE1 TYR B 64 -3.758 -7.785 -5.080 1.00 0.00 C ATOM 1277 CE2 TYR B 64 -4.198 -7.269 -2.746 1.00 0.00 C ATOM 1278 CZ TYR B 64 -4.475 -8.024 -3.896 1.00 0.00 C ATOM 1279 OH TYR B 64 -5.421 -9.005 -3.849 1.00 0.00 O ATOM 0 H TYR B 64 0.428 -3.801 -2.876 1.00 0.00 H new ATOM 0 HA TYR B 64 -0.140 -6.602 -3.076 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -1.553 -4.254 -3.212 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -1.301 -4.523 -4.925 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -2.224 -6.599 -6.035 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -2.970 -5.714 -1.884 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -3.967 -8.371 -5.963 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -4.754 -7.447 -1.837 1.00 0.00 H new ATOM 0 HH TYR B 64 -5.818 -9.034 -2.954 1.00 0.00 H new ATOM 1289 N ILE B 65 1.326 -5.149 -5.615 1.00 0.00 N ATOM 1290 CA ILE B 65 2.203 -5.377 -6.771 1.00 0.00 C ATOM 1291 C ILE B 65 3.382 -6.251 -6.360 1.00 0.00 C ATOM 1292 O ILE B 65 3.672 -7.236 -7.029 1.00 0.00 O ATOM 1293 CB ILE B 65 2.687 -4.042 -7.382 1.00 0.00 C ATOM 1294 CG1 ILE B 65 1.580 -3.361 -8.207 1.00 0.00 C ATOM 1295 CG2 ILE B 65 3.954 -4.181 -8.252 1.00 0.00 C ATOM 1296 CD1 ILE B 65 1.204 -4.095 -9.507 1.00 0.00 C ATOM 0 H ILE B 65 1.262 -4.166 -5.349 1.00 0.00 H new ATOM 0 HA ILE B 65 1.633 -5.896 -7.542 1.00 0.00 H new ATOM 0 HB ILE B 65 2.944 -3.420 -6.525 1.00 0.00 H new ATOM 0 HG12 ILE B 65 0.688 -3.268 -7.587 1.00 0.00 H new ATOM 0 HG13 ILE B 65 1.901 -2.350 -8.456 1.00 0.00 H new ATOM 0 HG21 ILE B 65 4.234 -3.204 -8.646 1.00 0.00 H new ATOM 0 HG22 ILE B 65 4.770 -4.575 -7.646 1.00 0.00 H new ATOM 0 HG23 ILE B 65 3.755 -4.862 -9.079 1.00 0.00 H new ATOM 0 HD11 ILE B 65 0.417 -3.543 -10.022 1.00 0.00 H new ATOM 0 HD12 ILE B 65 2.080 -4.165 -10.152 1.00 0.00 H new ATOM 0 HD13 ILE B 65 0.848 -5.097 -9.269 1.00 0.00 H new ATOM 1308 N LEU B 66 4.026 -5.942 -5.236 1.00 0.00 N ATOM 1309 CA LEU B 66 5.223 -6.647 -4.773 1.00 0.00 C ATOM 1310 C LEU B 66 4.861 -8.068 -4.306 1.00 0.00 C ATOM 1311 O LEU B 66 5.605 -9.017 -4.556 1.00 0.00 O ATOM 1312 CB LEU B 66 5.908 -5.780 -3.698 1.00 0.00 C ATOM 1313 CG LEU B 66 6.833 -4.646 -4.220 1.00 0.00 C ATOM 1314 CD1 LEU B 66 6.596 -4.126 -5.639 1.00 0.00 C ATOM 1315 CD2 LEU B 66 6.721 -3.400 -3.343 1.00 0.00 C ATOM 0 H LEU B 66 3.730 -5.189 -4.615 1.00 0.00 H new ATOM 0 HA LEU B 66 5.941 -6.789 -5.581 1.00 0.00 H new ATOM 0 HB2 LEU B 66 5.134 -5.332 -3.075 1.00 0.00 H new ATOM 0 HB3 LEU B 66 6.497 -6.434 -3.054 1.00 0.00 H new ATOM 0 HG LEU B 66 7.801 -5.146 -4.199 1.00 0.00 H new ATOM 0 HD11 LEU B 66 7.316 -3.339 -5.863 1.00 0.00 H new ATOM 0 HD12 LEU B 66 6.718 -4.942 -6.351 1.00 0.00 H new ATOM 0 HD13 LEU B 66 5.585 -3.726 -5.716 1.00 0.00 H new ATOM 0 HD21 LEU B 66 7.379 -2.622 -3.731 1.00 0.00 H new ATOM 0 HD22 LEU B 66 5.692 -3.042 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU B 66 7.013 -3.646 -2.322 1.00 0.00 H new ATOM 1327 N LYS B 67 3.662 -8.246 -3.750 1.00 0.00 N ATOM 1328 CA LYS B 67 3.076 -9.548 -3.444 1.00 0.00 C ATOM 1329 C LYS B 67 2.843 -10.398 -4.709 1.00 0.00 C ATOM 1330 O LYS B 67 3.163 -11.588 -4.726 1.00 0.00 O ATOM 1331 CB LYS B 67 1.777 -9.322 -2.659 1.00 0.00 C ATOM 1332 CG LYS B 67 1.185 -10.634 -2.127 1.00 0.00 C ATOM 1333 CD LYS B 67 0.007 -10.367 -1.178 1.00 0.00 C ATOM 1334 CE LYS B 67 -0.550 -11.691 -0.638 1.00 0.00 C ATOM 1335 NZ LYS B 67 -1.670 -11.482 0.305 1.00 0.00 N ATOM 0 H LYS B 67 3.057 -7.466 -3.494 1.00 0.00 H new ATOM 0 HA LYS B 67 3.776 -10.120 -2.835 1.00 0.00 H new ATOM 0 HB2 LYS B 67 1.971 -8.648 -1.824 1.00 0.00 H new ATOM 0 HB3 LYS B 67 1.047 -8.830 -3.302 1.00 0.00 H new ATOM 0 HG2 LYS B 67 0.851 -11.250 -2.962 1.00 0.00 H new ATOM 0 HG3 LYS B 67 1.957 -11.198 -1.603 1.00 0.00 H new ATOM 0 HD2 LYS B 67 0.333 -9.737 -0.350 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -0.777 -9.822 -1.704 1.00 0.00 H new ATOM 0 HE2 LYS B 67 -0.889 -12.307 -1.471 1.00 0.00 H new ATOM 0 HE3 LYS B 67 0.247 -12.241 -0.137 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -2.015 -12.403 0.644 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -1.342 -10.916 1.113 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 -2.442 -10.980 -0.179 1.00 0.00 H new ATOM 1349 N ALA B 68 2.350 -9.785 -5.790 1.00 0.00 N ATOM 1350 CA ALA B 68 2.250 -10.442 -7.099 1.00 0.00 C ATOM 1351 C ALA B 68 3.630 -10.732 -7.735 1.00 0.00 C ATOM 1352 O ALA B 68 3.846 -11.798 -8.314 1.00 0.00 O ATOM 1353 CB ALA B 68 1.384 -9.585 -8.029 1.00 0.00 C ATOM 0 H ALA B 68 2.010 -8.823 -5.784 1.00 0.00 H new ATOM 0 HA ALA B 68 1.781 -11.414 -6.949 1.00 0.00 H new ATOM 0 HB1 ALA B 68 1.307 -10.069 -9.003 1.00 0.00 H new ATOM 0 HB2 ALA B 68 0.389 -9.474 -7.599 1.00 0.00 H new ATOM 0 HB3 ALA B 68 1.840 -8.602 -8.148 1.00 0.00 H new ATOM 1359 N LEU B 69 4.596 -9.818 -7.587 1.00 0.00 N ATOM 1360 CA LEU B 69 5.915 -9.872 -8.226 1.00 0.00 C ATOM 1361 C LEU B 69 6.836 -10.955 -7.636 1.00 0.00 C ATOM 1362 O LEU B 69 7.715 -11.473 -8.324 1.00 0.00 O ATOM 1363 CB LEU B 69 6.549 -8.462 -8.204 1.00 0.00 C ATOM 1364 CG LEU B 69 6.791 -7.935 -9.627 1.00 0.00 C ATOM 1365 CD1 LEU B 69 6.872 -6.415 -9.717 1.00 0.00 C ATOM 1366 CD2 LEU B 69 8.110 -8.482 -10.147 1.00 0.00 C ATOM 0 H LEU B 69 4.476 -8.993 -6.999 1.00 0.00 H new ATOM 0 HA LEU B 69 5.779 -10.177 -9.264 1.00 0.00 H new ATOM 0 HB2 LEU B 69 5.895 -7.776 -7.666 1.00 0.00 H new ATOM 0 HB3 LEU B 69 7.493 -8.494 -7.661 1.00 0.00 H new ATOM 0 HG LEU B 69 5.935 -8.265 -10.216 1.00 0.00 H new ATOM 0 HD11 LEU B 69 7.044 -6.120 -10.752 1.00 0.00 H new ATOM 0 HD12 LEU B 69 5.936 -5.979 -9.367 1.00 0.00 H new ATOM 0 HD13 LEU B 69 7.694 -6.057 -9.097 1.00 0.00 H new ATOM 0 HD21 LEU B 69 8.285 -8.110 -11.157 1.00 0.00 H new ATOM 0 HD22 LEU B 69 8.921 -8.157 -9.495 1.00 0.00 H new ATOM 0 HD23 LEU B 69 8.071 -9.571 -10.163 1.00 0.00 H new ATOM 1378 N ARG B 70 6.565 -11.378 -6.401 1.00 0.00 N ATOM 1379 CA ARG B 70 7.135 -12.590 -5.806 1.00 0.00 C ATOM 1380 C ARG B 70 6.820 -13.886 -6.596 1.00 0.00 C ATOM 1381 O ARG B 70 7.541 -14.876 -6.453 1.00 0.00 O ATOM 1382 CB ARG B 70 6.660 -12.738 -4.349 1.00 0.00 C ATOM 1383 CG ARG B 70 7.352 -11.751 -3.397 1.00 0.00 C ATOM 1384 CD ARG B 70 6.729 -11.824 -1.997 1.00 0.00 C ATOM 1385 NE ARG B 70 7.333 -10.835 -1.083 1.00 0.00 N ATOM 1386 CZ ARG B 70 8.417 -10.984 -0.337 1.00 0.00 C ATOM 1387 NH1 ARG B 70 9.132 -12.077 -0.345 1.00 0.00 N ATOM 1388 NH2 ARG B 70 8.812 -10.016 0.443 1.00 0.00 N ATOM 0 H ARG B 70 5.933 -10.880 -5.774 1.00 0.00 H new ATOM 0 HA ARG B 70 8.217 -12.464 -5.843 1.00 0.00 H new ATOM 0 HB2 ARG B 70 5.582 -12.584 -4.305 1.00 0.00 H new ATOM 0 HB3 ARG B 70 6.850 -13.757 -4.011 1.00 0.00 H new ATOM 0 HG2 ARG B 70 8.416 -11.978 -3.340 1.00 0.00 H new ATOM 0 HG3 ARG B 70 7.263 -10.737 -3.788 1.00 0.00 H new ATOM 0 HD2 ARG B 70 5.655 -11.649 -2.066 1.00 0.00 H new ATOM 0 HD3 ARG B 70 6.863 -12.826 -1.590 1.00 0.00 H new ATOM 0 HE ARG B 70 6.861 -9.933 -1.019 1.00 0.00 H new ATOM 0 HH11 ARG B 70 8.862 -12.859 -0.942 1.00 0.00 H new ATOM 0 HH12 ARG B 70 9.960 -12.149 0.246 1.00 0.00 H new ATOM 0 HH21 ARG B 70 8.286 -9.143 0.479 1.00 0.00 H new ATOM 0 HH22 ARG B 70 9.647 -10.132 1.017 1.00 0.00 H new ATOM 1402 N LYS B 71 5.752 -13.899 -7.407 1.00 0.00 N ATOM 1403 CA LYS B 71 5.221 -15.101 -8.072 1.00 0.00 C ATOM 1404 C LYS B 71 4.421 -14.817 -9.374 1.00 0.00 C ATOM 1405 O LYS B 71 3.320 -15.339 -9.567 1.00 0.00 O ATOM 1406 CB LYS B 71 4.439 -15.954 -7.048 1.00 0.00 C ATOM 1407 CG LYS B 71 3.267 -15.235 -6.350 1.00 0.00 C ATOM 1408 CD LYS B 71 2.513 -16.222 -5.446 1.00 0.00 C ATOM 1409 CE LYS B 71 1.332 -15.537 -4.750 1.00 0.00 C ATOM 1410 NZ LYS B 71 0.568 -16.487 -3.911 1.00 0.00 N ATOM 0 H LYS B 71 5.221 -13.056 -7.625 1.00 0.00 H new ATOM 0 HA LYS B 71 6.074 -15.678 -8.429 1.00 0.00 H new ATOM 0 HB2 LYS B 71 4.051 -16.837 -7.556 1.00 0.00 H new ATOM 0 HB3 LYS B 71 5.134 -16.305 -6.285 1.00 0.00 H new ATOM 0 HG2 LYS B 71 3.642 -14.400 -5.758 1.00 0.00 H new ATOM 0 HG3 LYS B 71 2.588 -14.819 -7.095 1.00 0.00 H new ATOM 0 HD2 LYS B 71 2.152 -17.062 -6.040 1.00 0.00 H new ATOM 0 HD3 LYS B 71 3.194 -16.629 -4.699 1.00 0.00 H new ATOM 0 HE2 LYS B 71 1.699 -14.718 -4.131 1.00 0.00 H new ATOM 0 HE3 LYS B 71 0.672 -15.100 -5.499 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 -0.223 -15.989 -3.455 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 0.197 -17.255 -4.506 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 1.193 -16.885 -3.181 1.00 0.00 H new ATOM 1424 N ILE B 72 4.968 -13.992 -10.283 1.00 0.00 N ATOM 1425 CA ILE B 72 4.376 -13.705 -11.615 1.00 0.00 C ATOM 1426 C ILE B 72 3.970 -14.995 -12.375 1.00 0.00 C ATOM 1427 O ILE B 72 2.887 -15.058 -12.970 1.00 0.00 O ATOM 1428 CB ILE B 72 5.345 -12.836 -12.465 1.00 0.00 C ATOM 1429 CG1 ILE B 72 5.590 -11.471 -11.786 1.00 0.00 C ATOM 1430 CG2 ILE B 72 4.806 -12.579 -13.888 1.00 0.00 C ATOM 1431 CD1 ILE B 72 6.689 -10.612 -12.427 1.00 0.00 C ATOM 0 H ILE B 72 5.844 -13.496 -10.118 1.00 0.00 H new ATOM 0 HA ILE B 72 3.458 -13.142 -11.446 1.00 0.00 H new ATOM 0 HB ILE B 72 6.276 -13.398 -12.539 1.00 0.00 H new ATOM 0 HG12 ILE B 72 4.658 -10.906 -11.794 1.00 0.00 H new ATOM 0 HG13 ILE B 72 5.849 -11.644 -10.741 1.00 0.00 H new ATOM 0 HG21 ILE B 72 5.518 -11.968 -14.442 1.00 0.00 H new ATOM 0 HG22 ILE B 72 4.667 -13.530 -14.402 1.00 0.00 H new ATOM 0 HG23 ILE B 72 3.851 -12.057 -13.827 1.00 0.00 H new ATOM 0 HD11 ILE B 72 6.785 -9.675 -11.879 1.00 0.00 H new ATOM 0 HD12 ILE B 72 7.637 -11.150 -12.394 1.00 0.00 H new ATOM 0 HD13 ILE B 72 6.427 -10.401 -13.464 1.00 0.00 H new ATOM 1443 N GLU B 73 4.814 -16.037 -12.314 1.00 0.00 N ATOM 1444 CA GLU B 73 4.583 -17.390 -12.859 1.00 0.00 C ATOM 1445 C GLU B 73 5.353 -18.441 -12.052 1.00 0.00 C ATOM 1446 O GLU B 73 4.723 -19.434 -11.630 1.00 0.00 O ATOM 1447 CB GLU B 73 4.972 -17.445 -14.346 1.00 0.00 C ATOM 1448 CG GLU B 73 4.530 -18.748 -15.015 1.00 0.00 C ATOM 1449 CD GLU B 73 4.846 -18.716 -16.503 1.00 0.00 C ATOM 1450 OE1 GLU B 73 5.976 -19.098 -16.881 1.00 0.00 O ATOM 1451 OE2 GLU B 73 3.957 -18.325 -17.292 1.00 0.00 O ATOM 0 H GLU B 73 5.724 -15.957 -11.860 1.00 0.00 H new ATOM 0 HA GLU B 73 3.520 -17.617 -12.776 1.00 0.00 H new ATOM 0 HB2 GLU B 73 4.522 -16.601 -14.868 1.00 0.00 H new ATOM 0 HB3 GLU B 73 6.053 -17.339 -14.441 1.00 0.00 H new ATOM 0 HG2 GLU B 73 5.035 -19.593 -14.548 1.00 0.00 H new ATOM 0 HG3 GLU B 73 3.460 -18.895 -14.867 1.00 0.00 H new TER 1458 GLU B 73