USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 797 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 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 79 ASN : amide:sc= -0.828 K(o=-0.83,f=-5.7!) USER MOD Single : A 26 TYR OH : rot -156:sc= 0.00286 USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 0.912 (180deg=0.841) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 138:sc= 0.0471 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -176:sc= -0.662 (180deg=-0.671) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -136:sc= -1.09 (180deg=-4.69!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 4:sc= 0.604! USER MOD Single : A 83 TYR OH : rot -37:sc= -0.271 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000869) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -173:sc= -1.27 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -85:sc= 0.908 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl -132:sc= -0.0416 (180deg=-0.619) USER MOD Single : A 115 MET CE :methyl 149:sc=-0.00123 (180deg=-1.62) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 6.672 8.999 -4.381 1.00 0.00 N ATOM 2 CA MET A 23 6.470 7.565 -4.257 1.00 0.00 C ATOM 3 C MET A 23 7.044 7.042 -2.940 1.00 0.00 C ATOM 4 O MET A 23 8.211 7.278 -2.629 1.00 0.00 O ATOM 5 CB MET A 23 7.146 6.851 -5.429 1.00 0.00 C ATOM 6 CG MET A 23 6.256 5.735 -5.979 1.00 0.00 C ATOM 7 SD MET A 23 7.262 4.460 -6.720 1.00 0.00 S ATOM 8 CE MET A 23 6.491 4.354 -8.328 1.00 0.00 C ATOM 0 HA MET A 23 5.398 7.366 -4.268 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.365 7.569 -6.219 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.099 6.434 -5.104 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.651 5.312 -5.177 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.566 6.141 -6.719 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.000 3.598 -8.926 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.443 4.080 -8.211 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.560 5.320 -8.829 1.00 0.00 H new ATOM 18 N ARG A 24 6.198 6.340 -2.200 1.00 0.00 N ATOM 19 CA ARG A 24 6.607 5.781 -0.923 1.00 0.00 C ATOM 20 C ARG A 24 6.910 4.288 -1.069 1.00 0.00 C ATOM 21 O ARG A 24 6.147 3.555 -1.697 1.00 0.00 O ATOM 22 CB ARG A 24 5.519 5.973 0.136 1.00 0.00 C ATOM 23 CG ARG A 24 5.831 7.176 1.030 1.00 0.00 C ATOM 24 CD ARG A 24 6.593 6.744 2.284 1.00 0.00 C ATOM 25 NE ARG A 24 7.633 7.742 2.614 1.00 0.00 N ATOM 26 CZ ARG A 24 8.515 7.607 3.613 1.00 0.00 C ATOM 27 NH1 ARG A 24 8.487 6.514 4.389 1.00 0.00 N ATOM 28 NH2 ARG A 24 9.424 8.566 3.839 1.00 0.00 N ATOM 0 H ARG A 24 5.231 6.146 -2.461 1.00 0.00 H new ATOM 0 HA ARG A 24 7.506 6.308 -0.603 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.554 6.117 -0.350 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.437 5.073 0.746 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.422 7.904 0.474 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.903 7.671 1.316 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.902 6.637 3.120 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.052 5.769 2.123 1.00 0.00 H new ATOM 0 HE ARG A 24 7.682 8.587 2.045 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.794 5.785 4.219 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.159 6.411 5.150 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.444 9.399 3.250 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.096 8.463 4.600 1.00 0.00 H new ATOM 42 N GLU A 25 8.025 3.883 -0.480 1.00 0.00 N ATOM 43 CA GLU A 25 8.437 2.490 -0.537 1.00 0.00 C ATOM 44 C GLU A 25 8.182 1.806 0.807 1.00 0.00 C ATOM 45 O GLU A 25 8.706 2.233 1.835 1.00 0.00 O ATOM 46 CB GLU A 25 9.907 2.370 -0.943 1.00 0.00 C ATOM 47 CG GLU A 25 10.056 2.351 -2.466 1.00 0.00 C ATOM 48 CD GLU A 25 11.250 3.199 -2.911 1.00 0.00 C ATOM 49 OE1 GLU A 25 12.262 3.183 -2.176 1.00 0.00 O ATOM 50 OE2 GLU A 25 11.124 3.842 -3.974 1.00 0.00 O ATOM 0 H GLU A 25 8.656 4.494 0.039 1.00 0.00 H new ATOM 0 HA GLU A 25 7.841 1.986 -1.298 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.472 3.206 -0.529 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.331 1.459 -0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.186 1.325 -2.809 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.144 2.729 -2.929 1.00 0.00 H new ATOM 57 N TYR A 26 7.376 0.755 0.755 1.00 0.00 N ATOM 58 CA TYR A 26 7.045 0.006 1.957 1.00 0.00 C ATOM 59 C TYR A 26 7.583 -1.425 1.876 1.00 0.00 C ATOM 60 O TYR A 26 7.691 -1.991 0.791 1.00 0.00 O ATOM 61 CB TYR A 26 5.517 -0.038 2.017 1.00 0.00 C ATOM 62 CG TYR A 26 4.853 1.339 1.988 1.00 0.00 C ATOM 63 CD1 TYR A 26 5.188 2.287 2.934 1.00 0.00 C ATOM 64 CD2 TYR A 26 3.917 1.634 1.018 1.00 0.00 C ATOM 65 CE1 TYR A 26 4.564 3.583 2.908 1.00 0.00 C ATOM 66 CE2 TYR A 26 3.291 2.931 0.992 1.00 0.00 C ATOM 67 CZ TYR A 26 3.645 3.841 1.939 1.00 0.00 C ATOM 68 OH TYR A 26 3.055 5.067 1.914 1.00 0.00 O ATOM 0 H TYR A 26 6.943 0.404 -0.099 1.00 0.00 H new ATOM 0 HA TYR A 26 7.485 0.476 2.837 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.148 -0.626 1.177 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.214 -0.557 2.927 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.919 2.055 3.694 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.654 0.892 0.278 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.819 4.334 3.641 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.557 3.175 0.238 1.00 0.00 H new ATOM 0 HH TYR A 26 2.191 5.005 1.456 1.00 0.00 H new ATOM 78 N PRO A 27 7.912 -1.980 3.073 1.00 0.00 N ATOM 79 CA PRO A 27 8.437 -3.335 3.149 1.00 0.00 C ATOM 80 C PRO A 27 7.326 -4.365 2.937 1.00 0.00 C ATOM 81 O PRO A 27 6.150 -4.012 2.879 1.00 0.00 O ATOM 82 CB PRO A 27 9.081 -3.430 4.522 1.00 0.00 C ATOM 83 CG PRO A 27 8.492 -2.291 5.340 1.00 0.00 C ATOM 84 CD PRO A 27 7.797 -1.340 4.379 1.00 0.00 C ATOM 0 HA PRO A 27 9.165 -3.549 2.367 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.870 -4.393 4.986 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.165 -3.340 4.452 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.785 -2.675 6.076 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.276 -1.772 5.892 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.753 -1.191 4.656 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.271 -0.358 4.382 1.00 0.00 H new ATOM 92 N VAL A 28 7.739 -5.618 2.826 1.00 0.00 N ATOM 93 CA VAL A 28 6.793 -6.703 2.622 1.00 0.00 C ATOM 94 C VAL A 28 6.940 -7.722 3.753 1.00 0.00 C ATOM 95 O VAL A 28 8.028 -7.898 4.298 1.00 0.00 O ATOM 96 CB VAL A 28 6.994 -7.316 1.234 1.00 0.00 C ATOM 97 CG1 VAL A 28 6.571 -8.787 1.219 1.00 0.00 C ATOM 98 CG2 VAL A 28 6.241 -6.519 0.168 1.00 0.00 C ATOM 0 H VAL A 28 8.716 -5.907 2.873 1.00 0.00 H new ATOM 0 HA VAL A 28 5.769 -6.329 2.654 1.00 0.00 H new ATOM 0 HB VAL A 28 8.057 -7.270 0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.724 -9.199 0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.170 -9.345 1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.517 -8.865 1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.401 -6.976 -0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.176 -6.519 0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.609 -5.493 0.153 1.00 0.00 H new ATOM 108 N LYS A 29 5.828 -8.367 4.074 1.00 0.00 N ATOM 109 CA LYS A 29 5.818 -9.363 5.131 1.00 0.00 C ATOM 110 C LYS A 29 5.922 -10.758 4.510 1.00 0.00 C ATOM 111 O LYS A 29 5.406 -10.998 3.420 1.00 0.00 O ATOM 112 CB LYS A 29 4.594 -9.179 6.030 1.00 0.00 C ATOM 113 CG LYS A 29 4.636 -10.143 7.218 1.00 0.00 C ATOM 114 CD LYS A 29 4.989 -9.406 8.511 1.00 0.00 C ATOM 115 CE LYS A 29 4.078 -8.196 8.717 1.00 0.00 C ATOM 116 NZ LYS A 29 3.869 -7.946 10.161 1.00 0.00 N ATOM 0 H LYS A 29 4.927 -8.219 3.620 1.00 0.00 H new ATOM 0 HA LYS A 29 6.683 -9.237 5.782 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.555 -8.152 6.392 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.685 -9.348 5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.669 -10.633 7.327 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.371 -10.926 7.030 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.895 -10.085 9.358 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.029 -9.081 8.477 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.520 -7.316 8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.119 -8.368 8.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.393 -7.030 10.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.279 -8.702 10.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.788 -7.929 10.647 1.00 0.00 H new ATOM 130 N LYS A 30 6.592 -11.645 5.234 1.00 0.00 N ATOM 131 CA LYS A 30 6.769 -13.008 4.768 1.00 0.00 C ATOM 132 C LYS A 30 5.423 -13.736 4.810 1.00 0.00 C ATOM 133 O LYS A 30 4.833 -13.896 5.878 1.00 0.00 O ATOM 134 CB LYS A 30 7.871 -13.708 5.568 1.00 0.00 C ATOM 135 CG LYS A 30 7.558 -13.693 7.065 1.00 0.00 C ATOM 136 CD LYS A 30 8.734 -13.130 7.866 1.00 0.00 C ATOM 137 CE LYS A 30 8.322 -12.833 9.309 1.00 0.00 C ATOM 138 NZ LYS A 30 9.230 -13.513 10.258 1.00 0.00 N ATOM 0 H LYS A 30 7.018 -11.445 6.139 1.00 0.00 H new ATOM 0 HA LYS A 30 7.104 -13.016 3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.976 -14.737 5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.826 -13.214 5.388 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.668 -13.091 7.248 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.334 -14.705 7.403 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.558 -13.843 7.859 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.098 -12.218 7.393 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.342 -11.757 9.485 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.297 -13.164 9.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.936 -13.301 11.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.191 -14.540 10.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.203 -13.177 10.109 1.00 0.00 H new ATOM 152 N GLY A 31 4.978 -14.159 3.636 1.00 0.00 N ATOM 153 CA GLY A 31 3.715 -14.866 3.525 1.00 0.00 C ATOM 154 C GLY A 31 2.664 -14.003 2.824 1.00 0.00 C ATOM 155 O GLY A 31 1.905 -14.496 1.991 1.00 0.00 O ATOM 0 H GLY A 31 5.471 -14.025 2.753 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.860 -15.792 2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.360 -15.143 4.518 1.00 0.00 H new ATOM 159 N PHE A 32 2.653 -12.729 3.188 1.00 0.00 N ATOM 160 CA PHE A 32 1.707 -11.793 2.603 1.00 0.00 C ATOM 161 C PHE A 32 1.685 -11.914 1.079 1.00 0.00 C ATOM 162 O PHE A 32 2.615 -12.456 0.483 1.00 0.00 O ATOM 163 CB PHE A 32 2.176 -10.387 2.985 1.00 0.00 C ATOM 164 CG PHE A 32 1.654 -9.903 4.339 1.00 0.00 C ATOM 165 CD1 PHE A 32 1.683 -10.731 5.416 1.00 0.00 C ATOM 166 CD2 PHE A 32 1.159 -8.641 4.465 1.00 0.00 C ATOM 167 CE1 PHE A 32 1.198 -10.282 6.672 1.00 0.00 C ATOM 168 CE2 PHE A 32 0.674 -8.192 5.721 1.00 0.00 C ATOM 169 CZ PHE A 32 0.703 -9.021 6.798 1.00 0.00 C ATOM 0 H PHE A 32 3.283 -12.323 3.880 1.00 0.00 H new ATOM 0 HA PHE A 32 0.702 -12.001 2.970 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.266 -10.370 3.000 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.857 -9.687 2.213 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.076 -11.732 5.316 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.135 -7.982 3.610 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.222 -10.941 7.527 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.282 -7.191 5.821 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.333 -8.679 7.753 1.00 0.00 H new ATOM 179 N PRO A 33 0.586 -11.387 0.475 1.00 0.00 N ATOM 180 CA PRO A 33 0.431 -11.431 -0.968 1.00 0.00 C ATOM 181 C PRO A 33 1.340 -10.405 -1.649 1.00 0.00 C ATOM 182 O PRO A 33 1.329 -9.228 -1.292 1.00 0.00 O ATOM 183 CB PRO A 33 -1.046 -11.171 -1.214 1.00 0.00 C ATOM 184 CG PRO A 33 -1.574 -10.535 0.061 1.00 0.00 C ATOM 185 CD PRO A 33 -0.535 -10.738 1.149 1.00 0.00 C ATOM 0 HA PRO A 33 0.729 -12.389 -1.393 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.189 -10.510 -2.069 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.574 -12.098 -1.436 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.763 -9.473 -0.093 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -2.522 -10.989 0.349 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.235 -9.788 1.592 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.924 -11.358 1.957 1.00 0.00 H new ATOM 193 N THR A 34 2.104 -10.887 -2.617 1.00 0.00 N ATOM 194 CA THR A 34 3.016 -10.028 -3.350 1.00 0.00 C ATOM 195 C THR A 34 2.731 -10.105 -4.852 1.00 0.00 C ATOM 196 O THR A 34 3.613 -9.841 -5.668 1.00 0.00 O ATOM 197 CB THR A 34 4.445 -10.430 -2.983 1.00 0.00 C ATOM 198 OG1 THR A 34 4.458 -11.847 -3.138 1.00 0.00 O ATOM 199 CG2 THR A 34 4.751 -10.215 -1.498 1.00 0.00 C ATOM 0 H THR A 34 2.110 -11.864 -2.911 1.00 0.00 H new ATOM 0 HA THR A 34 2.877 -8.982 -3.077 1.00 0.00 H new ATOM 0 HB THR A 34 5.149 -9.857 -3.586 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.349 -12.192 -2.921 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.778 -10.516 -1.291 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.625 -9.161 -1.249 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.069 -10.814 -0.895 1.00 0.00 H new ATOM 207 N ASP A 35 1.498 -10.468 -5.170 1.00 0.00 N ATOM 208 CA ASP A 35 1.086 -10.583 -6.558 1.00 0.00 C ATOM 209 C ASP A 35 -0.173 -9.742 -6.783 1.00 0.00 C ATOM 210 O ASP A 35 -1.022 -9.640 -5.901 1.00 0.00 O ATOM 211 CB ASP A 35 0.754 -12.034 -6.916 1.00 0.00 C ATOM 212 CG ASP A 35 1.687 -12.675 -7.945 1.00 0.00 C ATOM 213 OD1 ASP A 35 2.813 -12.153 -8.095 1.00 0.00 O ATOM 214 OD2 ASP A 35 1.253 -13.674 -8.559 1.00 0.00 O ATOM 0 H ASP A 35 0.770 -10.687 -4.490 1.00 0.00 H new ATOM 0 HA ASP A 35 1.908 -10.236 -7.183 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.777 -12.632 -6.005 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.266 -12.074 -7.298 1.00 0.00 H new ATOM 219 N TYR A 36 -0.251 -9.159 -7.971 1.00 0.00 N ATOM 220 CA TYR A 36 -1.391 -8.330 -8.325 1.00 0.00 C ATOM 221 C TYR A 36 -2.706 -9.021 -7.960 1.00 0.00 C ATOM 222 O TYR A 36 -3.520 -8.464 -7.224 1.00 0.00 O ATOM 223 CB TYR A 36 -1.327 -8.151 -9.843 1.00 0.00 C ATOM 224 CG TYR A 36 -0.470 -6.967 -10.294 1.00 0.00 C ATOM 225 CD1 TYR A 36 0.894 -6.983 -10.085 1.00 0.00 C ATOM 226 CD2 TYR A 36 -1.059 -5.883 -10.911 1.00 0.00 C ATOM 227 CE1 TYR A 36 1.702 -5.869 -10.510 1.00 0.00 C ATOM 228 CE2 TYR A 36 -0.253 -4.769 -11.336 1.00 0.00 C ATOM 229 CZ TYR A 36 1.088 -4.815 -11.114 1.00 0.00 C ATOM 230 OH TYR A 36 1.850 -3.764 -11.516 1.00 0.00 O ATOM 0 H TYR A 36 0.457 -9.245 -8.700 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.356 -7.381 -7.790 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.932 -9.063 -10.290 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.339 -8.021 -10.226 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.356 -7.832 -9.602 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.126 -5.870 -11.075 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.771 -5.870 -10.353 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.703 -3.915 -11.821 1.00 0.00 H new ATOM 0 HH TYR A 36 1.557 -3.468 -12.403 1.00 0.00 H new ATOM 240 N ASP A 37 -2.872 -10.223 -8.489 1.00 0.00 N ATOM 241 CA ASP A 37 -4.075 -10.996 -8.228 1.00 0.00 C ATOM 242 C ASP A 37 -4.200 -11.244 -6.723 1.00 0.00 C ATOM 243 O ASP A 37 -5.240 -10.966 -6.129 1.00 0.00 O ATOM 244 CB ASP A 37 -4.020 -12.356 -8.929 1.00 0.00 C ATOM 245 CG ASP A 37 -4.500 -12.354 -10.381 1.00 0.00 C ATOM 246 OD1 ASP A 37 -4.275 -11.323 -11.052 1.00 0.00 O ATOM 247 OD2 ASP A 37 -5.082 -13.383 -10.787 1.00 0.00 O ATOM 0 H ASP A 37 -2.194 -10.682 -9.097 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.927 -10.431 -8.605 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.993 -12.721 -8.902 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.625 -13.064 -8.363 1.00 0.00 H new ATOM 252 N SER A 38 -3.125 -11.766 -6.152 1.00 0.00 N ATOM 253 CA SER A 38 -3.100 -12.055 -4.728 1.00 0.00 C ATOM 254 C SER A 38 -3.536 -10.820 -3.935 1.00 0.00 C ATOM 255 O SER A 38 -4.432 -10.900 -3.098 1.00 0.00 O ATOM 256 CB SER A 38 -1.709 -12.509 -4.280 1.00 0.00 C ATOM 257 OG SER A 38 -1.734 -13.809 -3.698 1.00 0.00 O ATOM 0 H SER A 38 -2.265 -11.996 -6.649 1.00 0.00 H new ATOM 0 HA SER A 38 -3.798 -12.870 -4.534 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.034 -12.508 -5.136 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.310 -11.796 -3.558 1.00 0.00 H new ATOM 0 HG SER A 38 -0.827 -14.063 -3.427 1.00 0.00 H new ATOM 263 N ILE A 39 -2.880 -9.707 -4.229 1.00 0.00 N ATOM 264 CA ILE A 39 -3.188 -8.457 -3.554 1.00 0.00 C ATOM 265 C ILE A 39 -4.614 -8.029 -3.910 1.00 0.00 C ATOM 266 O ILE A 39 -5.336 -7.505 -3.064 1.00 0.00 O ATOM 267 CB ILE A 39 -2.131 -7.400 -3.876 1.00 0.00 C ATOM 268 CG1 ILE A 39 -0.809 -7.714 -3.172 1.00 0.00 C ATOM 269 CG2 ILE A 39 -2.639 -5.996 -3.543 1.00 0.00 C ATOM 270 CD1 ILE A 39 0.384 -7.391 -4.074 1.00 0.00 C ATOM 0 H ILE A 39 -2.137 -9.644 -4.925 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.154 -8.589 -2.473 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.938 -7.426 -4.949 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.738 -7.137 -2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.783 -8.767 -2.892 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.868 -5.264 -3.782 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.534 -5.784 -4.129 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.878 -5.938 -2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.311 -7.623 -3.549 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.324 -7.987 -4.985 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.369 -6.332 -4.332 1.00 0.00 H new ATOM 282 N LYS A 40 -4.975 -8.268 -5.162 1.00 0.00 N ATOM 283 CA LYS A 40 -6.301 -7.914 -5.639 1.00 0.00 C ATOM 284 C LYS A 40 -7.351 -8.519 -4.707 1.00 0.00 C ATOM 285 O LYS A 40 -8.379 -7.898 -4.436 1.00 0.00 O ATOM 286 CB LYS A 40 -6.469 -8.322 -7.103 1.00 0.00 C ATOM 287 CG LYS A 40 -6.504 -7.094 -8.015 1.00 0.00 C ATOM 288 CD LYS A 40 -7.123 -7.434 -9.372 1.00 0.00 C ATOM 289 CE LYS A 40 -6.076 -7.371 -10.484 1.00 0.00 C ATOM 290 NZ LYS A 40 -5.042 -8.410 -10.284 1.00 0.00 N ATOM 0 H LYS A 40 -4.372 -8.703 -5.861 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.439 -6.833 -5.616 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.648 -8.975 -7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.390 -8.893 -7.221 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.078 -6.299 -7.539 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.492 -6.714 -8.158 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.561 -8.432 -9.336 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.933 -6.738 -9.591 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.557 -7.510 -11.452 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.611 -6.385 -10.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.304 -8.309 -11.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.618 -8.301 -9.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.477 -9.352 -10.361 1.00 0.00 H new ATOM 304 N ARG A 41 -7.060 -9.724 -4.239 1.00 0.00 N ATOM 305 CA ARG A 41 -7.968 -10.420 -3.344 1.00 0.00 C ATOM 306 C ARG A 41 -7.879 -9.830 -1.935 1.00 0.00 C ATOM 307 O ARG A 41 -8.883 -9.735 -1.233 1.00 0.00 O ATOM 308 CB ARG A 41 -7.645 -11.915 -3.284 1.00 0.00 C ATOM 309 CG ARG A 41 -8.341 -12.671 -4.417 1.00 0.00 C ATOM 310 CD ARG A 41 -7.619 -12.453 -5.747 1.00 0.00 C ATOM 311 NE ARG A 41 -8.187 -13.345 -6.783 1.00 0.00 N ATOM 312 CZ ARG A 41 -9.361 -13.136 -7.394 1.00 0.00 C ATOM 313 NH1 ARG A 41 -10.100 -12.064 -7.076 1.00 0.00 N ATOM 314 NH2 ARG A 41 -9.797 -13.999 -8.322 1.00 0.00 N ATOM 0 H ARG A 41 -6.207 -10.236 -4.463 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.979 -10.294 -3.733 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.567 -12.061 -3.353 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.961 -12.321 -2.323 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.369 -13.736 -4.185 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.375 -12.336 -4.501 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.717 -11.413 -6.057 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.554 -12.651 -5.629 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.651 -14.171 -7.048 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.769 -11.408 -6.369 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.994 -11.905 -7.541 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.235 -14.815 -8.563 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.691 -13.840 -8.787 1.00 0.00 H new ATOM 328 N LYS A 42 -6.665 -9.448 -1.563 1.00 0.00 N ATOM 329 CA LYS A 42 -6.432 -8.869 -0.252 1.00 0.00 C ATOM 330 C LYS A 42 -7.173 -7.535 -0.147 1.00 0.00 C ATOM 331 O LYS A 42 -7.645 -7.166 0.926 1.00 0.00 O ATOM 332 CB LYS A 42 -4.932 -8.762 0.028 1.00 0.00 C ATOM 333 CG LYS A 42 -4.670 -8.083 1.374 1.00 0.00 C ATOM 334 CD LYS A 42 -3.818 -8.973 2.280 1.00 0.00 C ATOM 335 CE LYS A 42 -4.682 -9.674 3.330 1.00 0.00 C ATOM 336 NZ LYS A 42 -4.874 -11.098 2.977 1.00 0.00 N ATOM 0 H LYS A 42 -5.833 -9.529 -2.148 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.833 -9.518 0.526 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.487 -9.757 0.026 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.450 -8.196 -0.769 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.164 -7.131 1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.618 -7.861 1.864 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.296 -9.717 1.678 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.056 -8.371 2.774 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.209 -9.597 4.309 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.650 -9.178 3.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.463 -11.559 3.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.345 -11.166 2.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.949 -11.572 2.930 1.00 0.00 H new ATOM 350 N ILE A 43 -7.253 -6.850 -1.279 1.00 0.00 N ATOM 351 CA ILE A 43 -7.930 -5.564 -1.327 1.00 0.00 C ATOM 352 C ILE A 43 -9.436 -5.779 -1.163 1.00 0.00 C ATOM 353 O ILE A 43 -10.061 -5.172 -0.295 1.00 0.00 O ATOM 354 CB ILE A 43 -7.553 -4.810 -2.604 1.00 0.00 C ATOM 355 CG1 ILE A 43 -6.042 -4.581 -2.680 1.00 0.00 C ATOM 356 CG2 ILE A 43 -8.337 -3.501 -2.718 1.00 0.00 C ATOM 357 CD1 ILE A 43 -5.572 -4.495 -4.134 1.00 0.00 C ATOM 0 H ILE A 43 -6.861 -7.160 -2.168 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.606 -4.931 -0.501 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.828 -5.427 -3.459 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.783 -3.661 -2.156 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.522 -5.394 -2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.051 -2.984 -3.634 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.405 -3.717 -2.742 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.114 -2.868 -1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.495 -4.332 -4.159 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.810 -5.426 -4.649 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.076 -3.666 -4.631 1.00 0.00 H new ATOM 369 N SER A 44 -9.974 -6.645 -2.010 1.00 0.00 N ATOM 370 CA SER A 44 -11.395 -6.947 -1.968 1.00 0.00 C ATOM 371 C SER A 44 -11.727 -7.730 -0.696 1.00 0.00 C ATOM 372 O SER A 44 -12.853 -7.675 -0.206 1.00 0.00 O ATOM 373 CB SER A 44 -11.826 -7.737 -3.205 1.00 0.00 C ATOM 374 OG SER A 44 -13.244 -7.815 -3.322 1.00 0.00 O ATOM 0 H SER A 44 -9.452 -7.147 -2.729 1.00 0.00 H new ATOM 0 HA SER A 44 -11.945 -6.006 -1.961 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.414 -7.266 -4.097 1.00 0.00 H new ATOM 0 HB3 SER A 44 -11.411 -8.743 -3.155 1.00 0.00 H new ATOM 0 HG SER A 44 -13.478 -8.326 -4.125 1.00 0.00 H new ATOM 380 N GLU A 45 -10.725 -8.442 -0.200 1.00 0.00 N ATOM 381 CA GLU A 45 -10.896 -9.235 1.006 1.00 0.00 C ATOM 382 C GLU A 45 -11.111 -8.324 2.216 1.00 0.00 C ATOM 383 O GLU A 45 -11.792 -8.701 3.169 1.00 0.00 O ATOM 384 CB GLU A 45 -9.700 -10.165 1.224 1.00 0.00 C ATOM 385 CG GLU A 45 -9.855 -11.457 0.420 1.00 0.00 C ATOM 386 CD GLU A 45 -10.154 -12.643 1.339 1.00 0.00 C ATOM 387 OE1 GLU A 45 -11.090 -12.506 2.155 1.00 0.00 O ATOM 388 OE2 GLU A 45 -9.439 -13.659 1.203 1.00 0.00 O ATOM 0 H GLU A 45 -9.793 -8.486 -0.611 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.782 -9.858 0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.782 -9.657 0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.607 -10.401 2.284 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.660 -11.343 -0.306 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.942 -11.650 -0.144 1.00 0.00 H new ATOM 395 N LEU A 46 -10.518 -7.141 2.138 1.00 0.00 N ATOM 396 CA LEU A 46 -10.637 -6.173 3.215 1.00 0.00 C ATOM 397 C LEU A 46 -11.964 -5.426 3.079 1.00 0.00 C ATOM 398 O LEU A 46 -12.495 -4.910 4.062 1.00 0.00 O ATOM 399 CB LEU A 46 -9.415 -5.253 3.245 1.00 0.00 C ATOM 400 CG LEU A 46 -9.517 -3.974 2.412 1.00 0.00 C ATOM 401 CD1 LEU A 46 -9.695 -2.748 3.309 1.00 0.00 C ATOM 402 CD2 LEU A 46 -8.313 -3.832 1.477 1.00 0.00 C ATOM 0 H LEU A 46 -9.954 -6.832 1.346 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.652 -6.678 4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.221 -4.974 4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.550 -5.820 2.900 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.405 -4.044 1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.765 -1.852 2.692 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.607 -2.856 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.840 -2.661 3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.410 -2.915 0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.397 -3.793 2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.274 -4.687 0.802 1.00 0.00 H new ATOM 414 N GLY A 47 -12.467 -5.392 1.854 1.00 0.00 N ATOM 415 CA GLY A 47 -13.723 -4.716 1.576 1.00 0.00 C ATOM 416 C GLY A 47 -13.503 -3.495 0.682 1.00 0.00 C ATOM 417 O GLY A 47 -14.221 -2.503 0.793 1.00 0.00 O ATOM 0 H GLY A 47 -12.027 -5.823 1.041 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.412 -5.407 1.090 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.188 -4.407 2.512 1.00 0.00 H new ATOM 421 N PHE A 48 -12.507 -3.608 -0.184 1.00 0.00 N ATOM 422 CA PHE A 48 -12.185 -2.524 -1.099 1.00 0.00 C ATOM 423 C PHE A 48 -12.333 -2.973 -2.554 1.00 0.00 C ATOM 424 O PHE A 48 -12.662 -4.127 -2.821 1.00 0.00 O ATOM 425 CB PHE A 48 -10.725 -2.142 -0.840 1.00 0.00 C ATOM 426 CG PHE A 48 -10.515 -1.312 0.428 1.00 0.00 C ATOM 427 CD1 PHE A 48 -11.588 -0.834 1.114 1.00 0.00 C ATOM 428 CD2 PHE A 48 -9.256 -1.052 0.869 1.00 0.00 C ATOM 429 CE1 PHE A 48 -11.394 -0.064 2.290 1.00 0.00 C ATOM 430 CE2 PHE A 48 -9.061 -0.280 2.045 1.00 0.00 C ATOM 431 CZ PHE A 48 -10.134 0.197 2.731 1.00 0.00 C ATOM 0 H PHE A 48 -11.912 -4.432 -0.272 1.00 0.00 H new ATOM 0 HA PHE A 48 -12.861 -1.684 -0.936 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.129 -3.052 -0.769 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.350 -1.581 -1.696 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.588 -1.041 0.763 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.404 -1.432 0.325 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.246 0.315 2.835 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.061 -0.072 2.395 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.986 0.783 3.626 1.00 0.00 H new ATOM 441 N ASP A 49 -12.078 -2.038 -3.456 1.00 0.00 N ATOM 442 CA ASP A 49 -12.178 -2.321 -4.879 1.00 0.00 C ATOM 443 C ASP A 49 -10.832 -2.035 -5.547 1.00 0.00 C ATOM 444 O ASP A 49 -9.988 -1.342 -4.980 1.00 0.00 O ATOM 445 CB ASP A 49 -13.234 -1.436 -5.543 1.00 0.00 C ATOM 446 CG ASP A 49 -14.501 -2.168 -5.994 1.00 0.00 C ATOM 447 OD1 ASP A 49 -14.347 -3.270 -6.561 1.00 0.00 O ATOM 448 OD2 ASP A 49 -15.594 -1.606 -5.761 1.00 0.00 O ATOM 0 H ASP A 49 -11.802 -1.082 -3.230 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.459 -3.367 -4.996 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.517 -0.648 -4.845 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.786 -0.949 -6.409 1.00 0.00 H new ATOM 453 N VAL A 50 -10.674 -2.583 -6.742 1.00 0.00 N ATOM 454 CA VAL A 50 -9.445 -2.396 -7.494 1.00 0.00 C ATOM 455 C VAL A 50 -9.784 -2.175 -8.970 1.00 0.00 C ATOM 456 O VAL A 50 -10.663 -2.841 -9.515 1.00 0.00 O ATOM 457 CB VAL A 50 -8.507 -3.584 -7.268 1.00 0.00 C ATOM 458 CG1 VAL A 50 -9.243 -4.911 -7.469 1.00 0.00 C ATOM 459 CG2 VAL A 50 -7.281 -3.495 -8.177 1.00 0.00 C ATOM 0 H VAL A 50 -11.377 -3.157 -7.209 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.915 -1.510 -7.145 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.162 -3.546 -6.235 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.553 -5.738 -7.302 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.069 -4.979 -6.762 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.631 -4.961 -8.486 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.631 -4.351 -7.996 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.600 -3.495 -9.219 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.737 -2.575 -7.965 1.00 0.00 H new ATOM 469 N LYS A 51 -9.068 -1.237 -9.574 1.00 0.00 N ATOM 470 CA LYS A 51 -9.281 -0.920 -10.975 1.00 0.00 C ATOM 471 C LYS A 51 -8.033 -1.299 -11.776 1.00 0.00 C ATOM 472 O LYS A 51 -6.913 -1.171 -11.285 1.00 0.00 O ATOM 473 CB LYS A 51 -9.694 0.544 -11.136 1.00 0.00 C ATOM 474 CG LYS A 51 -10.785 0.920 -10.132 1.00 0.00 C ATOM 475 CD LYS A 51 -12.109 0.237 -10.479 1.00 0.00 C ATOM 476 CE LYS A 51 -12.798 0.938 -11.651 1.00 0.00 C ATOM 477 NZ LYS A 51 -13.534 2.131 -11.180 1.00 0.00 N ATOM 0 H LYS A 51 -8.340 -0.687 -9.118 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.107 -1.507 -11.376 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.826 1.188 -10.993 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.054 0.714 -12.151 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.475 0.631 -9.128 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.921 2.002 -10.125 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.928 -0.808 -10.731 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.765 0.246 -9.609 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.056 1.231 -12.394 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.486 0.249 -12.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.996 2.595 -11.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.255 1.843 -10.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.870 2.795 -10.733 1.00 0.00 H new ATOM 491 N SER A 52 -8.270 -1.759 -12.996 1.00 0.00 N ATOM 492 CA SER A 52 -7.179 -2.157 -13.869 1.00 0.00 C ATOM 493 C SER A 52 -6.878 -1.042 -14.873 1.00 0.00 C ATOM 494 O SER A 52 -7.719 -0.712 -15.709 1.00 0.00 O ATOM 495 CB SER A 52 -7.507 -3.458 -14.604 1.00 0.00 C ATOM 496 OG SER A 52 -6.905 -4.590 -13.981 1.00 0.00 O ATOM 0 H SER A 52 -9.201 -1.865 -13.400 1.00 0.00 H new ATOM 0 HA SER A 52 -6.296 -2.332 -13.254 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.588 -3.594 -14.636 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.164 -3.387 -15.636 1.00 0.00 H new ATOM 0 HG SER A 52 -7.140 -5.401 -14.479 1.00 0.00 H new ATOM 502 N GLU A 53 -5.677 -0.494 -14.759 1.00 0.00 N ATOM 503 CA GLU A 53 -5.256 0.576 -15.646 1.00 0.00 C ATOM 504 C GLU A 53 -3.987 0.172 -16.400 1.00 0.00 C ATOM 505 O GLU A 53 -2.877 0.389 -15.916 1.00 0.00 O ATOM 506 CB GLU A 53 -5.042 1.878 -14.872 1.00 0.00 C ATOM 507 CG GLU A 53 -6.181 2.865 -15.133 1.00 0.00 C ATOM 508 CD GLU A 53 -6.567 3.610 -13.852 1.00 0.00 C ATOM 509 OE1 GLU A 53 -5.881 4.610 -13.551 1.00 0.00 O ATOM 510 OE2 GLU A 53 -7.538 3.161 -13.206 1.00 0.00 O ATOM 0 H GLU A 53 -4.982 -0.771 -14.066 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.048 0.751 -16.374 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.978 1.665 -13.805 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.093 2.327 -15.164 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.878 3.581 -15.897 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.048 2.331 -15.522 1.00 0.00 H new ATOM 517 N GLY A 54 -4.194 -0.408 -17.573 1.00 0.00 N ATOM 518 CA GLY A 54 -3.080 -0.845 -18.397 1.00 0.00 C ATOM 519 C GLY A 54 -2.370 -2.048 -17.771 1.00 0.00 C ATOM 520 O GLY A 54 -2.884 -3.164 -17.806 1.00 0.00 O ATOM 0 H GLY A 54 -5.116 -0.585 -17.972 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.441 -1.109 -19.391 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.372 -0.025 -18.521 1.00 0.00 H new ATOM 524 N ASP A 55 -1.201 -1.777 -17.211 1.00 0.00 N ATOM 525 CA ASP A 55 -0.416 -2.823 -16.577 1.00 0.00 C ATOM 526 C ASP A 55 -0.215 -2.479 -15.099 1.00 0.00 C ATOM 527 O ASP A 55 0.402 -3.242 -14.359 1.00 0.00 O ATOM 528 CB ASP A 55 0.964 -2.946 -17.225 1.00 0.00 C ATOM 529 CG ASP A 55 0.953 -3.075 -18.749 1.00 0.00 C ATOM 530 OD1 ASP A 55 0.419 -4.098 -19.229 1.00 0.00 O ATOM 531 OD2 ASP A 55 1.479 -2.147 -19.402 1.00 0.00 O ATOM 0 H ASP A 55 -0.778 -0.849 -17.183 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.954 -3.764 -16.692 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.555 -2.072 -16.954 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.470 -3.816 -16.805 1.00 0.00 H new ATOM 536 N LEU A 56 -0.747 -1.328 -14.714 1.00 0.00 N ATOM 537 CA LEU A 56 -0.635 -0.873 -13.339 1.00 0.00 C ATOM 538 C LEU A 56 -1.890 -1.281 -12.567 1.00 0.00 C ATOM 539 O LEU A 56 -2.949 -1.484 -13.159 1.00 0.00 O ATOM 540 CB LEU A 56 -0.344 0.629 -13.294 1.00 0.00 C ATOM 541 CG LEU A 56 0.797 1.119 -14.185 1.00 0.00 C ATOM 542 CD1 LEU A 56 1.346 2.456 -13.686 1.00 0.00 C ATOM 543 CD2 LEU A 56 1.894 0.058 -14.304 1.00 0.00 C ATOM 0 H LEU A 56 -1.257 -0.697 -15.331 1.00 0.00 H new ATOM 0 HA LEU A 56 0.211 -1.352 -12.846 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.252 1.163 -13.574 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.117 0.904 -12.264 1.00 0.00 H new ATOM 0 HG LEU A 56 0.401 1.287 -15.186 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.157 2.782 -14.337 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.551 3.202 -13.695 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.722 2.338 -12.670 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.694 0.432 -14.943 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.294 -0.164 -13.315 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.476 -0.850 -14.739 1.00 0.00 H new ATOM 555 N ILE A 57 -1.731 -1.389 -11.256 1.00 0.00 N ATOM 556 CA ILE A 57 -2.839 -1.768 -10.397 1.00 0.00 C ATOM 557 C ILE A 57 -3.330 -0.539 -9.631 1.00 0.00 C ATOM 558 O ILE A 57 -2.529 0.215 -9.081 1.00 0.00 O ATOM 559 CB ILE A 57 -2.441 -2.938 -9.492 1.00 0.00 C ATOM 560 CG1 ILE A 57 -3.586 -3.944 -9.360 1.00 0.00 C ATOM 561 CG2 ILE A 57 -1.956 -2.436 -8.131 1.00 0.00 C ATOM 562 CD1 ILE A 57 -3.301 -4.953 -8.244 1.00 0.00 C ATOM 0 H ILE A 57 -0.851 -1.221 -10.768 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.677 -2.127 -10.994 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.606 -3.463 -9.957 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.516 -3.417 -9.150 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.724 -4.470 -10.305 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.679 -3.286 -7.507 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.089 -1.790 -8.269 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.754 -1.874 -7.645 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.130 -5.657 -8.170 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.383 -5.495 -8.470 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.188 -4.426 -7.297 1.00 0.00 H new ATOM 574 N ILE A 58 -4.645 -0.374 -9.620 1.00 0.00 N ATOM 575 CA ILE A 58 -5.252 0.752 -8.930 1.00 0.00 C ATOM 576 C ILE A 58 -6.148 0.231 -7.804 1.00 0.00 C ATOM 577 O ILE A 58 -7.005 -0.620 -8.031 1.00 0.00 O ATOM 578 CB ILE A 58 -5.978 1.660 -9.924 1.00 0.00 C ATOM 579 CG1 ILE A 58 -5.065 2.036 -11.092 1.00 0.00 C ATOM 580 CG2 ILE A 58 -6.549 2.895 -9.223 1.00 0.00 C ATOM 581 CD1 ILE A 58 -3.936 2.961 -10.630 1.00 0.00 C ATOM 0 H ILE A 58 -5.307 -1.001 -10.078 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.486 1.374 -8.466 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.820 1.106 -10.339 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.643 1.133 -11.533 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.648 2.529 -11.870 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.060 3.524 -9.952 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.256 2.583 -8.454 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.738 3.459 -8.762 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.301 3.213 -11.480 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.361 3.873 -10.211 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.340 2.456 -9.869 1.00 0.00 H new ATOM 593 N ALA A 59 -5.918 0.766 -6.614 1.00 0.00 N ATOM 594 CA ALA A 59 -6.696 0.367 -5.452 1.00 0.00 C ATOM 595 C ALA A 59 -7.803 1.393 -5.207 1.00 0.00 C ATOM 596 O ALA A 59 -7.613 2.584 -5.441 1.00 0.00 O ATOM 597 CB ALA A 59 -5.766 0.212 -4.245 1.00 0.00 C ATOM 0 H ALA A 59 -5.205 1.472 -6.429 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.174 -0.598 -5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.348 -0.087 -3.373 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.016 -0.549 -4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.271 1.162 -4.042 1.00 0.00 H new ATOM 603 N SER A 60 -8.936 0.892 -4.737 1.00 0.00 N ATOM 604 CA SER A 60 -10.075 1.750 -4.457 1.00 0.00 C ATOM 605 C SER A 60 -10.328 1.809 -2.949 1.00 0.00 C ATOM 606 O SER A 60 -10.993 0.936 -2.394 1.00 0.00 O ATOM 607 CB SER A 60 -11.326 1.259 -5.187 1.00 0.00 C ATOM 608 OG SER A 60 -12.029 2.326 -5.818 1.00 0.00 O ATOM 0 H SER A 60 -9.090 -0.098 -4.543 1.00 0.00 H new ATOM 0 HA SER A 60 -9.846 2.752 -4.819 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.042 0.519 -5.935 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.986 0.759 -4.479 1.00 0.00 H new ATOM 0 HG SER A 60 -12.820 1.971 -6.275 1.00 0.00 H new ATOM 614 N ILE A 61 -9.783 2.845 -2.329 1.00 0.00 N ATOM 615 CA ILE A 61 -9.942 3.029 -0.897 1.00 0.00 C ATOM 616 C ILE A 61 -10.656 4.357 -0.633 1.00 0.00 C ATOM 617 O ILE A 61 -10.627 5.258 -1.471 1.00 0.00 O ATOM 618 CB ILE A 61 -8.592 2.905 -0.189 1.00 0.00 C ATOM 619 CG1 ILE A 61 -7.707 4.118 -0.478 1.00 0.00 C ATOM 620 CG2 ILE A 61 -7.899 1.590 -0.554 1.00 0.00 C ATOM 621 CD1 ILE A 61 -6.386 4.031 0.288 1.00 0.00 C ATOM 0 H ILE A 61 -9.230 3.566 -2.793 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.569 2.242 -0.479 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.772 2.887 0.886 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.507 4.180 -1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.233 5.031 -0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.941 1.528 -0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.528 0.752 -0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.733 1.553 -1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.777 4.907 0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.588 3.994 1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.851 3.130 -0.011 1.00 0.00 H new ATOM 633 N PRO A 62 -11.294 4.437 0.564 1.00 0.00 N ATOM 634 CA PRO A 62 -12.014 5.641 0.948 1.00 0.00 C ATOM 635 C PRO A 62 -11.045 6.754 1.351 1.00 0.00 C ATOM 636 O PRO A 62 -10.107 6.521 2.112 1.00 0.00 O ATOM 637 CB PRO A 62 -12.926 5.208 2.084 1.00 0.00 C ATOM 638 CG PRO A 62 -12.353 3.898 2.602 1.00 0.00 C ATOM 639 CD PRO A 62 -11.349 3.390 1.579 1.00 0.00 C ATOM 0 HA PRO A 62 -12.594 6.064 0.128 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -12.953 5.961 2.872 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.950 5.075 1.734 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.871 4.048 3.568 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.147 3.167 2.752 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.371 3.225 2.032 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.666 2.439 1.151 1.00 0.00 H new ATOM 647 N GLY A 63 -11.306 7.941 0.823 1.00 0.00 N ATOM 648 CA GLY A 63 -10.468 9.091 1.118 1.00 0.00 C ATOM 649 C GLY A 63 -9.480 9.356 -0.020 1.00 0.00 C ATOM 650 O GLY A 63 -9.032 10.486 -0.206 1.00 0.00 O ATOM 0 H GLY A 63 -12.085 8.131 0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.093 9.970 1.274 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.922 8.919 2.046 1.00 0.00 H new ATOM 654 N ILE A 64 -9.171 8.297 -0.752 1.00 0.00 N ATOM 655 CA ILE A 64 -8.245 8.402 -1.866 1.00 0.00 C ATOM 656 C ILE A 64 -9.017 8.269 -3.181 1.00 0.00 C ATOM 657 O ILE A 64 -10.043 7.592 -3.235 1.00 0.00 O ATOM 658 CB ILE A 64 -7.109 7.387 -1.717 1.00 0.00 C ATOM 659 CG1 ILE A 64 -6.160 7.789 -0.585 1.00 0.00 C ATOM 660 CG2 ILE A 64 -6.369 7.192 -3.041 1.00 0.00 C ATOM 661 CD1 ILE A 64 -6.550 7.105 0.725 1.00 0.00 C ATOM 0 H ILE A 64 -9.546 7.361 -0.596 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.768 9.382 -1.872 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.545 6.425 -1.447 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.138 7.520 -0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.181 8.871 -0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.567 6.466 -2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.065 6.828 -3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.946 8.143 -3.365 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.860 7.407 1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.564 7.396 0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.504 6.023 0.598 1.00 0.00 H new ATOM 673 N SER A 65 -8.496 8.927 -4.206 1.00 0.00 N ATOM 674 CA SER A 65 -9.125 8.891 -5.515 1.00 0.00 C ATOM 675 C SER A 65 -8.555 7.734 -6.338 1.00 0.00 C ATOM 676 O SER A 65 -9.301 6.882 -6.818 1.00 0.00 O ATOM 677 CB SER A 65 -8.930 10.216 -6.256 1.00 0.00 C ATOM 678 OG SER A 65 -9.655 10.254 -7.483 1.00 0.00 O ATOM 0 H SER A 65 -7.646 9.488 -4.156 1.00 0.00 H new ATOM 0 HA SER A 65 -10.195 8.737 -5.376 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.253 11.039 -5.618 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.869 10.366 -6.457 1.00 0.00 H new ATOM 0 HG SER A 65 -9.506 11.116 -7.925 1.00 0.00 H new ATOM 684 N ARG A 66 -7.237 7.740 -6.476 1.00 0.00 N ATOM 685 CA ARG A 66 -6.559 6.703 -7.232 1.00 0.00 C ATOM 686 C ARG A 66 -5.101 6.586 -6.783 1.00 0.00 C ATOM 687 O ARG A 66 -4.452 7.592 -6.499 1.00 0.00 O ATOM 688 CB ARG A 66 -6.601 6.997 -8.732 1.00 0.00 C ATOM 689 CG ARG A 66 -8.017 6.824 -9.286 1.00 0.00 C ATOM 690 CD ARG A 66 -7.990 6.570 -10.794 1.00 0.00 C ATOM 691 NE ARG A 66 -9.142 5.728 -11.186 1.00 0.00 N ATOM 692 CZ ARG A 66 -9.330 5.238 -12.420 1.00 0.00 C ATOM 693 NH1 ARG A 66 -8.442 5.505 -13.388 1.00 0.00 N ATOM 694 NH2 ARG A 66 -10.404 4.483 -12.684 1.00 0.00 N ATOM 0 H ARG A 66 -6.621 8.448 -6.076 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.078 5.763 -7.043 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.256 8.015 -8.916 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.918 6.329 -9.256 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.509 5.992 -8.782 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.605 7.717 -9.075 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.022 7.518 -11.331 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.058 6.078 -11.072 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.837 5.506 -10.473 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.624 6.080 -13.186 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.584 5.133 -14.327 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.079 4.281 -11.946 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.547 4.110 -13.623 1.00 0.00 H new ATOM 708 N ILE A 67 -4.626 5.350 -6.733 1.00 0.00 N ATOM 709 CA ILE A 67 -3.257 5.089 -6.324 1.00 0.00 C ATOM 710 C ILE A 67 -2.691 3.937 -7.157 1.00 0.00 C ATOM 711 O ILE A 67 -3.441 3.090 -7.642 1.00 0.00 O ATOM 712 CB ILE A 67 -3.185 4.851 -4.815 1.00 0.00 C ATOM 713 CG1 ILE A 67 -4.162 3.753 -4.385 1.00 0.00 C ATOM 714 CG2 ILE A 67 -3.411 6.152 -4.042 1.00 0.00 C ATOM 715 CD1 ILE A 67 -5.520 4.345 -4.007 1.00 0.00 C ATOM 0 H ILE A 67 -5.166 4.518 -6.969 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.629 5.959 -6.516 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.181 4.503 -4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.287 3.035 -5.195 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.750 3.207 -3.536 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.355 5.954 -2.972 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.645 6.877 -4.318 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.395 6.554 -4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.195 3.544 -3.706 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.395 5.044 -3.180 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.940 4.869 -4.865 1.00 0.00 H new ATOM 727 N GLU A 68 -1.374 3.941 -7.297 1.00 0.00 N ATOM 728 CA GLU A 68 -0.700 2.906 -8.062 1.00 0.00 C ATOM 729 C GLU A 68 0.129 2.015 -7.134 1.00 0.00 C ATOM 730 O GLU A 68 0.827 2.510 -6.251 1.00 0.00 O ATOM 731 CB GLU A 68 0.175 3.517 -9.159 1.00 0.00 C ATOM 732 CG GLU A 68 -0.532 3.466 -10.515 1.00 0.00 C ATOM 733 CD GLU A 68 0.118 4.430 -11.509 1.00 0.00 C ATOM 734 OE1 GLU A 68 1.310 4.743 -11.299 1.00 0.00 O ATOM 735 OE2 GLU A 68 -0.590 4.831 -12.456 1.00 0.00 O ATOM 0 H GLU A 68 -0.755 4.645 -6.894 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.457 2.289 -8.547 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.412 4.551 -8.907 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.121 2.978 -9.217 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.495 2.451 -10.910 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.584 3.721 -10.390 1.00 0.00 H new ATOM 742 N ILE A 69 0.023 0.715 -7.367 1.00 0.00 N ATOM 743 CA ILE A 69 0.755 -0.250 -6.563 1.00 0.00 C ATOM 744 C ILE A 69 1.589 -1.145 -7.481 1.00 0.00 C ATOM 745 O ILE A 69 1.168 -1.465 -8.592 1.00 0.00 O ATOM 746 CB ILE A 69 -0.202 -1.024 -5.653 1.00 0.00 C ATOM 747 CG1 ILE A 69 -0.625 -0.176 -4.453 1.00 0.00 C ATOM 748 CG2 ILE A 69 0.408 -2.360 -5.226 1.00 0.00 C ATOM 749 CD1 ILE A 69 -1.721 0.818 -4.842 1.00 0.00 C ATOM 0 H ILE A 69 -0.558 0.307 -8.100 1.00 0.00 H new ATOM 0 HA ILE A 69 1.451 0.259 -5.896 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.105 -1.250 -6.220 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.984 -0.824 -3.654 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.238 0.363 -4.062 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.292 -2.890 -4.580 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.615 -2.964 -6.109 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.336 -2.179 -4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.003 1.408 -3.970 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.350 1.481 -5.624 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.591 0.274 -5.209 1.00 0.00 H new ATOM 761 N LYS A 70 2.758 -1.522 -6.984 1.00 0.00 N ATOM 762 CA LYS A 70 3.655 -2.374 -7.747 1.00 0.00 C ATOM 763 C LYS A 70 4.320 -3.381 -6.805 1.00 0.00 C ATOM 764 O LYS A 70 5.333 -3.076 -6.180 1.00 0.00 O ATOM 765 CB LYS A 70 4.652 -1.527 -8.542 1.00 0.00 C ATOM 766 CG LYS A 70 4.257 -1.458 -10.018 1.00 0.00 C ATOM 767 CD LYS A 70 3.313 -0.283 -10.281 1.00 0.00 C ATOM 768 CE LYS A 70 4.101 0.982 -10.630 1.00 0.00 C ATOM 769 NZ LYS A 70 3.186 2.135 -10.788 1.00 0.00 N ATOM 0 H LYS A 70 3.105 -1.253 -6.063 1.00 0.00 H new ATOM 0 HA LYS A 70 3.097 -2.948 -8.487 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.693 -0.521 -8.125 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.651 -1.952 -8.449 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.151 -1.355 -10.633 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.774 -2.390 -10.312 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.635 -0.531 -11.098 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.697 -0.102 -9.400 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.829 1.192 -9.846 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.662 0.826 -11.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.457 2.680 -11.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.210 1.792 -10.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.247 2.745 -9.948 1.00 0.00 H new ATOM 783 N PRO A 71 3.704 -4.591 -6.732 1.00 0.00 N ATOM 784 CA PRO A 71 4.224 -5.644 -5.876 1.00 0.00 C ATOM 785 C PRO A 71 5.474 -6.280 -6.488 1.00 0.00 C ATOM 786 O PRO A 71 5.461 -6.693 -7.645 1.00 0.00 O ATOM 787 CB PRO A 71 3.075 -6.627 -5.719 1.00 0.00 C ATOM 788 CG PRO A 71 2.113 -6.330 -6.859 1.00 0.00 C ATOM 789 CD PRO A 71 2.500 -4.987 -7.457 1.00 0.00 C ATOM 0 HA PRO A 71 4.550 -5.273 -4.904 1.00 0.00 H new ATOM 0 HB2 PRO A 71 3.432 -7.656 -5.767 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.585 -6.504 -4.753 1.00 0.00 H new ATOM 0 HG2 PRO A 71 2.164 -7.113 -7.615 1.00 0.00 H new ATOM 0 HG3 PRO A 71 1.086 -6.304 -6.495 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.692 -5.070 -8.527 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.703 -4.254 -7.332 1.00 0.00 H new ATOM 797 N ASP A 72 6.524 -6.335 -5.682 1.00 0.00 N ATOM 798 CA ASP A 72 7.780 -6.913 -6.130 1.00 0.00 C ATOM 799 C ASP A 72 8.259 -7.942 -5.103 1.00 0.00 C ATOM 800 O ASP A 72 7.880 -7.878 -3.934 1.00 0.00 O ATOM 801 CB ASP A 72 8.863 -5.840 -6.264 1.00 0.00 C ATOM 802 CG ASP A 72 9.682 -5.905 -7.553 1.00 0.00 C ATOM 803 OD1 ASP A 72 9.080 -6.257 -8.591 1.00 0.00 O ATOM 804 OD2 ASP A 72 10.892 -5.601 -7.473 1.00 0.00 O ATOM 0 H ASP A 72 6.531 -5.989 -4.722 1.00 0.00 H new ATOM 0 HA ASP A 72 7.610 -7.378 -7.101 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.391 -4.859 -6.200 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.542 -5.923 -5.415 1.00 0.00 H new ATOM 809 N LYS A 73 9.082 -8.864 -5.576 1.00 0.00 N ATOM 810 CA LYS A 73 9.617 -9.905 -4.715 1.00 0.00 C ATOM 811 C LYS A 73 10.347 -9.260 -3.535 1.00 0.00 C ATOM 812 O LYS A 73 10.202 -9.699 -2.395 1.00 0.00 O ATOM 813 CB LYS A 73 10.483 -10.874 -5.519 1.00 0.00 C ATOM 814 CG LYS A 73 9.747 -12.193 -5.767 1.00 0.00 C ATOM 815 CD LYS A 73 10.263 -13.293 -4.838 1.00 0.00 C ATOM 816 CE LYS A 73 9.826 -14.674 -5.329 1.00 0.00 C ATOM 817 NZ LYS A 73 10.413 -15.736 -4.480 1.00 0.00 N ATOM 0 H LYS A 73 9.393 -8.913 -6.546 1.00 0.00 H new ATOM 0 HA LYS A 73 8.809 -10.507 -4.299 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.754 -10.420 -6.472 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.412 -11.067 -4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.678 -12.052 -5.610 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.879 -12.497 -6.805 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.351 -13.249 -4.786 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.888 -13.127 -3.828 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.738 -14.745 -5.311 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.138 -14.814 -6.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.106 -16.667 -4.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.451 -15.677 -4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.095 -15.611 -3.498 1.00 0.00 H new ATOM 831 N ARG A 74 11.115 -8.227 -3.850 1.00 0.00 N ATOM 832 CA ARG A 74 11.869 -7.517 -2.831 1.00 0.00 C ATOM 833 C ARG A 74 10.919 -6.781 -1.884 1.00 0.00 C ATOM 834 O ARG A 74 10.759 -7.173 -0.730 1.00 0.00 O ATOM 835 CB ARG A 74 12.833 -6.509 -3.461 1.00 0.00 C ATOM 836 CG ARG A 74 14.266 -6.744 -2.978 1.00 0.00 C ATOM 837 CD ARG A 74 14.479 -6.148 -1.584 1.00 0.00 C ATOM 838 NE ARG A 74 15.632 -5.220 -1.604 1.00 0.00 N ATOM 839 CZ ARG A 74 16.912 -5.610 -1.526 1.00 0.00 C ATOM 840 NH1 ARG A 74 17.211 -6.912 -1.425 1.00 0.00 N ATOM 841 NH2 ARG A 74 17.893 -4.698 -1.550 1.00 0.00 N ATOM 0 H ARG A 74 11.231 -7.865 -4.796 1.00 0.00 H new ATOM 0 HA ARG A 74 12.446 -8.254 -2.272 1.00 0.00 H new ATOM 0 HB2 ARG A 74 12.793 -6.593 -4.547 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.522 -5.496 -3.208 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.476 -7.813 -2.956 1.00 0.00 H new ATOM 0 HG3 ARG A 74 14.969 -6.296 -3.680 1.00 0.00 H new ATOM 0 HD2 ARG A 74 13.581 -5.619 -1.264 1.00 0.00 H new ATOM 0 HD3 ARG A 74 14.655 -6.945 -0.861 1.00 0.00 H new ATOM 0 HE ARG A 74 15.440 -4.221 -1.682 1.00 0.00 H new ATOM 0 HH11 ARG A 74 16.464 -7.607 -1.407 1.00 0.00 H new ATOM 0 HH12 ARG A 74 18.185 -7.208 -1.366 1.00 0.00 H new ATOM 0 HH21 ARG A 74 17.666 -3.707 -1.628 1.00 0.00 H new ATOM 0 HH22 ARG A 74 18.867 -4.995 -1.491 1.00 0.00 H new ATOM 855 N LYS A 75 10.312 -5.726 -2.408 1.00 0.00 N ATOM 856 CA LYS A 75 9.382 -4.931 -1.624 1.00 0.00 C ATOM 857 C LYS A 75 8.291 -4.378 -2.544 1.00 0.00 C ATOM 858 O LYS A 75 8.231 -4.725 -3.722 1.00 0.00 O ATOM 859 CB LYS A 75 10.128 -3.854 -0.836 1.00 0.00 C ATOM 860 CG LYS A 75 10.841 -2.881 -1.778 1.00 0.00 C ATOM 861 CD LYS A 75 12.356 -2.927 -1.572 1.00 0.00 C ATOM 862 CE LYS A 75 12.956 -1.520 -1.602 1.00 0.00 C ATOM 863 NZ LYS A 75 14.341 -1.559 -2.126 1.00 0.00 N ATOM 0 H LYS A 75 10.446 -5.403 -3.366 1.00 0.00 H new ATOM 0 HA LYS A 75 8.886 -5.551 -0.877 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.426 -3.308 -0.206 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.855 -4.322 -0.172 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.604 -3.131 -2.812 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.478 -1.868 -1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.583 -3.403 -0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.814 -3.538 -2.350 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.343 -0.870 -2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.952 -1.095 -0.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.734 -0.596 -2.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.927 -2.163 -1.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.336 -1.945 -3.092 1.00 0.00 H new ATOM 877 N ILE A 76 7.456 -3.523 -1.970 1.00 0.00 N ATOM 878 CA ILE A 76 6.371 -2.917 -2.722 1.00 0.00 C ATOM 879 C ILE A 76 6.451 -1.396 -2.588 1.00 0.00 C ATOM 880 O ILE A 76 7.085 -0.882 -1.668 1.00 0.00 O ATOM 881 CB ILE A 76 5.026 -3.503 -2.289 1.00 0.00 C ATOM 882 CG1 ILE A 76 4.515 -2.820 -1.018 1.00 0.00 C ATOM 883 CG2 ILE A 76 5.115 -5.023 -2.127 1.00 0.00 C ATOM 884 CD1 ILE A 76 3.071 -3.228 -0.720 1.00 0.00 C ATOM 0 H ILE A 76 7.510 -3.236 -0.993 1.00 0.00 H new ATOM 0 HA ILE A 76 6.467 -3.149 -3.783 1.00 0.00 H new ATOM 0 HB ILE A 76 4.298 -3.306 -3.076 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.153 -3.087 -0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.575 -1.738 -1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.145 -5.413 -1.819 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.402 -5.474 -3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.861 -5.265 -1.370 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.732 -2.729 0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.432 -2.938 -1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.019 -4.308 -0.581 1.00 0.00 H new ATOM 896 N LEU A 77 5.800 -0.716 -3.521 1.00 0.00 N ATOM 897 CA LEU A 77 5.789 0.737 -3.519 1.00 0.00 C ATOM 898 C LEU A 77 4.406 1.233 -3.945 1.00 0.00 C ATOM 899 O LEU A 77 3.681 0.534 -4.650 1.00 0.00 O ATOM 900 CB LEU A 77 6.930 1.282 -4.381 1.00 0.00 C ATOM 901 CG LEU A 77 7.447 0.350 -5.478 1.00 0.00 C ATOM 902 CD1 LEU A 77 8.121 -0.885 -4.877 1.00 0.00 C ATOM 903 CD2 LEU A 77 6.327 -0.025 -6.450 1.00 0.00 C ATOM 0 H LEU A 77 5.276 -1.145 -4.284 1.00 0.00 H new ATOM 0 HA LEU A 77 5.969 1.118 -2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.596 2.209 -4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.763 1.537 -3.726 1.00 0.00 H new ATOM 0 HG LEU A 77 8.206 0.884 -6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.479 -1.530 -5.679 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.962 -0.575 -4.257 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.402 -1.431 -4.266 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.721 -0.688 -7.220 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.529 -0.532 -5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.932 0.878 -6.916 1.00 0.00 H new ATOM 915 N VAL A 78 4.082 2.438 -3.498 1.00 0.00 N ATOM 916 CA VAL A 78 2.798 3.037 -3.824 1.00 0.00 C ATOM 917 C VAL A 78 3.015 4.478 -4.288 1.00 0.00 C ATOM 918 O VAL A 78 3.932 5.153 -3.819 1.00 0.00 O ATOM 919 CB VAL A 78 1.852 2.929 -2.627 1.00 0.00 C ATOM 920 CG1 VAL A 78 0.404 2.747 -3.088 1.00 0.00 C ATOM 921 CG2 VAL A 78 2.276 1.794 -1.693 1.00 0.00 C ATOM 0 H VAL A 78 4.686 3.016 -2.913 1.00 0.00 H new ATOM 0 HA VAL A 78 2.323 2.500 -4.645 1.00 0.00 H new ATOM 0 HB VAL A 78 1.912 3.863 -2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.248 2.673 -2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.105 3.602 -3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.323 1.836 -3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.587 1.739 -0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.260 0.850 -2.237 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.284 1.983 -1.325 1.00 0.00 H new ATOM 931 N ASN A 79 2.158 4.909 -5.200 1.00 0.00 N ATOM 932 CA ASN A 79 2.244 6.259 -5.731 1.00 0.00 C ATOM 933 C ASN A 79 0.850 6.888 -5.742 1.00 0.00 C ATOM 934 O ASN A 79 -0.065 6.368 -6.382 1.00 0.00 O ATOM 935 CB ASN A 79 2.772 6.253 -7.166 1.00 0.00 C ATOM 936 CG ASN A 79 3.039 7.678 -7.658 1.00 0.00 C ATOM 937 OD1 ASN A 79 2.298 8.607 -7.379 1.00 0.00 O ATOM 938 ND2 ASN A 79 4.133 7.797 -8.405 1.00 0.00 N ATOM 0 H ASN A 79 1.399 4.347 -5.586 1.00 0.00 H new ATOM 0 HA ASN A 79 2.926 6.828 -5.098 1.00 0.00 H new ATOM 0 HB2 ASN A 79 3.691 5.669 -7.217 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.049 5.768 -7.821 1.00 0.00 H new ATOM 0 HD21 ASN A 79 4.396 8.707 -8.783 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.709 6.978 -8.600 1.00 0.00 H new ATOM 945 N THR A 80 0.729 7.997 -5.028 1.00 0.00 N ATOM 946 CA THR A 80 -0.539 8.702 -4.949 1.00 0.00 C ATOM 947 C THR A 80 -0.622 9.773 -6.039 1.00 0.00 C ATOM 948 O THR A 80 0.247 10.638 -6.134 1.00 0.00 O ATOM 949 CB THR A 80 -0.678 9.266 -3.533 1.00 0.00 C ATOM 950 OG1 THR A 80 0.245 10.352 -3.499 1.00 0.00 O ATOM 951 CG2 THR A 80 -0.158 8.302 -2.465 1.00 0.00 C ATOM 0 H THR A 80 1.489 8.425 -4.499 1.00 0.00 H new ATOM 0 HA THR A 80 -1.378 8.030 -5.132 1.00 0.00 H new ATOM 0 HB THR A 80 -1.725 9.496 -3.336 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.642 10.472 -4.387 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.280 8.751 -1.479 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.721 7.370 -2.511 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.898 8.098 -2.642 1.00 0.00 H new ATOM 959 N GLY A 81 -1.678 9.680 -6.834 1.00 0.00 N ATOM 960 CA GLY A 81 -1.888 10.628 -7.915 1.00 0.00 C ATOM 961 C GLY A 81 -2.793 11.777 -7.467 1.00 0.00 C ATOM 962 O GLY A 81 -2.356 12.925 -7.396 1.00 0.00 O ATOM 0 H GLY A 81 -2.398 8.962 -6.751 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.929 11.024 -8.248 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.336 10.119 -8.768 1.00 0.00 H new ATOM 966 N ASP A 82 -4.038 11.428 -7.177 1.00 0.00 N ATOM 967 CA ASP A 82 -5.009 12.417 -6.738 1.00 0.00 C ATOM 968 C ASP A 82 -5.784 11.866 -5.540 1.00 0.00 C ATOM 969 O ASP A 82 -5.985 10.658 -5.428 1.00 0.00 O ATOM 970 CB ASP A 82 -6.015 12.733 -7.847 1.00 0.00 C ATOM 971 CG ASP A 82 -6.569 14.158 -7.832 1.00 0.00 C ATOM 972 OD1 ASP A 82 -5.913 15.028 -8.443 1.00 0.00 O ATOM 973 OD2 ASP A 82 -7.637 14.344 -7.209 1.00 0.00 O ATOM 0 H ASP A 82 -4.397 10.475 -7.237 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.468 13.326 -6.473 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.538 12.555 -8.811 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.848 12.035 -7.770 1.00 0.00 H new ATOM 978 N TYR A 83 -6.201 12.780 -4.675 1.00 0.00 N ATOM 979 CA TYR A 83 -6.951 12.400 -3.489 1.00 0.00 C ATOM 980 C TYR A 83 -8.297 13.127 -3.435 1.00 0.00 C ATOM 981 O TYR A 83 -8.485 14.142 -4.103 1.00 0.00 O ATOM 982 CB TYR A 83 -6.100 12.839 -2.294 1.00 0.00 C ATOM 983 CG TYR A 83 -5.253 11.717 -1.689 1.00 0.00 C ATOM 984 CD1 TYR A 83 -4.692 10.758 -2.508 1.00 0.00 C ATOM 985 CD2 TYR A 83 -5.049 11.666 -0.326 1.00 0.00 C ATOM 986 CE1 TYR A 83 -3.896 9.702 -1.939 1.00 0.00 C ATOM 987 CE2 TYR A 83 -4.252 10.612 0.244 1.00 0.00 C ATOM 988 CZ TYR A 83 -3.714 9.682 -0.591 1.00 0.00 C ATOM 989 OH TYR A 83 -2.960 8.684 -0.053 1.00 0.00 O ATOM 0 H TYR A 83 -6.034 13.782 -4.772 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.152 11.329 -3.489 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.441 13.649 -2.608 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.756 13.242 -1.522 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.850 10.800 -3.576 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -5.488 12.417 0.314 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -3.454 8.943 -2.568 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -4.085 10.560 1.310 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.124 7.850 -0.541 1.00 0.00 H new ATOM 999 N ASP A 84 -9.198 12.577 -2.636 1.00 0.00 N ATOM 1000 CA ASP A 84 -10.520 13.160 -2.486 1.00 0.00 C ATOM 1001 C ASP A 84 -10.406 14.685 -2.503 1.00 0.00 C ATOM 1002 O ASP A 84 -9.428 15.243 -2.008 1.00 0.00 O ATOM 1003 CB ASP A 84 -11.158 12.748 -1.157 1.00 0.00 C ATOM 1004 CG ASP A 84 -12.612 12.285 -1.252 1.00 0.00 C ATOM 1005 OD1 ASP A 84 -13.383 12.979 -1.947 1.00 0.00 O ATOM 1006 OD2 ASP A 84 -12.918 11.246 -0.629 1.00 0.00 O ATOM 0 H ASP A 84 -9.039 11.733 -2.085 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.140 12.803 -3.309 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.565 11.944 -0.721 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -11.106 13.592 -0.469 1.00 0.00 H new ATOM 1011 N SER A 85 -11.419 15.317 -3.077 1.00 0.00 N ATOM 1012 CA SER A 85 -11.444 16.767 -3.164 1.00 0.00 C ATOM 1013 C SER A 85 -12.071 17.357 -1.900 1.00 0.00 C ATOM 1014 O SER A 85 -11.858 18.526 -1.585 1.00 0.00 O ATOM 1015 CB SER A 85 -12.213 17.230 -4.404 1.00 0.00 C ATOM 1016 OG SER A 85 -11.701 18.455 -4.922 1.00 0.00 O ATOM 0 H SER A 85 -12.229 14.851 -3.487 1.00 0.00 H new ATOM 0 HA SER A 85 -10.417 17.122 -3.252 1.00 0.00 H new ATOM 0 HB2 SER A 85 -12.158 16.460 -5.173 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.266 17.355 -4.152 1.00 0.00 H new ATOM 0 HG SER A 85 -12.217 18.717 -5.713 1.00 0.00 H new ATOM 1022 N ASP A 86 -12.834 16.520 -1.211 1.00 0.00 N ATOM 1023 CA ASP A 86 -13.493 16.945 0.012 1.00 0.00 C ATOM 1024 C ASP A 86 -12.680 16.469 1.217 1.00 0.00 C ATOM 1025 O ASP A 86 -12.159 17.282 1.979 1.00 0.00 O ATOM 1026 CB ASP A 86 -14.895 16.340 0.121 1.00 0.00 C ATOM 1027 CG ASP A 86 -15.989 17.107 -0.625 1.00 0.00 C ATOM 1028 OD1 ASP A 86 -16.122 18.319 -0.345 1.00 0.00 O ATOM 1029 OD2 ASP A 86 -16.667 16.465 -1.454 1.00 0.00 O ATOM 0 H ASP A 86 -13.010 15.551 -1.476 1.00 0.00 H new ATOM 0 HA ASP A 86 -13.568 18.032 -0.007 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.864 15.319 -0.259 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -15.168 16.280 1.175 1.00 0.00 H new ATOM 1034 N ALA A 87 -12.595 15.152 1.353 1.00 0.00 N ATOM 1035 CA ALA A 87 -11.854 14.560 2.451 1.00 0.00 C ATOM 1036 C ALA A 87 -10.467 15.203 2.533 1.00 0.00 C ATOM 1037 O ALA A 87 -9.852 15.495 1.508 1.00 0.00 O ATOM 1038 CB ALA A 87 -11.781 13.044 2.259 1.00 0.00 C ATOM 0 H ALA A 87 -13.028 14.480 0.720 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.360 14.746 3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.224 12.599 3.084 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.789 12.631 2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.277 12.820 1.319 1.00 0.00 H new ATOM 1044 N ASP A 88 -10.016 15.407 3.761 1.00 0.00 N ATOM 1045 CA ASP A 88 -8.714 16.011 3.989 1.00 0.00 C ATOM 1046 C ASP A 88 -7.620 15.020 3.588 1.00 0.00 C ATOM 1047 O ASP A 88 -7.472 13.968 4.206 1.00 0.00 O ATOM 1048 CB ASP A 88 -8.519 16.358 5.466 1.00 0.00 C ATOM 1049 CG ASP A 88 -9.066 17.722 5.889 1.00 0.00 C ATOM 1050 OD1 ASP A 88 -9.175 18.591 4.996 1.00 0.00 O ATOM 1051 OD2 ASP A 88 -9.363 17.867 7.094 1.00 0.00 O ATOM 0 H ASP A 88 -10.528 15.165 4.609 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.656 16.922 3.394 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.998 15.588 6.071 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.454 16.325 5.694 1.00 0.00 H new ATOM 1056 N LYS A 89 -6.878 15.394 2.554 1.00 0.00 N ATOM 1057 CA LYS A 89 -5.802 14.551 2.062 1.00 0.00 C ATOM 1058 C LYS A 89 -4.941 14.092 3.241 1.00 0.00 C ATOM 1059 O LYS A 89 -4.372 13.002 3.211 1.00 0.00 O ATOM 1060 CB LYS A 89 -5.013 15.273 0.969 1.00 0.00 C ATOM 1061 CG LYS A 89 -4.412 16.578 1.496 1.00 0.00 C ATOM 1062 CD LYS A 89 -3.223 17.020 0.640 1.00 0.00 C ATOM 1063 CE LYS A 89 -2.479 18.186 1.295 1.00 0.00 C ATOM 1064 NZ LYS A 89 -1.392 17.685 2.163 1.00 0.00 N ATOM 0 H LYS A 89 -7.002 16.269 2.045 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.205 13.654 1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.218 14.625 0.602 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.667 15.485 0.123 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -5.173 17.358 1.498 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -4.091 16.443 2.529 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -2.541 16.182 0.499 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -3.573 17.317 -0.349 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.066 18.839 0.526 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -3.175 18.785 1.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.909 18.489 2.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.791 17.066 2.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.710 17.147 1.590 1.00 0.00 H new ATOM 1078 N LEU A 90 -4.871 14.948 4.251 1.00 0.00 N ATOM 1079 CA LEU A 90 -4.088 14.643 5.436 1.00 0.00 C ATOM 1080 C LEU A 90 -4.857 13.650 6.308 1.00 0.00 C ATOM 1081 O LEU A 90 -4.256 12.815 6.984 1.00 0.00 O ATOM 1082 CB LEU A 90 -3.700 15.931 6.165 1.00 0.00 C ATOM 1083 CG LEU A 90 -2.283 15.976 6.738 1.00 0.00 C ATOM 1084 CD1 LEU A 90 -1.243 16.057 5.619 1.00 0.00 C ATOM 1085 CD2 LEU A 90 -2.132 17.119 7.743 1.00 0.00 C ATOM 0 H LEU A 90 -5.344 15.852 4.272 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.149 14.164 5.161 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.818 16.766 5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.406 16.090 6.980 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.104 15.047 7.279 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.243 16.088 6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.332 15.182 4.975 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.411 16.959 5.031 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.115 17.127 8.134 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.338 18.068 7.248 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.835 16.977 8.564 1.00 0.00 H new ATOM 1097 N ALA A 91 -6.177 13.771 6.266 1.00 0.00 N ATOM 1098 CA ALA A 91 -7.034 12.894 7.043 1.00 0.00 C ATOM 1099 C ALA A 91 -7.095 11.520 6.372 1.00 0.00 C ATOM 1100 O ALA A 91 -6.906 10.496 7.029 1.00 0.00 O ATOM 1101 CB ALA A 91 -8.418 13.530 7.191 1.00 0.00 C ATOM 0 H ALA A 91 -6.673 14.464 5.705 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.629 12.755 8.046 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.061 12.871 7.774 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.325 14.490 7.700 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.855 13.683 6.204 1.00 0.00 H new ATOM 1107 N VAL A 92 -7.356 11.541 5.075 1.00 0.00 N ATOM 1108 CA VAL A 92 -7.443 10.310 4.307 1.00 0.00 C ATOM 1109 C VAL A 92 -6.107 9.570 4.387 1.00 0.00 C ATOM 1110 O VAL A 92 -6.069 8.342 4.320 1.00 0.00 O ATOM 1111 CB VAL A 92 -7.871 10.617 2.872 1.00 0.00 C ATOM 1112 CG1 VAL A 92 -9.139 11.476 2.849 1.00 0.00 C ATOM 1113 CG2 VAL A 92 -6.740 11.290 2.093 1.00 0.00 C ATOM 0 H VAL A 92 -7.511 12.392 4.534 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.205 9.652 4.725 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.098 9.670 2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -9.422 11.680 1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -9.948 10.943 3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.950 12.417 3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.072 11.497 1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.467 12.225 2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.874 10.629 2.065 1.00 0.00 H new ATOM 1123 N VAL A 93 -5.044 10.347 4.528 1.00 0.00 N ATOM 1124 CA VAL A 93 -3.708 9.781 4.618 1.00 0.00 C ATOM 1125 C VAL A 93 -3.694 8.687 5.688 1.00 0.00 C ATOM 1126 O VAL A 93 -3.017 7.672 5.533 1.00 0.00 O ATOM 1127 CB VAL A 93 -2.685 10.888 4.880 1.00 0.00 C ATOM 1128 CG1 VAL A 93 -1.476 10.348 5.645 1.00 0.00 C ATOM 1129 CG2 VAL A 93 -2.255 11.557 3.573 1.00 0.00 C ATOM 0 H VAL A 93 -5.080 11.365 4.582 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.426 9.316 3.673 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.162 11.645 5.502 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.765 11.155 5.818 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.803 9.941 6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.998 9.562 5.061 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.528 12.340 3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.805 10.814 2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.126 11.994 3.085 1.00 0.00 H new ATOM 1139 N ARG A 94 -4.447 8.933 6.750 1.00 0.00 N ATOM 1140 CA ARG A 94 -4.528 7.983 7.845 1.00 0.00 C ATOM 1141 C ARG A 94 -5.157 6.672 7.365 1.00 0.00 C ATOM 1142 O ARG A 94 -4.866 5.606 7.907 1.00 0.00 O ATOM 1143 CB ARG A 94 -5.359 8.544 9.001 1.00 0.00 C ATOM 1144 CG ARG A 94 -4.713 9.804 9.579 1.00 0.00 C ATOM 1145 CD ARG A 94 -3.885 9.475 10.823 1.00 0.00 C ATOM 1146 NE ARG A 94 -4.566 9.984 12.034 1.00 0.00 N ATOM 1147 CZ ARG A 94 -4.641 11.279 12.365 1.00 0.00 C ATOM 1148 NH1 ARG A 94 -4.078 12.206 11.578 1.00 0.00 N ATOM 1149 NH2 ARG A 94 -5.280 11.649 13.483 1.00 0.00 N ATOM 0 H ARG A 94 -5.006 9.777 6.875 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.514 7.797 8.198 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -6.366 8.774 8.652 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -5.457 7.790 9.782 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -4.076 10.268 8.826 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -5.486 10.529 9.834 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.744 8.397 10.901 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -2.894 9.921 10.739 1.00 0.00 H new ATOM 0 HE ARG A 94 -5.006 9.306 12.656 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -3.592 11.925 10.726 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.135 13.193 11.831 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.709 10.944 14.082 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.337 12.636 13.735 1.00 0.00 H new ATOM 1163 N THR A 95 -6.004 6.794 6.355 1.00 0.00 N ATOM 1164 CA THR A 95 -6.674 5.634 5.796 1.00 0.00 C ATOM 1165 C THR A 95 -5.803 4.980 4.722 1.00 0.00 C ATOM 1166 O THR A 95 -5.800 3.758 4.578 1.00 0.00 O ATOM 1167 CB THR A 95 -8.044 6.080 5.278 1.00 0.00 C ATOM 1168 OG1 THR A 95 -8.822 6.250 6.459 1.00 0.00 O ATOM 1169 CG2 THR A 95 -8.768 4.975 4.508 1.00 0.00 C ATOM 0 H THR A 95 -6.242 7.680 5.909 1.00 0.00 H new ATOM 0 HA THR A 95 -6.832 4.867 6.554 1.00 0.00 H new ATOM 0 HB THR A 95 -7.923 6.950 4.632 1.00 0.00 H new ATOM 0 HG1 THR A 95 -9.726 6.541 6.216 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.734 5.345 4.163 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.167 4.676 3.650 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.920 4.116 5.161 1.00 0.00 H new ATOM 1177 N TYR A 96 -5.085 5.823 3.994 1.00 0.00 N ATOM 1178 CA TYR A 96 -4.211 5.342 2.938 1.00 0.00 C ATOM 1179 C TYR A 96 -3.141 4.403 3.496 1.00 0.00 C ATOM 1180 O TYR A 96 -2.888 3.339 2.931 1.00 0.00 O ATOM 1181 CB TYR A 96 -3.530 6.583 2.357 1.00 0.00 C ATOM 1182 CG TYR A 96 -2.437 6.272 1.331 1.00 0.00 C ATOM 1183 CD1 TYR A 96 -2.771 5.705 0.118 1.00 0.00 C ATOM 1184 CD2 TYR A 96 -1.119 6.556 1.623 1.00 0.00 C ATOM 1185 CE1 TYR A 96 -1.743 5.412 -0.846 1.00 0.00 C ATOM 1186 CE2 TYR A 96 -0.090 6.262 0.658 1.00 0.00 C ATOM 1187 CZ TYR A 96 -0.454 5.706 -0.530 1.00 0.00 C ATOM 1188 OH TYR A 96 0.519 5.428 -1.440 1.00 0.00 O ATOM 0 H TYR A 96 -5.091 6.836 4.115 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.780 4.788 2.191 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.286 7.213 1.888 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.095 7.161 3.172 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -3.803 5.481 -0.108 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -0.859 6.998 2.573 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.990 4.968 -1.799 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.946 6.478 0.872 1.00 0.00 H new ATOM 0 HH TYR A 96 1.398 5.587 -1.038 1.00 0.00 H new ATOM 1198 N ASN A 97 -2.540 4.829 4.598 1.00 0.00 N ATOM 1199 CA ASN A 97 -1.503 4.039 5.238 1.00 0.00 C ATOM 1200 C ASN A 97 -2.129 2.786 5.854 1.00 0.00 C ATOM 1201 O ASN A 97 -1.519 1.718 5.852 1.00 0.00 O ATOM 1202 CB ASN A 97 -0.824 4.827 6.359 1.00 0.00 C ATOM 1203 CG ASN A 97 0.542 5.351 5.911 1.00 0.00 C ATOM 1204 OD1 ASN A 97 1.558 4.685 6.023 1.00 0.00 O ATOM 1205 ND2 ASN A 97 0.510 6.579 5.400 1.00 0.00 N ATOM 0 H ASN A 97 -2.752 5.711 5.063 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.763 3.777 4.481 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.458 5.662 6.657 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.704 4.190 7.235 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.371 7.018 5.073 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.375 7.081 5.335 1.00 0.00 H new ATOM 1212 N ASP A 98 -3.339 2.958 6.365 1.00 0.00 N ATOM 1213 CA ASP A 98 -4.055 1.855 6.982 1.00 0.00 C ATOM 1214 C ASP A 98 -4.157 0.698 5.986 1.00 0.00 C ATOM 1215 O ASP A 98 -4.019 -0.464 6.362 1.00 0.00 O ATOM 1216 CB ASP A 98 -5.475 2.269 7.375 1.00 0.00 C ATOM 1217 CG ASP A 98 -6.002 1.631 8.660 1.00 0.00 C ATOM 1218 OD1 ASP A 98 -5.224 1.595 9.637 1.00 0.00 O ATOM 1219 OD2 ASP A 98 -7.173 1.192 8.636 1.00 0.00 O ATOM 0 H ASP A 98 -3.842 3.845 6.364 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.507 1.556 7.876 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.503 3.353 7.487 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.150 2.015 6.558 1.00 0.00 H new ATOM 1224 N PHE A 99 -4.402 1.058 4.735 1.00 0.00 N ATOM 1225 CA PHE A 99 -4.525 0.064 3.681 1.00 0.00 C ATOM 1226 C PHE A 99 -3.206 -0.683 3.474 1.00 0.00 C ATOM 1227 O PHE A 99 -3.175 -1.913 3.502 1.00 0.00 O ATOM 1228 CB PHE A 99 -4.878 0.817 2.396 1.00 0.00 C ATOM 1229 CG PHE A 99 -4.684 -0.005 1.120 1.00 0.00 C ATOM 1230 CD1 PHE A 99 -3.446 -0.127 0.570 1.00 0.00 C ATOM 1231 CD2 PHE A 99 -5.750 -0.617 0.536 1.00 0.00 C ATOM 1232 CE1 PHE A 99 -3.266 -0.890 -0.613 1.00 0.00 C ATOM 1233 CE2 PHE A 99 -5.571 -1.380 -0.647 1.00 0.00 C ATOM 1234 CZ PHE A 99 -4.332 -1.500 -1.197 1.00 0.00 C ATOM 0 H PHE A 99 -4.519 2.023 4.427 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.288 -0.668 3.947 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.917 1.143 2.452 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.265 1.716 2.334 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.599 0.357 1.034 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -6.733 -0.522 0.973 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.283 -0.986 -1.049 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.417 -1.865 -1.110 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.195 -2.080 -2.098 1.00 0.00 H new ATOM 1244 N ILE A 100 -2.149 0.090 3.272 1.00 0.00 N ATOM 1245 CA ILE A 100 -0.831 -0.483 3.061 1.00 0.00 C ATOM 1246 C ILE A 100 -0.421 -1.278 4.303 1.00 0.00 C ATOM 1247 O ILE A 100 0.280 -2.284 4.198 1.00 0.00 O ATOM 1248 CB ILE A 100 0.171 0.605 2.670 1.00 0.00 C ATOM 1249 CG1 ILE A 100 -0.312 1.377 1.439 1.00 0.00 C ATOM 1250 CG2 ILE A 100 1.568 0.017 2.467 1.00 0.00 C ATOM 1251 CD1 ILE A 100 -0.304 0.486 0.196 1.00 0.00 C ATOM 0 H ILE A 100 -2.179 1.109 3.250 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.849 -1.182 2.225 1.00 0.00 H new ATOM 0 HB ILE A 100 0.240 1.318 3.491 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.320 1.754 1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.329 2.243 1.274 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.261 0.812 2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.904 -0.451 3.393 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.537 -0.730 1.674 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.651 1.058 -0.664 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.709 0.130 0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.964 -0.366 0.355 1.00 0.00 H new ATOM 1263 N GLU A 101 -0.876 -0.797 5.451 1.00 0.00 N ATOM 1264 CA GLU A 101 -0.564 -1.450 6.711 1.00 0.00 C ATOM 1265 C GLU A 101 -1.001 -2.915 6.671 1.00 0.00 C ATOM 1266 O GLU A 101 -0.247 -3.804 7.068 1.00 0.00 O ATOM 1267 CB GLU A 101 -1.215 -0.715 7.885 1.00 0.00 C ATOM 1268 CG GLU A 101 -0.280 -0.678 9.095 1.00 0.00 C ATOM 1269 CD GLU A 101 0.474 0.651 9.164 1.00 0.00 C ATOM 1270 OE1 GLU A 101 1.397 0.824 8.340 1.00 0.00 O ATOM 1271 OE2 GLU A 101 0.110 1.465 10.041 1.00 0.00 O ATOM 0 H GLU A 101 -1.458 0.037 5.535 1.00 0.00 H new ATOM 0 HA GLU A 101 0.516 -1.417 6.858 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.469 0.302 7.586 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.147 -1.210 8.156 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.856 -0.821 10.009 1.00 0.00 H new ATOM 0 HG3 GLU A 101 0.432 -1.501 9.035 1.00 0.00 H new ATOM 1278 N LYS A 102 -2.217 -3.124 6.188 1.00 0.00 N ATOM 1279 CA LYS A 102 -2.763 -4.468 6.091 1.00 0.00 C ATOM 1280 C LYS A 102 -2.272 -5.121 4.798 1.00 0.00 C ATOM 1281 O LYS A 102 -2.247 -6.347 4.688 1.00 0.00 O ATOM 1282 CB LYS A 102 -4.287 -4.437 6.223 1.00 0.00 C ATOM 1283 CG LYS A 102 -4.776 -5.525 7.183 1.00 0.00 C ATOM 1284 CD LYS A 102 -5.265 -4.917 8.498 1.00 0.00 C ATOM 1285 CE LYS A 102 -6.151 -5.903 9.262 1.00 0.00 C ATOM 1286 NZ LYS A 102 -6.432 -5.398 10.625 1.00 0.00 N ATOM 0 H LYS A 102 -2.840 -2.386 5.860 1.00 0.00 H new ATOM 0 HA LYS A 102 -2.406 -5.085 6.916 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.605 -3.459 6.584 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.744 -4.579 5.243 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -5.583 -6.090 6.717 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -3.968 -6.229 7.382 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -4.410 -4.638 9.114 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.823 -4.003 8.295 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.087 -6.053 8.723 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -5.658 -6.873 9.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.034 -6.079 11.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -5.538 -5.277 11.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.922 -4.483 10.562 1.00 0.00 H new ATOM 1300 N LEU A 103 -1.891 -4.275 3.852 1.00 0.00 N ATOM 1301 CA LEU A 103 -1.402 -4.755 2.571 1.00 0.00 C ATOM 1302 C LEU A 103 -0.008 -5.360 2.758 1.00 0.00 C ATOM 1303 O LEU A 103 0.283 -6.432 2.231 1.00 0.00 O ATOM 1304 CB LEU A 103 -1.453 -3.640 1.526 1.00 0.00 C ATOM 1305 CG LEU A 103 -2.215 -3.964 0.237 1.00 0.00 C ATOM 1306 CD1 LEU A 103 -1.555 -5.122 -0.513 1.00 0.00 C ATOM 1307 CD2 LEU A 103 -3.693 -4.235 0.528 1.00 0.00 C ATOM 0 H LEU A 103 -1.911 -3.260 3.947 1.00 0.00 H new ATOM 0 HA LEU A 103 -2.046 -5.547 2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.908 -2.761 1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.431 -3.369 1.262 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.171 -3.092 -0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.115 -5.332 -1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.531 -4.852 -0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.548 -6.009 0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.211 -4.462 -0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.781 -5.082 1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.141 -3.354 0.987 1.00 0.00 H new ATOM 1319 N THR A 104 0.818 -4.644 3.508 1.00 0.00 N ATOM 1320 CA THR A 104 2.172 -5.096 3.769 1.00 0.00 C ATOM 1321 C THR A 104 2.246 -5.810 5.120 1.00 0.00 C ATOM 1322 O THR A 104 2.930 -6.823 5.255 1.00 0.00 O ATOM 1323 CB THR A 104 3.101 -3.885 3.671 1.00 0.00 C ATOM 1324 OG1 THR A 104 2.549 -2.947 4.592 1.00 0.00 O ATOM 1325 CG2 THR A 104 3.005 -3.179 2.317 1.00 0.00 C ATOM 0 H THR A 104 0.574 -3.754 3.943 1.00 0.00 H new ATOM 0 HA THR A 104 2.492 -5.831 3.031 1.00 0.00 H new ATOM 0 HB THR A 104 4.129 -4.204 3.841 1.00 0.00 H new ATOM 0 HG1 THR A 104 1.834 -2.440 4.153 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.685 -2.327 2.302 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.278 -3.875 1.524 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.984 -2.831 2.160 1.00 0.00 H new ATOM 1333 N GLY A 105 1.529 -5.255 6.087 1.00 0.00 N ATOM 1334 CA GLY A 105 1.504 -5.827 7.421 1.00 0.00 C ATOM 1335 C GLY A 105 2.555 -5.171 8.318 1.00 0.00 C ATOM 1336 O GLY A 105 2.662 -5.500 9.499 1.00 0.00 O ATOM 0 H GLY A 105 0.961 -4.415 5.972 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.514 -5.696 7.858 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.688 -6.900 7.364 1.00 0.00 H new ATOM 1340 N TYR A 106 3.306 -4.257 7.724 1.00 0.00 N ATOM 1341 CA TYR A 106 4.346 -3.551 8.455 1.00 0.00 C ATOM 1342 C TYR A 106 3.832 -2.213 8.988 1.00 0.00 C ATOM 1343 O TYR A 106 3.255 -1.424 8.242 1.00 0.00 O ATOM 1344 CB TYR A 106 5.466 -3.289 7.446 1.00 0.00 C ATOM 1345 CG TYR A 106 6.596 -4.319 7.485 1.00 0.00 C ATOM 1346 CD1 TYR A 106 6.458 -5.521 6.819 1.00 0.00 C ATOM 1347 CD2 TYR A 106 7.752 -4.049 8.190 1.00 0.00 C ATOM 1348 CE1 TYR A 106 7.521 -6.490 6.857 1.00 0.00 C ATOM 1349 CE2 TYR A 106 8.815 -5.020 8.227 1.00 0.00 C ATOM 1350 CZ TYR A 106 8.647 -6.193 7.560 1.00 0.00 C ATOM 1351 OH TYR A 106 9.651 -7.110 7.596 1.00 0.00 O ATOM 0 H TYR A 106 3.216 -3.988 6.744 1.00 0.00 H new ATOM 0 HA TYR A 106 4.681 -4.140 9.309 1.00 0.00 H new ATOM 0 HB2 TYR A 106 5.040 -3.271 6.443 1.00 0.00 H new ATOM 0 HB3 TYR A 106 5.884 -2.300 7.632 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.553 -5.734 6.270 1.00 0.00 H new ATOM 0 HD2 TYR A 106 7.859 -3.110 8.713 1.00 0.00 H new ATOM 0 HE1 TYR A 106 7.427 -7.433 6.339 1.00 0.00 H new ATOM 0 HE2 TYR A 106 9.726 -4.821 8.773 1.00 0.00 H new ATOM 0 HH TYR A 106 10.393 -6.762 8.134 1.00 0.00 H new ATOM 1361 N SER A 107 4.059 -1.999 10.275 1.00 0.00 N ATOM 1362 CA SER A 107 3.625 -0.770 10.917 1.00 0.00 C ATOM 1363 C SER A 107 4.750 0.268 10.876 1.00 0.00 C ATOM 1364 O SER A 107 5.858 -0.031 10.436 1.00 0.00 O ATOM 1365 CB SER A 107 3.192 -1.025 12.362 1.00 0.00 C ATOM 1366 OG SER A 107 2.013 -0.302 12.703 1.00 0.00 O ATOM 0 H SER A 107 4.538 -2.656 10.891 1.00 0.00 H new ATOM 0 HA SER A 107 2.764 -0.386 10.371 1.00 0.00 H new ATOM 0 HB2 SER A 107 3.017 -2.091 12.505 1.00 0.00 H new ATOM 0 HB3 SER A 107 3.999 -0.741 13.037 1.00 0.00 H new ATOM 0 HG SER A 107 1.769 -0.494 13.633 1.00 0.00 H new ATOM 1372 N ALA A 108 4.425 1.465 11.339 1.00 0.00 N ATOM 1373 CA ALA A 108 5.393 2.547 11.361 1.00 0.00 C ATOM 1374 C ALA A 108 6.425 2.281 12.459 1.00 0.00 C ATOM 1375 O ALA A 108 7.545 2.786 12.398 1.00 0.00 O ATOM 1376 CB ALA A 108 4.666 3.880 11.556 1.00 0.00 C ATOM 0 H ALA A 108 3.504 1.710 11.702 1.00 0.00 H new ATOM 0 HA ALA A 108 5.927 2.602 10.412 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.393 4.692 11.572 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.966 4.036 10.735 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.120 3.862 12.499 1.00 0.00 H new ATOM 1382 N LYS A 109 6.012 1.488 13.434 1.00 0.00 N ATOM 1383 CA LYS A 109 6.886 1.147 14.544 1.00 0.00 C ATOM 1384 C LYS A 109 8.026 0.264 14.036 1.00 0.00 C ATOM 1385 O LYS A 109 9.194 0.525 14.322 1.00 0.00 O ATOM 1386 CB LYS A 109 6.085 0.521 15.687 1.00 0.00 C ATOM 1387 CG LYS A 109 6.926 0.429 16.961 1.00 0.00 C ATOM 1388 CD LYS A 109 6.189 -0.355 18.049 1.00 0.00 C ATOM 1389 CE LYS A 109 6.806 -1.743 18.237 1.00 0.00 C ATOM 1390 NZ LYS A 109 6.328 -2.355 19.496 1.00 0.00 N ATOM 0 H LYS A 109 5.082 1.070 13.480 1.00 0.00 H new ATOM 0 HA LYS A 109 7.339 2.046 14.961 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.192 1.116 15.879 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.748 -0.474 15.397 1.00 0.00 H new ATOM 0 HG2 LYS A 109 7.877 -0.056 16.739 1.00 0.00 H new ATOM 0 HG3 LYS A 109 7.156 1.431 17.322 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.229 0.195 18.989 1.00 0.00 H new ATOM 0 HD3 LYS A 109 5.137 -0.454 17.782 1.00 0.00 H new ATOM 0 HE2 LYS A 109 6.544 -2.381 17.393 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.893 -1.665 18.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.756 -3.296 19.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 6.599 -1.753 20.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 5.292 -2.447 19.466 1.00 0.00 H new ATOM 1404 N GLU A 110 7.649 -0.764 13.292 1.00 0.00 N ATOM 1405 CA GLU A 110 8.625 -1.688 12.741 1.00 0.00 C ATOM 1406 C GLU A 110 9.285 -1.087 11.498 1.00 0.00 C ATOM 1407 O GLU A 110 10.452 -1.355 11.220 1.00 0.00 O ATOM 1408 CB GLU A 110 7.983 -3.039 12.419 1.00 0.00 C ATOM 1409 CG GLU A 110 6.868 -2.884 11.382 1.00 0.00 C ATOM 1410 CD GLU A 110 6.232 -4.236 11.051 1.00 0.00 C ATOM 1411 OE1 GLU A 110 6.935 -5.052 10.417 1.00 0.00 O ATOM 1412 OE2 GLU A 110 5.060 -4.421 11.441 1.00 0.00 O ATOM 0 H GLU A 110 6.680 -0.978 13.057 1.00 0.00 H new ATOM 0 HA GLU A 110 9.396 -1.858 13.492 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.741 -3.725 12.043 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.578 -3.480 13.330 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.106 -2.203 11.762 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.271 -2.436 10.474 1.00 0.00 H new ATOM 1419 N ARG A 111 8.509 -0.283 10.785 1.00 0.00 N ATOM 1420 CA ARG A 111 9.003 0.360 9.581 1.00 0.00 C ATOM 1421 C ARG A 111 10.335 1.059 9.859 1.00 0.00 C ATOM 1422 O ARG A 111 11.187 1.153 8.978 1.00 0.00 O ATOM 1423 CB ARG A 111 7.997 1.384 9.051 1.00 0.00 C ATOM 1424 CG ARG A 111 8.555 2.118 7.830 1.00 0.00 C ATOM 1425 CD ARG A 111 7.469 2.953 7.148 1.00 0.00 C ATOM 1426 NE ARG A 111 7.306 4.244 7.855 1.00 0.00 N ATOM 1427 CZ ARG A 111 8.166 5.266 7.760 1.00 0.00 C ATOM 1428 NH1 ARG A 111 9.256 5.155 6.988 1.00 0.00 N ATOM 1429 NH2 ARG A 111 7.937 6.400 8.438 1.00 0.00 N ATOM 0 H ARG A 111 7.541 -0.063 11.019 1.00 0.00 H new ATOM 0 HA ARG A 111 9.147 -0.414 8.827 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.067 0.882 8.784 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.757 2.103 9.834 1.00 0.00 H new ATOM 0 HG2 ARG A 111 9.378 2.764 8.135 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.962 1.396 7.122 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.735 3.130 6.106 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.525 2.407 7.147 1.00 0.00 H new ATOM 0 HE ARG A 111 6.487 4.362 8.452 1.00 0.00 H new ATOM 0 HH11 ARG A 111 9.430 4.292 6.473 1.00 0.00 H new ATOM 0 HH12 ARG A 111 9.911 5.933 6.916 1.00 0.00 H new ATOM 0 HH21 ARG A 111 7.108 6.484 9.026 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.592 7.179 8.366 1.00 0.00 H new ATOM 1443 N LYS A 112 10.472 1.531 11.090 1.00 0.00 N ATOM 1444 CA LYS A 112 11.686 2.220 11.496 1.00 0.00 C ATOM 1445 C LYS A 112 12.847 1.224 11.522 1.00 0.00 C ATOM 1446 O LYS A 112 14.000 1.604 11.325 1.00 0.00 O ATOM 1447 CB LYS A 112 11.469 2.947 12.825 1.00 0.00 C ATOM 1448 CG LYS A 112 10.749 4.279 12.610 1.00 0.00 C ATOM 1449 CD LYS A 112 10.478 4.976 13.945 1.00 0.00 C ATOM 1450 CE LYS A 112 9.135 5.707 13.918 1.00 0.00 C ATOM 1451 NZ LYS A 112 9.289 7.055 13.326 1.00 0.00 N ATOM 0 H LYS A 112 9.763 1.450 11.819 1.00 0.00 H new ATOM 0 HA LYS A 112 11.946 2.994 10.774 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.885 2.318 13.497 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.430 3.123 13.309 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.354 4.925 11.974 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.808 4.108 12.087 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.480 4.241 14.750 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.278 5.685 14.158 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.412 5.130 13.341 1.00 0.00 H new ATOM 0 HE3 LYS A 112 8.740 5.791 14.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.367 7.537 13.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.963 7.608 13.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.645 6.968 12.353 1.00 0.00 H new ATOM 1465 N LYS A 113 12.503 -0.032 11.764 1.00 0.00 N ATOM 1466 CA LYS A 113 13.502 -1.086 11.818 1.00 0.00 C ATOM 1467 C LYS A 113 14.341 -1.054 10.538 1.00 0.00 C ATOM 1468 O LYS A 113 15.565 -1.165 10.590 1.00 0.00 O ATOM 1469 CB LYS A 113 12.841 -2.440 12.085 1.00 0.00 C ATOM 1470 CG LYS A 113 12.059 -2.418 13.399 1.00 0.00 C ATOM 1471 CD LYS A 113 12.790 -3.212 14.485 1.00 0.00 C ATOM 1472 CE LYS A 113 12.094 -4.550 14.747 1.00 0.00 C ATOM 1473 NZ LYS A 113 12.744 -5.631 13.971 1.00 0.00 N ATOM 0 H LYS A 113 11.545 -0.344 11.925 1.00 0.00 H new ATOM 0 HA LYS A 113 14.184 -0.921 12.652 1.00 0.00 H new ATOM 0 HB2 LYS A 113 12.171 -2.690 11.263 1.00 0.00 H new ATOM 0 HB3 LYS A 113 13.602 -3.219 12.124 1.00 0.00 H new ATOM 0 HG2 LYS A 113 11.921 -1.388 13.727 1.00 0.00 H new ATOM 0 HG3 LYS A 113 11.066 -2.838 13.242 1.00 0.00 H new ATOM 0 HD2 LYS A 113 13.822 -3.388 14.180 1.00 0.00 H new ATOM 0 HD3 LYS A 113 12.825 -2.629 15.406 1.00 0.00 H new ATOM 0 HE2 LYS A 113 12.131 -4.784 15.811 1.00 0.00 H new ATOM 0 HE3 LYS A 113 11.041 -4.479 14.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 12.261 -6.532 14.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 12.686 -5.413 12.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 13.742 -5.708 14.252 1.00 0.00 H new ATOM 1487 N MET A 114 13.650 -0.898 9.419 1.00 0.00 N ATOM 1488 CA MET A 114 14.314 -0.849 8.128 1.00 0.00 C ATOM 1489 C MET A 114 15.218 0.381 8.024 1.00 0.00 C ATOM 1490 O MET A 114 16.053 0.468 7.126 1.00 0.00 O ATOM 1491 CB MET A 114 13.266 -0.808 7.014 1.00 0.00 C ATOM 1492 CG MET A 114 12.671 0.594 6.874 1.00 0.00 C ATOM 1493 SD MET A 114 13.204 1.332 5.338 1.00 0.00 S ATOM 1494 CE MET A 114 13.146 3.059 5.786 1.00 0.00 C ATOM 0 H MET A 114 12.635 -0.804 9.380 1.00 0.00 H new ATOM 0 HA MET A 114 14.931 -1.741 8.024 1.00 0.00 H new ATOM 0 HB2 MET A 114 13.721 -1.110 6.071 1.00 0.00 H new ATOM 0 HB3 MET A 114 12.473 -1.524 7.229 1.00 0.00 H new ATOM 0 HG2 MET A 114 11.583 0.541 6.903 1.00 0.00 H new ATOM 0 HG3 MET A 114 12.982 1.216 7.713 1.00 0.00 H new ATOM 0 HE1 MET A 114 12.621 3.618 5.012 1.00 0.00 H new ATOM 0 HE2 MET A 114 12.621 3.171 6.734 1.00 0.00 H new ATOM 0 HE3 MET A 114 14.161 3.443 5.886 1.00 0.00 H new ATOM 1504 N MET A 115 15.021 1.302 8.957 1.00 0.00 N ATOM 1505 CA MET A 115 15.809 2.522 8.982 1.00 0.00 C ATOM 1506 C MET A 115 17.038 2.365 9.878 1.00 0.00 C ATOM 1507 O MET A 115 18.126 2.825 9.534 1.00 0.00 O ATOM 1508 CB MET A 115 14.946 3.676 9.496 1.00 0.00 C ATOM 1509 CG MET A 115 14.869 4.806 8.468 1.00 0.00 C ATOM 1510 SD MET A 115 15.624 6.284 9.127 1.00 0.00 S ATOM 1511 CE MET A 115 17.346 5.822 9.031 1.00 0.00 C ATOM 0 H MET A 115 14.327 1.227 9.701 1.00 0.00 H new ATOM 0 HA MET A 115 16.148 2.733 7.968 1.00 0.00 H new ATOM 0 HB2 MET A 115 13.942 3.313 9.718 1.00 0.00 H new ATOM 0 HB3 MET A 115 15.361 4.057 10.429 1.00 0.00 H new ATOM 0 HG2 MET A 115 15.375 4.508 7.549 1.00 0.00 H new ATOM 0 HG3 MET A 115 13.829 5.003 8.210 1.00 0.00 H new ATOM 0 HE1 MET A 115 17.953 6.712 8.862 1.00 0.00 H new ATOM 0 HE2 MET A 115 17.648 5.349 9.965 1.00 0.00 H new ATOM 0 HE3 MET A 115 17.490 5.123 8.207 1.00 0.00 H new ATOM 1521 N THR A 116 16.823 1.712 11.012 1.00 0.00 N ATOM 1522 CA THR A 116 17.900 1.488 11.961 1.00 0.00 C ATOM 1523 C THR A 116 18.507 0.099 11.761 1.00 0.00 C ATOM 1524 O THR A 116 17.831 -0.817 11.293 1.00 0.00 O ATOM 1525 CB THR A 116 17.344 1.711 13.369 1.00 0.00 C ATOM 1526 OG1 THR A 116 18.487 1.612 14.214 1.00 0.00 O ATOM 1527 CG2 THR A 116 16.440 0.566 13.829 1.00 0.00 C ATOM 0 H THR A 116 15.920 1.332 11.294 1.00 0.00 H new ATOM 0 HA THR A 116 18.718 2.191 11.804 1.00 0.00 H new ATOM 0 HB THR A 116 16.786 2.647 13.395 1.00 0.00 H new ATOM 0 HG1 THR A 116 18.217 1.746 15.147 1.00 0.00 H new ATOM 0 HG21 THR A 116 16.072 0.774 14.834 1.00 0.00 H new ATOM 0 HG22 THR A 116 15.596 0.472 13.146 1.00 0.00 H new ATOM 0 HG23 THR A 116 17.007 -0.365 13.836 1.00 0.00 H new ATOM 1535 N LYS A 117 19.777 -0.016 12.123 1.00 0.00 N ATOM 1536 CA LYS A 117 20.483 -1.278 11.989 1.00 0.00 C ATOM 1537 C LYS A 117 20.009 -2.241 13.079 1.00 0.00 C ATOM 1538 O LYS A 117 19.621 -1.813 14.164 1.00 0.00 O ATOM 1539 CB LYS A 117 21.995 -1.049 11.986 1.00 0.00 C ATOM 1540 CG LYS A 117 22.478 -0.591 10.609 1.00 0.00 C ATOM 1541 CD LYS A 117 23.824 0.132 10.711 1.00 0.00 C ATOM 1542 CE LYS A 117 24.047 1.048 9.508 1.00 0.00 C ATOM 1543 NZ LYS A 117 23.479 2.391 9.768 1.00 0.00 N ATOM 0 H LYS A 117 20.335 0.745 12.509 1.00 0.00 H new ATOM 0 HA LYS A 117 20.253 -1.743 11.030 1.00 0.00 H new ATOM 0 HB2 LYS A 117 22.254 -0.300 12.734 1.00 0.00 H new ATOM 0 HB3 LYS A 117 22.506 -1.970 12.267 1.00 0.00 H new ATOM 0 HG2 LYS A 117 22.573 -1.453 9.948 1.00 0.00 H new ATOM 0 HG3 LYS A 117 21.738 0.073 10.162 1.00 0.00 H new ATOM 0 HD2 LYS A 117 23.857 0.718 11.630 1.00 0.00 H new ATOM 0 HD3 LYS A 117 24.630 -0.599 10.770 1.00 0.00 H new ATOM 0 HE2 LYS A 117 25.114 1.132 9.300 1.00 0.00 H new ATOM 0 HE3 LYS A 117 23.582 0.615 8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 23.639 3.001 8.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 22.458 2.308 9.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 23.941 2.808 10.601 1.00 0.00 H new ATOM 1557 N ASP A 118 20.054 -3.524 12.751 1.00 0.00 N ATOM 1558 CA ASP A 118 19.633 -4.551 13.689 1.00 0.00 C ATOM 1559 C ASP A 118 20.697 -4.710 14.775 1.00 0.00 C ATOM 1560 O ASP A 118 20.548 -5.530 15.681 1.00 0.00 O ATOM 1561 CB ASP A 118 19.469 -5.902 12.988 1.00 0.00 C ATOM 1562 CG ASP A 118 20.711 -6.401 12.247 1.00 0.00 C ATOM 1563 OD1 ASP A 118 21.678 -6.772 12.945 1.00 0.00 O ATOM 1564 OD2 ASP A 118 20.664 -6.401 10.997 1.00 0.00 O ATOM 1565 OXT ASP A 118 21.848 -3.912 14.735 1.00 0.00 O ATOM 0 H ASP A 118 20.375 -3.876 11.849 1.00 0.00 H new ATOM 0 HA ASP A 118 18.678 -4.247 14.116 1.00 0.00 H new ATOM 0 HB2 ASP A 118 19.183 -6.647 13.730 1.00 0.00 H new ATOM 0 HB3 ASP A 118 18.646 -5.828 12.278 1.00 0.00 H new TER 1570 ASP A 118