USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 669 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 70 LYS NZ :NH3+ -123:sc= -0.129 (180deg=-1.55!) USER MOD Set 1.2: A 79 ASN : amide:sc= -4.65! C(o=-4.8!,f=-15!) USER MOD Single : A 23 MET CE :methyl 163:sc= -4.89! (180deg=-5.07!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD Single : A 38 SER OG : rot -33:sc= -0.584 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -156:sc= 0.296 (180deg=0.0971) 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 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 172:sc=-0.00447 (180deg=-0.0951) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -64:sc= 0.819 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 165:sc= -0.408 USER MOD Single : A 97 ASN : amide:sc= -6.29! C(o=-6.3!,f=-8.5!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -81:sc= 0.893 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 5.274 9.533 -4.107 1.00 0.00 N ATOM 2 CA MET A 23 5.425 8.089 -4.152 1.00 0.00 C ATOM 3 C MET A 23 6.172 7.579 -2.917 1.00 0.00 C ATOM 4 O MET A 23 7.210 8.124 -2.546 1.00 0.00 O ATOM 5 CB MET A 23 6.195 7.694 -5.413 1.00 0.00 C ATOM 6 CG MET A 23 6.255 6.173 -5.567 1.00 0.00 C ATOM 7 SD MET A 23 7.733 5.706 -6.452 1.00 0.00 S ATOM 8 CE MET A 23 8.496 4.642 -5.238 1.00 0.00 C ATOM 0 HA MET A 23 4.432 7.639 -4.167 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.716 8.133 -6.288 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.206 8.098 -5.367 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.244 5.699 -4.585 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.374 5.818 -6.102 1.00 0.00 H new ATOM 0 HE1 MET A 23 9.260 4.030 -5.719 1.00 0.00 H new ATOM 0 HE2 MET A 23 8.956 5.250 -4.459 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.739 3.995 -4.794 1.00 0.00 H new ATOM 18 N ARG A 24 5.615 6.536 -2.316 1.00 0.00 N ATOM 19 CA ARG A 24 6.216 5.946 -1.132 1.00 0.00 C ATOM 20 C ARG A 24 6.535 4.471 -1.378 1.00 0.00 C ATOM 21 O ARG A 24 5.780 3.774 -2.055 1.00 0.00 O ATOM 22 CB ARG A 24 5.286 6.065 0.075 1.00 0.00 C ATOM 23 CG ARG A 24 5.061 7.531 0.453 1.00 0.00 C ATOM 24 CD ARG A 24 5.923 7.925 1.654 1.00 0.00 C ATOM 25 NE ARG A 24 6.817 9.048 1.291 1.00 0.00 N ATOM 26 CZ ARG A 24 7.805 9.504 2.071 1.00 0.00 C ATOM 27 NH1 ARG A 24 8.034 8.937 3.262 1.00 0.00 N ATOM 28 NH2 ARG A 24 8.566 10.526 1.658 1.00 0.00 N ATOM 0 H ARG A 24 4.755 6.085 -2.627 1.00 0.00 H new ATOM 0 HA ARG A 24 7.137 6.490 -0.921 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.330 5.593 -0.151 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.714 5.529 0.922 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.300 8.170 -0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.009 7.693 0.687 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.286 8.213 2.490 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.514 7.071 1.983 1.00 0.00 H new ATOM 0 HE ARG A 24 6.671 9.503 0.390 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.456 8.157 3.575 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.787 9.285 3.856 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.393 10.956 0.750 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.319 10.874 2.252 1.00 0.00 H new ATOM 42 N GLU A 25 7.654 4.038 -0.817 1.00 0.00 N ATOM 43 CA GLU A 25 8.082 2.658 -0.967 1.00 0.00 C ATOM 44 C GLU A 25 7.863 1.888 0.337 1.00 0.00 C ATOM 45 O GLU A 25 8.318 2.313 1.397 1.00 0.00 O ATOM 46 CB GLU A 25 9.545 2.581 -1.408 1.00 0.00 C ATOM 47 CG GLU A 25 9.690 2.925 -2.892 1.00 0.00 C ATOM 48 CD GLU A 25 10.662 4.089 -3.094 1.00 0.00 C ATOM 49 OE1 GLU A 25 10.617 5.017 -2.257 1.00 0.00 O ATOM 50 OE2 GLU A 25 11.427 4.024 -4.080 1.00 0.00 O ATOM 0 H GLU A 25 8.278 4.619 -0.257 1.00 0.00 H new ATOM 0 HA GLU A 25 7.477 2.195 -1.746 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.145 3.268 -0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.932 1.579 -1.224 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.045 2.051 -3.438 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.715 3.185 -3.305 1.00 0.00 H new ATOM 57 N TYR A 26 7.163 0.770 0.217 1.00 0.00 N ATOM 58 CA TYR A 26 6.877 -0.062 1.373 1.00 0.00 C ATOM 59 C TYR A 26 7.559 -1.427 1.249 1.00 0.00 C ATOM 60 O TYR A 26 7.657 -1.978 0.154 1.00 0.00 O ATOM 61 CB TYR A 26 5.360 -0.263 1.383 1.00 0.00 C ATOM 62 CG TYR A 26 4.568 0.995 1.746 1.00 0.00 C ATOM 63 CD1 TYR A 26 4.476 1.396 3.062 1.00 0.00 C ATOM 64 CD2 TYR A 26 3.945 1.728 0.755 1.00 0.00 C ATOM 65 CE1 TYR A 26 3.730 2.581 3.403 1.00 0.00 C ATOM 66 CE2 TYR A 26 3.200 2.911 1.095 1.00 0.00 C ATOM 67 CZ TYR A 26 3.129 3.279 2.403 1.00 0.00 C ATOM 68 OH TYR A 26 2.425 4.399 2.725 1.00 0.00 O ATOM 0 H TYR A 26 6.785 0.421 -0.664 1.00 0.00 H new ATOM 0 HA TYR A 26 7.243 0.410 2.285 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.043 -0.608 0.399 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.113 -1.053 2.093 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.963 0.822 3.837 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.017 1.413 -0.276 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.650 2.907 4.429 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.709 3.493 0.330 1.00 0.00 H new ATOM 0 HH TYR A 26 2.051 4.796 1.911 1.00 0.00 H new ATOM 78 N PRO A 27 8.025 -1.943 2.418 1.00 0.00 N ATOM 79 CA PRO A 27 8.694 -3.232 2.451 1.00 0.00 C ATOM 80 C PRO A 27 7.689 -4.377 2.304 1.00 0.00 C ATOM 81 O PRO A 27 6.503 -4.140 2.077 1.00 0.00 O ATOM 82 CB PRO A 27 9.433 -3.257 3.779 1.00 0.00 C ATOM 83 CG PRO A 27 8.780 -2.189 4.639 1.00 0.00 C ATOM 84 CD PRO A 27 7.925 -1.319 3.732 1.00 0.00 C ATOM 0 HA PRO A 27 9.388 -3.367 1.621 1.00 0.00 H new ATOM 0 HB2 PRO A 27 9.358 -4.237 4.249 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.494 -3.051 3.639 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.168 -2.646 5.417 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.538 -1.588 5.142 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.891 -1.284 4.076 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.289 -0.292 3.711 1.00 0.00 H new ATOM 92 N VAL A 28 8.201 -5.592 2.438 1.00 0.00 N ATOM 93 CA VAL A 28 7.364 -6.773 2.324 1.00 0.00 C ATOM 94 C VAL A 28 7.639 -7.706 3.504 1.00 0.00 C ATOM 95 O VAL A 28 8.780 -7.834 3.945 1.00 0.00 O ATOM 96 CB VAL A 28 7.587 -7.443 0.967 1.00 0.00 C ATOM 97 CG1 VAL A 28 7.461 -8.965 1.078 1.00 0.00 C ATOM 98 CG2 VAL A 28 6.625 -6.890 -0.085 1.00 0.00 C ATOM 0 H VAL A 28 9.185 -5.783 2.624 1.00 0.00 H new ATOM 0 HA VAL A 28 6.310 -6.499 2.367 1.00 0.00 H new ATOM 0 HB VAL A 28 8.603 -7.213 0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.624 -9.416 0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.205 -9.342 1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.464 -9.222 1.434 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.806 -7.384 -1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.598 -7.073 0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.784 -5.817 -0.196 1.00 0.00 H new ATOM 108 N LYS A 29 6.576 -8.335 3.983 1.00 0.00 N ATOM 109 CA LYS A 29 6.690 -9.252 5.104 1.00 0.00 C ATOM 110 C LYS A 29 6.851 -10.679 4.575 1.00 0.00 C ATOM 111 O LYS A 29 6.252 -11.041 3.563 1.00 0.00 O ATOM 112 CB LYS A 29 5.506 -9.080 6.059 1.00 0.00 C ATOM 113 CG LYS A 29 5.622 -10.032 7.251 1.00 0.00 C ATOM 114 CD LYS A 29 5.993 -9.272 8.525 1.00 0.00 C ATOM 115 CE LYS A 29 7.507 -9.069 8.622 1.00 0.00 C ATOM 116 NZ LYS A 29 7.835 -8.122 9.710 1.00 0.00 N ATOM 0 H LYS A 29 5.631 -8.227 3.615 1.00 0.00 H new ATOM 0 HA LYS A 29 7.580 -9.027 5.692 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.467 -8.050 6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.574 -9.270 5.527 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.677 -10.554 7.397 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.377 -10.791 7.043 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.492 -8.304 8.534 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.640 -9.823 9.397 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.997 -10.025 8.805 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.890 -8.690 7.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.866 -7.996 9.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.383 -7.205 9.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.487 -8.498 10.615 1.00 0.00 H new ATOM 130 N LYS A 30 7.662 -11.450 5.283 1.00 0.00 N ATOM 131 CA LYS A 30 7.910 -12.829 4.899 1.00 0.00 C ATOM 132 C LYS A 30 6.627 -13.643 5.081 1.00 0.00 C ATOM 133 O LYS A 30 6.303 -14.060 6.192 1.00 0.00 O ATOM 134 CB LYS A 30 9.108 -13.392 5.665 1.00 0.00 C ATOM 135 CG LYS A 30 8.854 -13.371 7.174 1.00 0.00 C ATOM 136 CD LYS A 30 8.849 -14.789 7.749 1.00 0.00 C ATOM 137 CE LYS A 30 8.199 -14.818 9.132 1.00 0.00 C ATOM 138 NZ LYS A 30 8.193 -16.195 9.676 1.00 0.00 N ATOM 0 H LYS A 30 8.157 -11.146 6.122 1.00 0.00 H new ATOM 0 HA LYS A 30 8.179 -12.888 3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.304 -14.414 5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.999 -12.808 5.434 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.623 -12.777 7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.898 -12.888 7.379 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.310 -15.456 7.076 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.871 -15.162 7.816 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.740 -14.156 9.808 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.178 -14.442 9.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.748 -16.195 10.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.657 -16.818 9.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.171 -16.541 9.756 1.00 0.00 H new ATOM 152 N GLY A 31 5.930 -13.844 3.971 1.00 0.00 N ATOM 153 CA GLY A 31 4.689 -14.601 3.994 1.00 0.00 C ATOM 154 C GLY A 31 3.561 -13.826 3.310 1.00 0.00 C ATOM 155 O GLY A 31 2.787 -14.396 2.543 1.00 0.00 O ATOM 0 H GLY A 31 6.201 -13.496 3.051 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.833 -15.558 3.493 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.411 -14.820 5.025 1.00 0.00 H new ATOM 159 N PHE A 32 3.505 -12.536 3.610 1.00 0.00 N ATOM 160 CA PHE A 32 2.486 -11.676 3.034 1.00 0.00 C ATOM 161 C PHE A 32 2.396 -11.873 1.519 1.00 0.00 C ATOM 162 O PHE A 32 3.348 -12.334 0.892 1.00 0.00 O ATOM 163 CB PHE A 32 2.901 -10.233 3.325 1.00 0.00 C ATOM 164 CG PHE A 32 2.239 -9.635 4.569 1.00 0.00 C ATOM 165 CD1 PHE A 32 2.404 -10.230 5.780 1.00 0.00 C ATOM 166 CD2 PHE A 32 1.488 -8.506 4.463 1.00 0.00 C ATOM 167 CE1 PHE A 32 1.790 -9.675 6.934 1.00 0.00 C ATOM 168 CE2 PHE A 32 0.875 -7.951 5.617 1.00 0.00 C ATOM 169 CZ PHE A 32 1.038 -8.547 6.827 1.00 0.00 C ATOM 0 H PHE A 32 4.150 -12.066 4.245 1.00 0.00 H new ATOM 0 HA PHE A 32 1.513 -11.913 3.463 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.983 -10.195 3.448 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.656 -9.614 2.462 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.002 -11.125 5.865 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.358 -8.032 3.501 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.920 -10.148 7.896 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.279 -7.054 5.533 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.570 -8.125 7.704 1.00 0.00 H new ATOM 179 N PRO A 33 1.212 -11.504 0.961 1.00 0.00 N ATOM 180 CA PRO A 33 0.985 -11.635 -0.469 1.00 0.00 C ATOM 181 C PRO A 33 1.730 -10.545 -1.243 1.00 0.00 C ATOM 182 O PRO A 33 1.730 -9.383 -0.841 1.00 0.00 O ATOM 183 CB PRO A 33 -0.524 -11.557 -0.636 1.00 0.00 C ATOM 184 CG PRO A 33 -1.052 -10.922 0.641 1.00 0.00 C ATOM 185 CD PRO A 33 0.062 -10.953 1.674 1.00 0.00 C ATOM 0 HA PRO A 33 1.369 -12.572 -0.873 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.790 -10.960 -1.508 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.952 -12.548 -0.785 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.370 -9.896 0.454 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.924 -11.465 1.004 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.275 -9.955 2.058 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.208 -11.572 2.529 1.00 0.00 H new ATOM 193 N THR A 34 2.347 -10.960 -2.340 1.00 0.00 N ATOM 194 CA THR A 34 3.093 -10.034 -3.176 1.00 0.00 C ATOM 195 C THR A 34 2.655 -10.162 -4.635 1.00 0.00 C ATOM 196 O THR A 34 3.463 -9.990 -5.548 1.00 0.00 O ATOM 197 CB THR A 34 4.584 -10.303 -2.963 1.00 0.00 C ATOM 198 OG1 THR A 34 4.684 -11.725 -2.970 1.00 0.00 O ATOM 199 CG2 THR A 34 5.056 -9.904 -1.564 1.00 0.00 C ATOM 0 H THR A 34 2.346 -11.925 -2.669 1.00 0.00 H new ATOM 0 HA THR A 34 2.891 -8.999 -2.899 1.00 0.00 H new ATOM 0 HB THR A 34 5.162 -9.759 -3.710 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.619 -11.988 -2.840 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.121 -10.115 -1.465 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.882 -8.839 -1.411 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.502 -10.473 -0.817 1.00 0.00 H new ATOM 207 N ASP A 35 1.377 -10.465 -4.812 1.00 0.00 N ATOM 208 CA ASP A 35 0.822 -10.616 -6.148 1.00 0.00 C ATOM 209 C ASP A 35 -0.374 -9.676 -6.307 1.00 0.00 C ATOM 210 O ASP A 35 -0.929 -9.196 -5.320 1.00 0.00 O ATOM 211 CB ASP A 35 0.333 -12.048 -6.381 1.00 0.00 C ATOM 212 CG ASP A 35 1.115 -12.835 -7.431 1.00 0.00 C ATOM 213 OD1 ASP A 35 2.115 -13.472 -7.036 1.00 0.00 O ATOM 214 OD2 ASP A 35 0.697 -12.782 -8.609 1.00 0.00 O ATOM 0 H ASP A 35 0.710 -10.610 -4.054 1.00 0.00 H new ATOM 0 HA ASP A 35 1.605 -10.380 -6.869 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.377 -12.589 -5.436 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.715 -12.014 -6.680 1.00 0.00 H new ATOM 219 N TYR A 36 -0.736 -9.441 -7.560 1.00 0.00 N ATOM 220 CA TYR A 36 -1.857 -8.566 -7.863 1.00 0.00 C ATOM 221 C TYR A 36 -3.179 -9.193 -7.417 1.00 0.00 C ATOM 222 O TYR A 36 -3.987 -8.542 -6.757 1.00 0.00 O ATOM 223 CB TYR A 36 -1.870 -8.409 -9.385 1.00 0.00 C ATOM 224 CG TYR A 36 -0.843 -7.407 -9.915 1.00 0.00 C ATOM 225 CD1 TYR A 36 0.494 -7.563 -9.613 1.00 0.00 C ATOM 226 CD2 TYR A 36 -1.252 -6.347 -10.699 1.00 0.00 C ATOM 227 CE1 TYR A 36 1.462 -6.620 -10.112 1.00 0.00 C ATOM 228 CE2 TYR A 36 -0.286 -5.403 -11.198 1.00 0.00 C ATOM 229 CZ TYR A 36 1.023 -5.587 -10.879 1.00 0.00 C ATOM 230 OH TYR A 36 1.937 -4.697 -11.352 1.00 0.00 O ATOM 0 H TYR A 36 -0.274 -9.841 -8.377 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.750 -7.613 -7.344 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.684 -9.381 -9.842 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.865 -8.094 -9.699 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.815 -8.393 -9.002 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.298 -6.226 -10.938 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.511 -6.731 -9.882 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.594 -4.569 -11.811 1.00 0.00 H new ATOM 0 HH TYR A 36 1.482 -4.013 -11.885 1.00 0.00 H new ATOM 240 N ASP A 37 -3.358 -10.450 -7.794 1.00 0.00 N ATOM 241 CA ASP A 37 -4.568 -11.172 -7.441 1.00 0.00 C ATOM 242 C ASP A 37 -4.714 -11.200 -5.917 1.00 0.00 C ATOM 243 O ASP A 37 -5.759 -10.831 -5.384 1.00 0.00 O ATOM 244 CB ASP A 37 -4.511 -12.619 -7.936 1.00 0.00 C ATOM 245 CG ASP A 37 -5.755 -13.094 -8.689 1.00 0.00 C ATOM 246 OD1 ASP A 37 -6.031 -12.506 -9.756 1.00 0.00 O ATOM 247 OD2 ASP A 37 -6.402 -14.036 -8.180 1.00 0.00 O ATOM 0 H ASP A 37 -2.685 -10.987 -8.341 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.412 -10.664 -7.908 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.645 -12.730 -8.589 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.351 -13.274 -7.080 1.00 0.00 H new ATOM 252 N SER A 38 -3.651 -11.642 -5.262 1.00 0.00 N ATOM 253 CA SER A 38 -3.648 -11.722 -3.810 1.00 0.00 C ATOM 254 C SER A 38 -4.119 -10.395 -3.211 1.00 0.00 C ATOM 255 O SER A 38 -5.037 -10.370 -2.393 1.00 0.00 O ATOM 256 CB SER A 38 -2.257 -12.077 -3.281 1.00 0.00 C ATOM 257 OG SER A 38 -1.281 -11.105 -3.648 1.00 0.00 O ATOM 0 H SER A 38 -2.787 -11.948 -5.708 1.00 0.00 H new ATOM 0 HA SER A 38 -4.335 -12.513 -3.510 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.293 -12.162 -2.195 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.960 -13.052 -3.667 1.00 0.00 H new ATOM 0 HG SER A 38 -1.507 -10.729 -4.525 1.00 0.00 H new ATOM 263 N ILE A 39 -3.469 -9.323 -3.643 1.00 0.00 N ATOM 264 CA ILE A 39 -3.812 -7.997 -3.160 1.00 0.00 C ATOM 265 C ILE A 39 -5.226 -7.638 -3.621 1.00 0.00 C ATOM 266 O ILE A 39 -6.001 -7.058 -2.863 1.00 0.00 O ATOM 267 CB ILE A 39 -2.750 -6.980 -3.587 1.00 0.00 C ATOM 268 CG1 ILE A 39 -1.379 -7.345 -3.011 1.00 0.00 C ATOM 269 CG2 ILE A 39 -3.169 -5.558 -3.211 1.00 0.00 C ATOM 270 CD1 ILE A 39 -0.283 -6.455 -3.600 1.00 0.00 C ATOM 0 H ILE A 39 -2.708 -9.347 -4.321 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.819 -7.980 -2.070 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.663 -7.013 -4.673 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.396 -7.238 -1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.157 -8.391 -3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.397 -4.856 -3.526 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.107 -5.312 -3.708 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.302 -5.491 -2.131 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.681 -6.735 -3.174 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.253 -6.583 -4.682 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.495 -5.412 -3.364 1.00 0.00 H new ATOM 282 N LYS A 40 -5.517 -7.998 -4.863 1.00 0.00 N ATOM 283 CA LYS A 40 -6.824 -7.723 -5.435 1.00 0.00 C ATOM 284 C LYS A 40 -7.908 -8.272 -4.506 1.00 0.00 C ATOM 285 O LYS A 40 -8.898 -7.596 -4.231 1.00 0.00 O ATOM 286 CB LYS A 40 -6.907 -8.262 -6.865 1.00 0.00 C ATOM 287 CG LYS A 40 -6.378 -7.236 -7.868 1.00 0.00 C ATOM 288 CD LYS A 40 -6.111 -7.886 -9.227 1.00 0.00 C ATOM 289 CE LYS A 40 -7.102 -7.382 -10.279 1.00 0.00 C ATOM 290 NZ LYS A 40 -8.367 -8.147 -10.208 1.00 0.00 N ATOM 0 H LYS A 40 -4.870 -8.478 -5.489 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.987 -6.648 -5.515 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.331 -9.184 -6.944 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.941 -8.511 -7.104 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.101 -6.428 -7.983 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.459 -6.790 -7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.092 -7.665 -9.546 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.189 -8.970 -9.138 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.302 -6.322 -10.121 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.667 -7.479 -11.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.028 -7.792 -10.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.174 -9.154 -10.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.789 -8.033 -9.264 1.00 0.00 H new ATOM 304 N ARG A 41 -7.686 -9.497 -4.048 1.00 0.00 N ATOM 305 CA ARG A 41 -8.631 -10.145 -3.156 1.00 0.00 C ATOM 306 C ARG A 41 -8.639 -9.450 -1.792 1.00 0.00 C ATOM 307 O ARG A 41 -9.682 -9.348 -1.149 1.00 0.00 O ATOM 308 CB ARG A 41 -8.285 -11.623 -2.965 1.00 0.00 C ATOM 309 CG ARG A 41 -8.914 -12.481 -4.065 1.00 0.00 C ATOM 310 CD ARG A 41 -8.171 -12.305 -5.391 1.00 0.00 C ATOM 311 NE ARG A 41 -8.771 -13.174 -6.426 1.00 0.00 N ATOM 312 CZ ARG A 41 -8.603 -14.503 -6.483 1.00 0.00 C ATOM 313 NH1 ARG A 41 -7.852 -15.122 -5.563 1.00 0.00 N ATOM 314 NH2 ARG A 41 -9.186 -15.210 -7.461 1.00 0.00 N ATOM 0 H ARG A 41 -6.865 -10.057 -4.279 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.619 -10.070 -3.611 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -7.203 -11.751 -2.974 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.638 -11.960 -1.990 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.894 -13.530 -3.769 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.961 -12.206 -4.192 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.217 -11.263 -5.708 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.117 -12.553 -5.263 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.349 -12.735 -7.142 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.408 -14.582 -4.820 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.724 -16.133 -5.606 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.757 -14.737 -8.161 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.059 -16.221 -7.505 1.00 0.00 H new ATOM 328 N LYS A 42 -7.462 -8.989 -1.393 1.00 0.00 N ATOM 329 CA LYS A 42 -7.320 -8.306 -0.119 1.00 0.00 C ATOM 330 C LYS A 42 -8.121 -7.004 -0.151 1.00 0.00 C ATOM 331 O LYS A 42 -8.751 -6.635 0.840 1.00 0.00 O ATOM 332 CB LYS A 42 -5.841 -8.112 0.222 1.00 0.00 C ATOM 333 CG LYS A 42 -5.429 -8.994 1.403 1.00 0.00 C ATOM 334 CD LYS A 42 -4.009 -8.662 1.866 1.00 0.00 C ATOM 335 CE LYS A 42 -3.825 -8.993 3.349 1.00 0.00 C ATOM 336 NZ LYS A 42 -2.391 -8.966 3.710 1.00 0.00 N ATOM 0 H LYS A 42 -6.599 -9.075 -1.930 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.732 -8.913 0.687 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.229 -8.353 -0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.654 -7.065 0.463 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.127 -8.852 2.228 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.485 -10.044 1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.288 -9.224 1.272 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.806 -7.604 1.698 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.374 -8.275 3.959 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.242 -9.977 3.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.233 -9.560 4.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.826 -9.331 2.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.104 -7.988 3.919 1.00 0.00 H new ATOM 350 N ILE A 43 -8.071 -6.344 -1.297 1.00 0.00 N ATOM 351 CA ILE A 43 -8.785 -5.090 -1.471 1.00 0.00 C ATOM 352 C ILE A 43 -10.290 -5.347 -1.375 1.00 0.00 C ATOM 353 O ILE A 43 -10.994 -4.665 -0.632 1.00 0.00 O ATOM 354 CB ILE A 43 -8.360 -4.407 -2.773 1.00 0.00 C ATOM 355 CG1 ILE A 43 -6.869 -4.061 -2.748 1.00 0.00 C ATOM 356 CG2 ILE A 43 -9.228 -3.180 -3.058 1.00 0.00 C ATOM 357 CD1 ILE A 43 -6.303 -3.975 -4.166 1.00 0.00 C ATOM 0 H ILE A 43 -7.547 -6.653 -2.116 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.529 -4.393 -0.674 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.515 -5.108 -3.593 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.721 -3.111 -2.235 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.326 -4.817 -2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.905 -2.714 -3.989 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.271 -3.485 -3.148 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.128 -2.466 -2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.242 -3.728 -4.120 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.431 -4.934 -4.668 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.832 -3.201 -4.723 1.00 0.00 H new ATOM 369 N SER A 44 -10.740 -6.333 -2.138 1.00 0.00 N ATOM 370 CA SER A 44 -12.148 -6.689 -2.148 1.00 0.00 C ATOM 371 C SER A 44 -12.527 -7.366 -0.830 1.00 0.00 C ATOM 372 O SER A 44 -13.686 -7.335 -0.423 1.00 0.00 O ATOM 373 CB SER A 44 -12.476 -7.603 -3.329 1.00 0.00 C ATOM 374 OG SER A 44 -13.881 -7.704 -3.553 1.00 0.00 O ATOM 0 H SER A 44 -10.153 -6.896 -2.754 1.00 0.00 H new ATOM 0 HA SER A 44 -12.731 -5.775 -2.259 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.992 -7.221 -4.228 1.00 0.00 H new ATOM 0 HB3 SER A 44 -12.066 -8.596 -3.144 1.00 0.00 H new ATOM 0 HG SER A 44 -14.049 -8.295 -4.316 1.00 0.00 H new ATOM 380 N GLU A 45 -11.525 -7.962 -0.199 1.00 0.00 N ATOM 381 CA GLU A 45 -11.738 -8.646 1.065 1.00 0.00 C ATOM 382 C GLU A 45 -11.833 -7.633 2.207 1.00 0.00 C ATOM 383 O GLU A 45 -12.377 -7.938 3.267 1.00 0.00 O ATOM 384 CB GLU A 45 -10.631 -9.670 1.328 1.00 0.00 C ATOM 385 CG GLU A 45 -10.887 -10.966 0.558 1.00 0.00 C ATOM 386 CD GLU A 45 -11.201 -12.119 1.515 1.00 0.00 C ATOM 387 OE1 GLU A 45 -12.394 -12.261 1.861 1.00 0.00 O ATOM 388 OE2 GLU A 45 -10.241 -12.832 1.879 1.00 0.00 O ATOM 0 H GLU A 45 -10.564 -7.985 -0.540 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.682 -9.188 1.008 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.668 -9.253 1.034 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.574 -9.883 2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.719 -10.825 -0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.012 -11.215 -0.043 1.00 0.00 H new ATOM 395 N LEU A 46 -11.294 -6.451 1.953 1.00 0.00 N ATOM 396 CA LEU A 46 -11.311 -5.391 2.946 1.00 0.00 C ATOM 397 C LEU A 46 -12.552 -4.522 2.739 1.00 0.00 C ATOM 398 O LEU A 46 -12.973 -3.806 3.646 1.00 0.00 O ATOM 399 CB LEU A 46 -9.997 -4.606 2.915 1.00 0.00 C ATOM 400 CG LEU A 46 -10.018 -3.296 2.125 1.00 0.00 C ATOM 401 CD1 LEU A 46 -10.309 -2.106 3.042 1.00 0.00 C ATOM 402 CD2 LEU A 46 -8.719 -3.109 1.337 1.00 0.00 C ATOM 0 H LEU A 46 -10.842 -6.203 1.073 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.381 -5.811 3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.705 -4.384 3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.223 -5.248 2.495 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.830 -3.349 1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.318 -1.188 2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.280 -2.242 3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.536 -2.039 3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.760 -2.170 0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.875 -3.087 2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.595 -3.936 0.638 1.00 0.00 H new ATOM 414 N GLY A 47 -13.105 -4.613 1.538 1.00 0.00 N ATOM 415 CA GLY A 47 -14.290 -3.842 1.199 1.00 0.00 C ATOM 416 C GLY A 47 -13.959 -2.743 0.188 1.00 0.00 C ATOM 417 O GLY A 47 -14.693 -1.763 0.069 1.00 0.00 O ATOM 0 H GLY A 47 -12.755 -5.209 0.788 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -15.052 -4.503 0.786 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.709 -3.397 2.101 1.00 0.00 H new ATOM 421 N PHE A 48 -12.852 -2.941 -0.514 1.00 0.00 N ATOM 422 CA PHE A 48 -12.415 -1.979 -1.510 1.00 0.00 C ATOM 423 C PHE A 48 -12.525 -2.562 -2.922 1.00 0.00 C ATOM 424 O PHE A 48 -12.905 -3.719 -3.091 1.00 0.00 O ATOM 425 CB PHE A 48 -10.948 -1.663 -1.214 1.00 0.00 C ATOM 426 CG PHE A 48 -10.739 -0.763 0.006 1.00 0.00 C ATOM 427 CD1 PHE A 48 -11.808 -0.358 0.742 1.00 0.00 C ATOM 428 CD2 PHE A 48 -9.484 -0.369 0.353 1.00 0.00 C ATOM 429 CE1 PHE A 48 -11.614 0.477 1.875 1.00 0.00 C ATOM 430 CE2 PHE A 48 -9.290 0.467 1.484 1.00 0.00 C ATOM 431 CZ PHE A 48 -10.360 0.872 2.222 1.00 0.00 C ATOM 0 H PHE A 48 -12.245 -3.754 -0.412 1.00 0.00 H new ATOM 0 HA PHE A 48 -13.040 -1.087 -1.465 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.410 -2.598 -1.059 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.507 -1.182 -2.087 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.804 -0.671 0.466 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.635 -0.692 -0.232 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.463 0.798 2.461 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.294 0.782 1.759 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.213 1.507 3.083 1.00 0.00 H new ATOM 441 N ASP A 49 -12.184 -1.734 -3.897 1.00 0.00 N ATOM 442 CA ASP A 49 -12.238 -2.152 -5.288 1.00 0.00 C ATOM 443 C ASP A 49 -10.844 -2.037 -5.906 1.00 0.00 C ATOM 444 O ASP A 49 -9.985 -1.331 -5.380 1.00 0.00 O ATOM 445 CB ASP A 49 -13.189 -1.263 -6.093 1.00 0.00 C ATOM 446 CG ASP A 49 -14.460 -1.956 -6.586 1.00 0.00 C ATOM 447 OD1 ASP A 49 -15.338 -2.207 -5.732 1.00 0.00 O ATOM 448 OD2 ASP A 49 -14.527 -2.220 -7.805 1.00 0.00 O ATOM 0 H ASP A 49 -11.869 -0.775 -3.752 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.595 -3.181 -5.317 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.474 -0.410 -5.477 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.651 -0.868 -6.955 1.00 0.00 H new ATOM 453 N VAL A 50 -10.663 -2.740 -7.014 1.00 0.00 N ATOM 454 CA VAL A 50 -9.387 -2.725 -7.709 1.00 0.00 C ATOM 455 C VAL A 50 -9.635 -2.697 -9.219 1.00 0.00 C ATOM 456 O VAL A 50 -10.413 -3.495 -9.738 1.00 0.00 O ATOM 457 CB VAL A 50 -8.536 -3.916 -7.265 1.00 0.00 C ATOM 458 CG1 VAL A 50 -9.347 -5.212 -7.293 1.00 0.00 C ATOM 459 CG2 VAL A 50 -7.275 -4.038 -8.124 1.00 0.00 C ATOM 0 H VAL A 50 -11.378 -3.324 -7.448 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.823 -1.827 -7.455 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.225 -3.740 -6.235 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.717 -6.042 -6.973 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.199 -5.122 -6.620 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.703 -5.397 -8.307 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.687 -4.892 -7.788 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.558 -4.180 -9.167 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.681 -3.129 -8.029 1.00 0.00 H new ATOM 469 N LYS A 51 -8.958 -1.771 -9.880 1.00 0.00 N ATOM 470 CA LYS A 51 -9.094 -1.629 -11.321 1.00 0.00 C ATOM 471 C LYS A 51 -7.789 -2.051 -11.996 1.00 0.00 C ATOM 472 O LYS A 51 -6.705 -1.819 -11.462 1.00 0.00 O ATOM 473 CB LYS A 51 -9.542 -0.210 -11.679 1.00 0.00 C ATOM 474 CG LYS A 51 -10.718 0.232 -10.806 1.00 0.00 C ATOM 475 CD LYS A 51 -11.985 -0.554 -11.154 1.00 0.00 C ATOM 476 CE LYS A 51 -12.984 0.324 -11.909 1.00 0.00 C ATOM 477 NZ LYS A 51 -13.276 -0.250 -13.241 1.00 0.00 N ATOM 0 H LYS A 51 -8.313 -1.111 -9.445 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.875 -2.290 -11.697 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.709 0.481 -11.550 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.830 -0.170 -12.730 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.471 0.084 -9.755 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.898 1.298 -10.944 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.724 -1.420 -11.762 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.445 -0.932 -10.241 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.906 0.412 -11.335 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.581 1.330 -12.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.956 0.359 -13.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.397 -0.312 -13.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.681 -1.201 -13.128 1.00 0.00 H new ATOM 491 N SER A 52 -7.935 -2.664 -13.161 1.00 0.00 N ATOM 492 CA SER A 52 -6.780 -3.122 -13.916 1.00 0.00 C ATOM 493 C SER A 52 -6.575 -2.235 -15.146 1.00 0.00 C ATOM 494 O SER A 52 -7.234 -2.421 -16.167 1.00 0.00 O ATOM 495 CB SER A 52 -6.941 -4.584 -14.337 1.00 0.00 C ATOM 496 OG SER A 52 -6.669 -5.480 -13.263 1.00 0.00 O ATOM 0 H SER A 52 -8.835 -2.855 -13.601 1.00 0.00 H new ATOM 0 HA SER A 52 -5.902 -3.052 -13.274 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.956 -4.748 -14.698 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.269 -4.799 -15.168 1.00 0.00 H new ATOM 0 HG SER A 52 -6.784 -6.403 -13.570 1.00 0.00 H new ATOM 502 N GLU A 53 -5.656 -1.290 -15.009 1.00 0.00 N ATOM 503 CA GLU A 53 -5.355 -0.374 -16.095 1.00 0.00 C ATOM 504 C GLU A 53 -4.066 -0.795 -16.804 1.00 0.00 C ATOM 505 O GLU A 53 -2.978 -0.362 -16.429 1.00 0.00 O ATOM 506 CB GLU A 53 -5.257 1.066 -15.589 1.00 0.00 C ATOM 507 CG GLU A 53 -6.623 1.580 -15.127 1.00 0.00 C ATOM 508 CD GLU A 53 -7.058 2.794 -15.951 1.00 0.00 C ATOM 509 OE1 GLU A 53 -7.522 2.571 -17.091 1.00 0.00 O ATOM 510 OE2 GLU A 53 -6.917 3.918 -15.424 1.00 0.00 O ATOM 0 H GLU A 53 -5.110 -1.139 -14.161 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.173 -0.416 -16.815 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.547 1.118 -14.764 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.872 1.708 -16.381 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.365 0.787 -15.221 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.577 1.850 -14.072 1.00 0.00 H new ATOM 517 N GLY A 54 -4.232 -1.636 -17.813 1.00 0.00 N ATOM 518 CA GLY A 54 -3.094 -2.122 -18.578 1.00 0.00 C ATOM 519 C GLY A 54 -2.387 -3.261 -17.843 1.00 0.00 C ATOM 520 O GLY A 54 -2.935 -4.355 -17.712 1.00 0.00 O ATOM 0 H GLY A 54 -5.136 -1.994 -18.120 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.429 -2.468 -19.556 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.393 -1.306 -18.752 1.00 0.00 H new ATOM 524 N ASP A 55 -1.179 -2.967 -17.383 1.00 0.00 N ATOM 525 CA ASP A 55 -0.392 -3.954 -16.664 1.00 0.00 C ATOM 526 C ASP A 55 -0.178 -3.481 -15.226 1.00 0.00 C ATOM 527 O ASP A 55 0.447 -4.176 -14.426 1.00 0.00 O ATOM 528 CB ASP A 55 0.984 -4.137 -17.311 1.00 0.00 C ATOM 529 CG ASP A 55 1.525 -2.906 -18.038 1.00 0.00 C ATOM 530 OD1 ASP A 55 1.298 -1.792 -17.516 1.00 0.00 O ATOM 531 OD2 ASP A 55 2.153 -3.105 -19.102 1.00 0.00 O ATOM 0 H ASP A 55 -0.727 -2.060 -17.494 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.933 -4.900 -16.689 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.696 -4.426 -16.538 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.929 -4.964 -18.019 1.00 0.00 H new ATOM 536 N LEU A 56 -0.710 -2.302 -14.939 1.00 0.00 N ATOM 537 CA LEU A 56 -0.585 -1.728 -13.610 1.00 0.00 C ATOM 538 C LEU A 56 -1.847 -2.042 -12.804 1.00 0.00 C ATOM 539 O LEU A 56 -2.892 -2.350 -13.374 1.00 0.00 O ATOM 540 CB LEU A 56 -0.269 -0.234 -13.699 1.00 0.00 C ATOM 541 CG LEU A 56 0.977 0.142 -14.502 1.00 0.00 C ATOM 542 CD1 LEU A 56 1.676 1.359 -13.895 1.00 0.00 C ATOM 543 CD2 LEU A 56 1.924 -1.054 -14.637 1.00 0.00 C ATOM 0 H LEU A 56 -1.229 -1.728 -15.604 1.00 0.00 H new ATOM 0 HA LEU A 56 0.254 -2.177 -13.078 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.127 0.273 -14.140 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.155 0.154 -12.687 1.00 0.00 H new ATOM 0 HG LEU A 56 0.663 0.421 -15.508 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.558 1.604 -14.486 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.993 2.208 -13.894 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.976 1.133 -12.872 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.802 -0.760 -15.212 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.234 -1.386 -13.646 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.411 -1.868 -15.149 1.00 0.00 H new ATOM 555 N ILE A 57 -1.708 -1.956 -11.488 1.00 0.00 N ATOM 556 CA ILE A 57 -2.822 -2.227 -10.598 1.00 0.00 C ATOM 557 C ILE A 57 -3.272 -0.921 -9.939 1.00 0.00 C ATOM 558 O ILE A 57 -2.445 -0.084 -9.584 1.00 0.00 O ATOM 559 CB ILE A 57 -2.455 -3.326 -9.599 1.00 0.00 C ATOM 560 CG1 ILE A 57 -3.618 -4.300 -9.402 1.00 0.00 C ATOM 561 CG2 ILE A 57 -1.980 -2.725 -8.273 1.00 0.00 C ATOM 562 CD1 ILE A 57 -3.321 -5.288 -8.272 1.00 0.00 C ATOM 0 H ILE A 57 -0.839 -1.702 -11.018 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.674 -2.611 -11.160 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.623 -3.898 -10.011 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.528 -3.744 -9.174 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.801 -4.845 -10.328 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.725 -3.527 -7.580 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.101 -2.105 -8.449 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.775 -2.115 -7.845 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.164 -5.969 -8.153 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.425 -5.859 -8.514 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.163 -4.741 -7.343 1.00 0.00 H new ATOM 574 N ILE A 58 -4.583 -0.789 -9.796 1.00 0.00 N ATOM 575 CA ILE A 58 -5.154 0.400 -9.186 1.00 0.00 C ATOM 576 C ILE A 58 -6.040 -0.011 -8.009 1.00 0.00 C ATOM 577 O ILE A 58 -6.913 -0.866 -8.153 1.00 0.00 O ATOM 578 CB ILE A 58 -5.877 1.245 -10.236 1.00 0.00 C ATOM 579 CG1 ILE A 58 -4.993 1.469 -11.464 1.00 0.00 C ATOM 580 CG2 ILE A 58 -6.367 2.565 -9.634 1.00 0.00 C ATOM 581 CD1 ILE A 58 -3.844 2.427 -11.146 1.00 0.00 C ATOM 0 H ILE A 58 -5.266 -1.486 -10.092 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.367 1.038 -8.784 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.757 0.696 -10.570 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.592 0.515 -11.806 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.593 1.873 -12.279 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.878 3.147 -10.401 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.057 2.358 -8.816 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.516 3.131 -9.256 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.231 2.569 -12.036 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.249 3.388 -10.828 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.232 2.008 -10.347 1.00 0.00 H new ATOM 593 N ALA A 59 -5.786 0.616 -6.870 1.00 0.00 N ATOM 594 CA ALA A 59 -6.551 0.326 -5.669 1.00 0.00 C ATOM 595 C ALA A 59 -7.648 1.378 -5.502 1.00 0.00 C ATOM 596 O ALA A 59 -7.401 2.572 -5.670 1.00 0.00 O ATOM 597 CB ALA A 59 -5.608 0.271 -4.465 1.00 0.00 C ATOM 0 H ALA A 59 -5.061 1.324 -6.753 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.037 -0.647 -5.748 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.181 0.054 -3.564 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.865 -0.511 -4.620 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.105 1.232 -4.352 1.00 0.00 H new ATOM 603 N SER A 60 -8.839 0.898 -5.174 1.00 0.00 N ATOM 604 CA SER A 60 -9.975 1.783 -4.982 1.00 0.00 C ATOM 605 C SER A 60 -10.282 1.926 -3.490 1.00 0.00 C ATOM 606 O SER A 60 -10.965 1.082 -2.910 1.00 0.00 O ATOM 607 CB SER A 60 -11.207 1.268 -5.730 1.00 0.00 C ATOM 608 OG SER A 60 -11.811 2.284 -6.528 1.00 0.00 O ATOM 0 H SER A 60 -9.042 -0.092 -5.036 1.00 0.00 H new ATOM 0 HA SER A 60 -9.718 2.761 -5.389 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.921 0.430 -6.366 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.935 0.890 -5.012 1.00 0.00 H new ATOM 0 HG SER A 60 -12.592 1.915 -6.990 1.00 0.00 H new ATOM 614 N ILE A 61 -9.764 3.000 -2.912 1.00 0.00 N ATOM 615 CA ILE A 61 -9.974 3.262 -1.498 1.00 0.00 C ATOM 616 C ILE A 61 -10.703 4.597 -1.337 1.00 0.00 C ATOM 617 O ILE A 61 -10.587 5.479 -2.185 1.00 0.00 O ATOM 618 CB ILE A 61 -8.648 3.189 -0.737 1.00 0.00 C ATOM 619 CG1 ILE A 61 -7.809 4.445 -0.977 1.00 0.00 C ATOM 620 CG2 ILE A 61 -7.883 1.911 -1.090 1.00 0.00 C ATOM 621 CD1 ILE A 61 -6.496 4.385 -0.193 1.00 0.00 C ATOM 0 H ILE A 61 -9.200 3.698 -3.397 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.610 2.494 -1.057 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.867 3.148 0.330 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.597 4.547 -2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.375 5.327 -0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.945 1.884 -0.536 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.485 1.042 -0.826 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.673 1.896 -2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.918 5.290 -0.381 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.712 4.307 0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.922 3.515 -0.511 1.00 0.00 H new ATOM 633 N PRO A 62 -11.459 4.707 -0.210 1.00 0.00 N ATOM 634 CA PRO A 62 -12.206 5.919 0.075 1.00 0.00 C ATOM 635 C PRO A 62 -11.277 7.039 0.548 1.00 0.00 C ATOM 636 O PRO A 62 -10.421 6.820 1.404 1.00 0.00 O ATOM 637 CB PRO A 62 -13.229 5.513 1.123 1.00 0.00 C ATOM 638 CG PRO A 62 -12.717 4.214 1.724 1.00 0.00 C ATOM 639 CD PRO A 62 -11.619 3.682 0.818 1.00 0.00 C ATOM 0 HA PRO A 62 -12.699 6.326 -0.808 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -13.332 6.283 1.887 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -14.213 5.375 0.675 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.333 4.384 2.730 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.526 3.488 1.810 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.692 3.526 1.369 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.896 2.723 0.381 1.00 0.00 H new ATOM 647 N GLY A 63 -11.476 8.214 -0.030 1.00 0.00 N ATOM 648 CA GLY A 63 -10.668 9.368 0.322 1.00 0.00 C ATOM 649 C GLY A 63 -9.583 9.618 -0.727 1.00 0.00 C ATOM 650 O GLY A 63 -9.109 10.743 -0.879 1.00 0.00 O ATOM 0 H GLY A 63 -12.186 8.392 -0.740 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.304 10.249 0.409 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.207 9.210 1.297 1.00 0.00 H new ATOM 654 N ILE A 64 -9.223 8.551 -1.425 1.00 0.00 N ATOM 655 CA ILE A 64 -8.203 8.641 -2.457 1.00 0.00 C ATOM 656 C ILE A 64 -8.865 8.543 -3.831 1.00 0.00 C ATOM 657 O ILE A 64 -9.885 7.874 -3.988 1.00 0.00 O ATOM 658 CB ILE A 64 -7.112 7.593 -2.223 1.00 0.00 C ATOM 659 CG1 ILE A 64 -6.239 7.968 -1.024 1.00 0.00 C ATOM 660 CG2 ILE A 64 -6.281 7.376 -3.490 1.00 0.00 C ATOM 661 CD1 ILE A 64 -6.865 7.478 0.283 1.00 0.00 C ATOM 0 H ILE A 64 -9.619 7.620 -1.297 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.700 9.607 -2.414 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.594 6.645 -1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.247 7.533 -1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.111 9.050 -0.987 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.513 6.627 -3.297 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.929 7.032 -4.296 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.808 8.314 -3.780 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.225 7.757 1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.847 7.934 0.409 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.970 6.393 0.252 1.00 0.00 H new ATOM 673 N SER A 65 -8.260 9.223 -4.794 1.00 0.00 N ATOM 674 CA SER A 65 -8.778 9.221 -6.151 1.00 0.00 C ATOM 675 C SER A 65 -8.290 7.977 -6.897 1.00 0.00 C ATOM 676 O SER A 65 -9.094 7.144 -7.312 1.00 0.00 O ATOM 677 CB SER A 65 -8.358 10.487 -6.903 1.00 0.00 C ATOM 678 OG SER A 65 -8.982 10.581 -8.180 1.00 0.00 O ATOM 0 H SER A 65 -7.415 9.779 -4.661 1.00 0.00 H new ATOM 0 HA SER A 65 -9.867 9.203 -6.100 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.615 11.364 -6.309 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.275 10.492 -7.027 1.00 0.00 H new ATOM 0 HG SER A 65 -8.690 11.403 -8.627 1.00 0.00 H new ATOM 684 N ARG A 66 -6.977 7.889 -7.042 1.00 0.00 N ATOM 685 CA ARG A 66 -6.373 6.761 -7.729 1.00 0.00 C ATOM 686 C ARG A 66 -4.935 6.553 -7.249 1.00 0.00 C ATOM 687 O ARG A 66 -4.210 7.519 -7.015 1.00 0.00 O ATOM 688 CB ARG A 66 -6.372 6.974 -9.244 1.00 0.00 C ATOM 689 CG ARG A 66 -7.439 6.112 -9.921 1.00 0.00 C ATOM 690 CD ARG A 66 -8.302 6.949 -10.868 1.00 0.00 C ATOM 691 NE ARG A 66 -9.510 7.428 -10.159 1.00 0.00 N ATOM 692 CZ ARG A 66 -10.254 8.467 -10.562 1.00 0.00 C ATOM 693 NH1 ARG A 66 -9.918 9.143 -11.670 1.00 0.00 N ATOM 694 NH2 ARG A 66 -11.333 8.832 -9.857 1.00 0.00 N ATOM 0 H ARG A 66 -6.313 8.582 -6.695 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.967 5.877 -7.498 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.554 8.025 -9.467 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.390 6.728 -9.649 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.961 5.305 -10.477 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.070 5.647 -9.164 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.729 7.797 -11.242 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.590 6.353 -11.734 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.794 6.937 -9.311 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.096 8.866 -12.207 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.485 9.934 -11.976 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.588 8.319 -9.013 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.899 9.623 -10.164 1.00 0.00 H new ATOM 708 N ILE A 67 -4.565 5.288 -7.118 1.00 0.00 N ATOM 709 CA ILE A 67 -3.226 4.943 -6.670 1.00 0.00 C ATOM 710 C ILE A 67 -2.733 3.719 -7.446 1.00 0.00 C ATOM 711 O ILE A 67 -3.533 2.890 -7.877 1.00 0.00 O ATOM 712 CB ILE A 67 -3.200 4.758 -5.152 1.00 0.00 C ATOM 713 CG1 ILE A 67 -4.231 3.719 -4.707 1.00 0.00 C ATOM 714 CG2 ILE A 67 -3.390 6.096 -4.433 1.00 0.00 C ATOM 715 CD1 ILE A 67 -5.563 4.383 -4.354 1.00 0.00 C ATOM 0 H ILE A 67 -5.168 4.489 -7.314 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.532 5.757 -6.881 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.218 4.377 -4.872 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.384 2.990 -5.503 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.853 3.173 -3.843 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.368 5.936 -3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.588 6.778 -4.716 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.350 6.528 -4.716 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.277 3.622 -4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.411 5.094 -3.542 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.951 4.907 -5.227 1.00 0.00 H new ATOM 727 N GLU A 68 -1.419 3.646 -7.601 1.00 0.00 N ATOM 728 CA GLU A 68 -0.811 2.539 -8.316 1.00 0.00 C ATOM 729 C GLU A 68 -0.042 1.638 -7.349 1.00 0.00 C ATOM 730 O GLU A 68 0.590 2.125 -6.411 1.00 0.00 O ATOM 731 CB GLU A 68 0.101 3.046 -9.437 1.00 0.00 C ATOM 732 CG GLU A 68 -0.634 3.059 -10.778 1.00 0.00 C ATOM 733 CD GLU A 68 0.006 4.057 -11.744 1.00 0.00 C ATOM 734 OE1 GLU A 68 0.791 4.898 -11.254 1.00 0.00 O ATOM 735 OE2 GLU A 68 -0.303 3.958 -12.951 1.00 0.00 O ATOM 0 H GLU A 68 -0.759 4.336 -7.243 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.605 1.950 -8.775 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.450 4.051 -9.200 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.984 2.410 -9.508 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.616 2.061 -11.216 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.681 3.320 -10.621 1.00 0.00 H new ATOM 742 N ILE A 69 -0.119 0.341 -7.607 1.00 0.00 N ATOM 743 CA ILE A 69 0.562 -0.631 -6.769 1.00 0.00 C ATOM 744 C ILE A 69 1.424 -1.539 -7.649 1.00 0.00 C ATOM 745 O ILE A 69 0.983 -1.985 -8.708 1.00 0.00 O ATOM 746 CB ILE A 69 -0.445 -1.389 -5.902 1.00 0.00 C ATOM 747 CG1 ILE A 69 -1.834 -0.753 -5.989 1.00 0.00 C ATOM 748 CG2 ILE A 69 0.048 -1.495 -4.457 1.00 0.00 C ATOM 749 CD1 ILE A 69 -1.858 0.607 -5.288 1.00 0.00 C ATOM 0 H ILE A 69 -0.643 -0.060 -8.385 1.00 0.00 H new ATOM 0 HA ILE A 69 1.234 -0.131 -6.072 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.533 -2.404 -6.289 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.118 -0.633 -7.034 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.570 -1.415 -5.533 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.686 -2.038 -3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.999 -2.027 -4.435 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.182 -0.495 -4.044 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.856 1.038 -5.364 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.597 0.479 -4.237 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.138 1.274 -5.762 1.00 0.00 H new ATOM 761 N LYS A 70 2.636 -1.791 -7.176 1.00 0.00 N ATOM 762 CA LYS A 70 3.563 -2.638 -7.906 1.00 0.00 C ATOM 763 C LYS A 70 4.285 -3.561 -6.922 1.00 0.00 C ATOM 764 O LYS A 70 5.329 -3.201 -6.379 1.00 0.00 O ATOM 765 CB LYS A 70 4.507 -1.790 -8.759 1.00 0.00 C ATOM 766 CG LYS A 70 4.127 -1.867 -10.240 1.00 0.00 C ATOM 767 CD LYS A 70 3.131 -0.767 -10.610 1.00 0.00 C ATOM 768 CE LYS A 70 3.856 0.528 -10.981 1.00 0.00 C ATOM 769 NZ LYS A 70 3.507 1.608 -10.031 1.00 0.00 N ATOM 0 H LYS A 70 2.997 -1.423 -6.296 1.00 0.00 H new ATOM 0 HA LYS A 70 3.025 -3.276 -8.607 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.473 -0.753 -8.425 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.532 -2.134 -8.625 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.023 -1.773 -10.854 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.693 -2.843 -10.457 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.515 -1.096 -11.447 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.458 -0.584 -9.772 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.933 0.363 -10.974 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.586 0.826 -11.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.110 2.415 -10.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.804 1.257 -9.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.361 1.912 -9.522 1.00 0.00 H new ATOM 783 N PRO A 71 3.685 -4.764 -6.716 1.00 0.00 N ATOM 784 CA PRO A 71 4.260 -5.742 -5.808 1.00 0.00 C ATOM 785 C PRO A 71 5.482 -6.419 -6.432 1.00 0.00 C ATOM 786 O PRO A 71 5.454 -6.802 -7.601 1.00 0.00 O ATOM 787 CB PRO A 71 3.129 -6.713 -5.509 1.00 0.00 C ATOM 788 CG PRO A 71 2.107 -6.516 -6.616 1.00 0.00 C ATOM 789 CD PRO A 71 2.448 -5.224 -7.340 1.00 0.00 C ATOM 0 HA PRO A 71 4.635 -5.293 -4.888 1.00 0.00 H new ATOM 0 HB2 PRO A 71 3.491 -7.741 -5.490 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.690 -6.512 -4.532 1.00 0.00 H new ATOM 0 HG2 PRO A 71 2.127 -7.358 -7.308 1.00 0.00 H new ATOM 0 HG3 PRO A 71 1.100 -6.467 -6.202 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.583 -5.393 -8.408 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.652 -4.487 -7.231 1.00 0.00 H new ATOM 797 N ASP A 72 6.525 -6.545 -5.625 1.00 0.00 N ATOM 798 CA ASP A 72 7.755 -7.169 -6.084 1.00 0.00 C ATOM 799 C ASP A 72 8.245 -8.157 -5.023 1.00 0.00 C ATOM 800 O ASP A 72 8.045 -7.941 -3.829 1.00 0.00 O ATOM 801 CB ASP A 72 8.851 -6.127 -6.304 1.00 0.00 C ATOM 802 CG ASP A 72 9.683 -6.323 -7.574 1.00 0.00 C ATOM 803 OD1 ASP A 72 9.161 -6.982 -8.499 1.00 0.00 O ATOM 804 OD2 ASP A 72 10.823 -5.809 -7.591 1.00 0.00 O ATOM 0 H ASP A 72 6.544 -6.226 -4.656 1.00 0.00 H new ATOM 0 HA ASP A 72 7.547 -7.676 -7.026 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.391 -5.139 -6.338 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.520 -6.138 -5.444 1.00 0.00 H new ATOM 809 N LYS A 73 8.880 -9.219 -5.499 1.00 0.00 N ATOM 810 CA LYS A 73 9.402 -10.239 -4.607 1.00 0.00 C ATOM 811 C LYS A 73 10.322 -9.586 -3.573 1.00 0.00 C ATOM 812 O LYS A 73 10.415 -10.052 -2.439 1.00 0.00 O ATOM 813 CB LYS A 73 10.074 -11.357 -5.407 1.00 0.00 C ATOM 814 CG LYS A 73 9.125 -12.543 -5.595 1.00 0.00 C ATOM 815 CD LYS A 73 9.885 -13.869 -5.523 1.00 0.00 C ATOM 816 CE LYS A 73 8.952 -15.015 -5.119 1.00 0.00 C ATOM 817 NZ LYS A 73 9.701 -16.287 -5.037 1.00 0.00 N ATOM 0 H LYS A 73 9.044 -9.394 -6.490 1.00 0.00 H new ATOM 0 HA LYS A 73 8.590 -10.714 -4.057 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.384 -10.977 -6.380 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.976 -11.686 -4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.352 -12.520 -4.827 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.620 -12.461 -6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.336 -14.087 -6.491 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.699 -13.787 -4.803 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.491 -14.795 -4.156 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.144 -15.108 -5.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.054 -17.054 -4.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.120 -16.503 -5.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.456 -16.200 -4.327 1.00 0.00 H new ATOM 831 N ARG A 74 10.976 -8.517 -4.002 1.00 0.00 N ATOM 832 CA ARG A 74 11.884 -7.794 -3.127 1.00 0.00 C ATOM 833 C ARG A 74 11.098 -6.881 -2.184 1.00 0.00 C ATOM 834 O ARG A 74 11.038 -7.129 -0.981 1.00 0.00 O ATOM 835 CB ARG A 74 12.873 -6.953 -3.935 1.00 0.00 C ATOM 836 CG ARG A 74 14.240 -6.903 -3.248 1.00 0.00 C ATOM 837 CD ARG A 74 15.263 -6.166 -4.114 1.00 0.00 C ATOM 838 NE ARG A 74 16.575 -6.845 -4.037 1.00 0.00 N ATOM 839 CZ ARG A 74 16.784 -8.117 -4.408 1.00 0.00 C ATOM 840 NH1 ARG A 74 15.770 -8.851 -4.882 1.00 0.00 N ATOM 841 NH2 ARG A 74 18.009 -8.651 -4.304 1.00 0.00 N ATOM 0 H ARG A 74 10.896 -8.134 -4.944 1.00 0.00 H new ATOM 0 HA ARG A 74 12.440 -8.529 -2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 74 12.980 -7.372 -4.935 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.484 -5.942 -4.053 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.148 -6.404 -2.283 1.00 0.00 H new ATOM 0 HG3 ARG A 74 14.589 -7.917 -3.050 1.00 0.00 H new ATOM 0 HD2 ARG A 74 14.921 -6.135 -5.148 1.00 0.00 H new ATOM 0 HD3 ARG A 74 15.359 -5.133 -3.779 1.00 0.00 H new ATOM 0 HE ARG A 74 17.369 -6.314 -3.680 1.00 0.00 H new ATOM 0 HH11 ARG A 74 14.838 -8.443 -4.961 1.00 0.00 H new ATOM 0 HH12 ARG A 74 15.929 -9.818 -5.164 1.00 0.00 H new ATOM 0 HH21 ARG A 74 18.781 -8.090 -3.943 1.00 0.00 H new ATOM 0 HH22 ARG A 74 18.169 -9.618 -4.586 1.00 0.00 H new ATOM 855 N LYS A 75 10.516 -5.843 -2.767 1.00 0.00 N ATOM 856 CA LYS A 75 9.738 -4.891 -1.995 1.00 0.00 C ATOM 857 C LYS A 75 8.582 -4.369 -2.850 1.00 0.00 C ATOM 858 O LYS A 75 8.443 -4.752 -4.012 1.00 0.00 O ATOM 859 CB LYS A 75 10.640 -3.786 -1.439 1.00 0.00 C ATOM 860 CG LYS A 75 11.579 -3.251 -2.520 1.00 0.00 C ATOM 861 CD LYS A 75 13.025 -3.220 -2.024 1.00 0.00 C ATOM 862 CE LYS A 75 13.968 -2.699 -3.111 1.00 0.00 C ATOM 863 NZ LYS A 75 15.367 -2.693 -2.625 1.00 0.00 N ATOM 0 H LYS A 75 10.568 -5.641 -3.765 1.00 0.00 H new ATOM 0 HA LYS A 75 9.297 -5.378 -1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.027 -2.973 -1.049 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.224 -4.174 -0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.509 -3.877 -3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.269 -2.247 -2.812 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.097 -2.585 -1.141 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.331 -4.222 -1.722 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.888 -3.325 -4.000 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.674 -1.691 -3.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 16.007 -2.467 -3.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.472 -1.977 -1.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.606 -3.630 -2.243 1.00 0.00 H new ATOM 877 N ILE A 76 7.782 -3.504 -2.245 1.00 0.00 N ATOM 878 CA ILE A 76 6.643 -2.926 -2.937 1.00 0.00 C ATOM 879 C ILE A 76 6.739 -1.400 -2.883 1.00 0.00 C ATOM 880 O ILE A 76 7.408 -0.846 -2.011 1.00 0.00 O ATOM 881 CB ILE A 76 5.334 -3.481 -2.371 1.00 0.00 C ATOM 882 CG1 ILE A 76 4.912 -2.715 -1.115 1.00 0.00 C ATOM 883 CG2 ILE A 76 5.440 -4.985 -2.117 1.00 0.00 C ATOM 884 CD1 ILE A 76 3.507 -3.124 -0.671 1.00 0.00 C ATOM 0 H ILE A 76 7.900 -3.189 -1.282 1.00 0.00 H new ATOM 0 HA ILE A 76 6.653 -3.209 -3.990 1.00 0.00 H new ATOM 0 HB ILE A 76 4.551 -3.336 -3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.622 -2.908 -0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.938 -1.643 -1.312 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.496 -5.354 -1.715 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.660 -5.497 -3.053 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.239 -5.178 -1.401 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.231 -2.565 0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.796 -2.907 -1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.491 -4.191 -0.451 1.00 0.00 H new ATOM 896 N LEU A 77 6.060 -0.763 -3.827 1.00 0.00 N ATOM 897 CA LEU A 77 6.061 0.689 -3.897 1.00 0.00 C ATOM 898 C LEU A 77 4.651 1.179 -4.232 1.00 0.00 C ATOM 899 O LEU A 77 3.874 0.464 -4.863 1.00 0.00 O ATOM 900 CB LEU A 77 7.131 1.178 -4.876 1.00 0.00 C ATOM 901 CG LEU A 77 7.404 0.272 -6.079 1.00 0.00 C ATOM 902 CD1 LEU A 77 8.027 -1.053 -5.637 1.00 0.00 C ATOM 903 CD2 LEU A 77 6.133 0.060 -6.904 1.00 0.00 C ATOM 0 H LEU A 77 5.506 -1.225 -4.548 1.00 0.00 H new ATOM 0 HA LEU A 77 6.327 1.117 -2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.836 2.160 -5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.063 1.311 -4.327 1.00 0.00 H new ATOM 0 HG LEU A 77 8.128 0.769 -6.724 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.211 -1.678 -6.511 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.969 -0.859 -5.125 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.345 -1.568 -4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.354 -0.587 -7.753 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.369 -0.406 -6.282 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.770 1.022 -7.266 1.00 0.00 H new ATOM 915 N VAL A 78 4.362 2.396 -3.795 1.00 0.00 N ATOM 916 CA VAL A 78 3.060 2.990 -4.041 1.00 0.00 C ATOM 917 C VAL A 78 3.242 4.327 -4.765 1.00 0.00 C ATOM 918 O VAL A 78 4.139 5.099 -4.434 1.00 0.00 O ATOM 919 CB VAL A 78 2.289 3.124 -2.725 1.00 0.00 C ATOM 920 CG1 VAL A 78 2.321 1.813 -1.936 1.00 0.00 C ATOM 921 CG2 VAL A 78 2.831 4.283 -1.888 1.00 0.00 C ATOM 0 H VAL A 78 5.008 2.987 -3.272 1.00 0.00 H new ATOM 0 HA VAL A 78 2.464 2.347 -4.689 1.00 0.00 H new ATOM 0 HB VAL A 78 1.249 3.344 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.766 1.935 -1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.865 1.020 -2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.354 1.549 -1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.266 4.356 -0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.882 4.107 -1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.732 5.213 -2.447 1.00 0.00 H new ATOM 931 N ASN A 79 2.374 4.557 -5.740 1.00 0.00 N ATOM 932 CA ASN A 79 2.428 5.785 -6.514 1.00 0.00 C ATOM 933 C ASN A 79 1.038 6.424 -6.545 1.00 0.00 C ATOM 934 O ASN A 79 0.100 5.853 -7.100 1.00 0.00 O ATOM 935 CB ASN A 79 2.854 5.510 -7.956 1.00 0.00 C ATOM 936 CG ASN A 79 4.062 4.571 -8.003 1.00 0.00 C ATOM 937 OD1 ASN A 79 4.490 4.020 -7.002 1.00 0.00 O ATOM 938 ND2 ASN A 79 4.586 4.423 -9.216 1.00 0.00 N ATOM 0 H ASN A 79 1.630 3.914 -6.011 1.00 0.00 H new ATOM 0 HA ASN A 79 3.155 6.448 -6.044 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.023 5.067 -8.506 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.100 6.449 -8.452 1.00 0.00 H new ATOM 0 HD21 ASN A 79 5.396 3.818 -9.351 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.178 4.914 -10.011 1.00 0.00 H new ATOM 945 N THR A 80 0.949 7.601 -5.942 1.00 0.00 N ATOM 946 CA THR A 80 -0.310 8.324 -5.893 1.00 0.00 C ATOM 947 C THR A 80 -0.346 9.404 -6.975 1.00 0.00 C ATOM 948 O THR A 80 0.651 9.642 -7.654 1.00 0.00 O ATOM 949 CB THR A 80 -0.484 8.876 -4.477 1.00 0.00 C ATOM 950 OG1 THR A 80 0.346 10.036 -4.452 1.00 0.00 O ATOM 951 CG2 THR A 80 0.124 7.962 -3.412 1.00 0.00 C ATOM 0 H THR A 80 1.729 8.072 -5.483 1.00 0.00 H new ATOM 0 HA THR A 80 -1.153 7.666 -6.106 1.00 0.00 H new ATOM 0 HB THR A 80 -1.545 9.017 -4.271 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.292 10.458 -3.569 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.028 8.401 -2.426 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.358 6.985 -3.452 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.192 7.847 -3.598 1.00 0.00 H new ATOM 959 N GLY A 81 -1.509 10.028 -7.104 1.00 0.00 N ATOM 960 CA GLY A 81 -1.688 11.079 -8.093 1.00 0.00 C ATOM 961 C GLY A 81 -2.226 12.355 -7.445 1.00 0.00 C ATOM 962 O GLY A 81 -1.488 13.324 -7.267 1.00 0.00 O ATOM 0 H GLY A 81 -2.335 9.826 -6.541 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.737 11.289 -8.582 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.377 10.741 -8.867 1.00 0.00 H new ATOM 966 N ASP A 82 -3.507 12.318 -7.110 1.00 0.00 N ATOM 967 CA ASP A 82 -4.152 13.460 -6.485 1.00 0.00 C ATOM 968 C ASP A 82 -5.091 12.969 -5.383 1.00 0.00 C ATOM 969 O ASP A 82 -5.834 12.006 -5.576 1.00 0.00 O ATOM 970 CB ASP A 82 -4.984 14.245 -7.500 1.00 0.00 C ATOM 971 CG ASP A 82 -4.964 15.764 -7.315 1.00 0.00 C ATOM 972 OD1 ASP A 82 -3.895 16.275 -6.922 1.00 0.00 O ATOM 973 OD2 ASP A 82 -6.023 16.380 -7.571 1.00 0.00 O ATOM 0 H ASP A 82 -4.116 11.514 -7.260 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.374 14.107 -6.079 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.623 14.011 -8.502 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.017 13.901 -7.445 1.00 0.00 H new ATOM 978 N TYR A 83 -5.031 13.654 -4.249 1.00 0.00 N ATOM 979 CA TYR A 83 -5.868 13.300 -3.116 1.00 0.00 C ATOM 980 C TYR A 83 -7.187 14.075 -3.145 1.00 0.00 C ATOM 981 O TYR A 83 -7.299 15.092 -3.828 1.00 0.00 O ATOM 982 CB TYR A 83 -5.080 13.705 -1.868 1.00 0.00 C ATOM 983 CG TYR A 83 -4.384 12.538 -1.165 1.00 0.00 C ATOM 984 CD1 TYR A 83 -3.777 11.547 -1.910 1.00 0.00 C ATOM 985 CD2 TYR A 83 -4.363 12.476 0.214 1.00 0.00 C ATOM 986 CE1 TYR A 83 -3.121 10.449 -1.249 1.00 0.00 C ATOM 987 CE2 TYR A 83 -3.707 11.377 0.874 1.00 0.00 C ATOM 988 CZ TYR A 83 -3.119 10.417 0.111 1.00 0.00 C ATOM 989 OH TYR A 83 -2.500 9.381 0.735 1.00 0.00 O ATOM 0 H TYR A 83 -4.415 14.452 -4.092 1.00 0.00 H new ATOM 0 HA TYR A 83 -6.108 12.237 -3.133 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.331 14.446 -2.148 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.758 14.188 -1.164 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -3.794 11.595 -2.989 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.838 13.251 0.797 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -2.641 9.668 -1.820 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.682 11.316 1.952 1.00 0.00 H new ATOM 0 HH TYR A 83 -2.962 8.545 0.517 1.00 0.00 H new ATOM 1044 N ASP A 88 -10.585 14.758 5.047 1.00 0.00 N ATOM 1045 CA ASP A 88 -9.602 14.934 6.101 1.00 0.00 C ATOM 1046 C ASP A 88 -8.277 14.300 5.669 1.00 0.00 C ATOM 1047 O ASP A 88 -8.152 13.076 5.635 1.00 0.00 O ATOM 1048 CB ASP A 88 -10.053 14.250 7.394 1.00 0.00 C ATOM 1049 CG ASP A 88 -11.262 14.892 8.075 1.00 0.00 C ATOM 1050 OD1 ASP A 88 -12.379 14.701 7.546 1.00 0.00 O ATOM 1051 OD2 ASP A 88 -11.044 15.556 9.111 1.00 0.00 O ATOM 0 HA ASP A 88 -9.486 16.003 6.279 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.289 13.209 7.174 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.219 14.246 8.096 1.00 0.00 H new ATOM 1056 N LYS A 89 -7.323 15.160 5.348 1.00 0.00 N ATOM 1057 CA LYS A 89 -6.013 14.701 4.919 1.00 0.00 C ATOM 1058 C LYS A 89 -5.507 13.636 5.893 1.00 0.00 C ATOM 1059 O LYS A 89 -4.709 12.777 5.521 1.00 0.00 O ATOM 1060 CB LYS A 89 -5.059 15.884 4.750 1.00 0.00 C ATOM 1061 CG LYS A 89 -5.403 16.693 3.498 1.00 0.00 C ATOM 1062 CD LYS A 89 -4.187 17.476 3.000 1.00 0.00 C ATOM 1063 CE LYS A 89 -4.616 18.681 2.160 1.00 0.00 C ATOM 1064 NZ LYS A 89 -4.913 19.840 3.030 1.00 0.00 N ATOM 0 H LYS A 89 -7.431 16.174 5.376 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.076 14.231 3.937 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.113 16.527 5.629 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.033 15.521 4.682 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -5.755 16.023 2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.218 17.382 3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -3.594 17.814 3.850 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -3.548 16.823 2.406 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -3.826 18.941 1.456 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.497 18.426 1.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.203 20.649 2.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.682 19.594 3.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.063 20.093 3.573 1.00 0.00 H new ATOM 1078 N LEU A 90 -5.992 13.726 7.122 1.00 0.00 N ATOM 1079 CA LEU A 90 -5.599 12.780 8.154 1.00 0.00 C ATOM 1080 C LEU A 90 -6.349 11.463 7.945 1.00 0.00 C ATOM 1081 O LEU A 90 -5.745 10.391 7.969 1.00 0.00 O ATOM 1082 CB LEU A 90 -5.800 13.389 9.543 1.00 0.00 C ATOM 1083 CG LEU A 90 -4.528 13.810 10.283 1.00 0.00 C ATOM 1084 CD1 LEU A 90 -4.149 15.253 9.942 1.00 0.00 C ATOM 1085 CD2 LEU A 90 -4.673 13.595 11.790 1.00 0.00 C ATOM 0 H LEU A 90 -6.654 14.439 7.427 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.535 12.556 8.081 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.445 14.262 9.445 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.333 12.666 10.161 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.710 13.174 9.946 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.242 15.528 10.480 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.975 15.340 8.870 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.960 15.921 10.233 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.755 13.902 12.291 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.507 14.189 12.164 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.860 12.540 11.991 1.00 0.00 H new ATOM 1097 N ALA A 91 -7.653 11.587 7.744 1.00 0.00 N ATOM 1098 CA ALA A 91 -8.491 10.419 7.531 1.00 0.00 C ATOM 1099 C ALA A 91 -8.027 9.687 6.270 1.00 0.00 C ATOM 1100 O ALA A 91 -7.765 8.485 6.307 1.00 0.00 O ATOM 1101 CB ALA A 91 -9.955 10.850 7.448 1.00 0.00 C ATOM 0 H ALA A 91 -8.149 12.478 7.724 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.402 9.725 8.367 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.584 9.974 7.288 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.244 11.339 8.378 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.083 11.545 6.618 1.00 0.00 H new ATOM 1107 N VAL A 92 -7.938 10.441 5.184 1.00 0.00 N ATOM 1108 CA VAL A 92 -7.510 9.879 3.915 1.00 0.00 C ATOM 1109 C VAL A 92 -6.174 9.159 4.105 1.00 0.00 C ATOM 1110 O VAL A 92 -5.983 8.053 3.603 1.00 0.00 O ATOM 1111 CB VAL A 92 -7.452 10.976 2.850 1.00 0.00 C ATOM 1112 CG1 VAL A 92 -8.809 11.664 2.699 1.00 0.00 C ATOM 1113 CG2 VAL A 92 -6.354 11.993 3.168 1.00 0.00 C ATOM 0 H VAL A 92 -8.155 11.437 5.157 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.230 9.140 3.563 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.206 10.506 1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.741 12.440 1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -9.558 10.930 2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.096 12.114 3.649 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.335 12.761 2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.555 12.455 4.134 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.389 11.488 3.201 1.00 0.00 H new ATOM 1123 N VAL A 93 -5.282 9.817 4.832 1.00 0.00 N ATOM 1124 CA VAL A 93 -3.968 9.254 5.096 1.00 0.00 C ATOM 1125 C VAL A 93 -4.111 8.060 6.041 1.00 0.00 C ATOM 1126 O VAL A 93 -3.409 7.061 5.894 1.00 0.00 O ATOM 1127 CB VAL A 93 -3.034 10.338 5.638 1.00 0.00 C ATOM 1128 CG1 VAL A 93 -1.943 9.728 6.520 1.00 0.00 C ATOM 1129 CG2 VAL A 93 -2.425 11.156 4.499 1.00 0.00 C ATOM 0 H VAL A 93 -5.444 10.735 5.246 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.517 8.887 4.174 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.626 11.014 6.255 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.292 10.519 6.893 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.403 9.210 7.361 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.356 9.020 5.935 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.765 11.919 4.912 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.854 10.498 3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.221 11.634 3.928 1.00 0.00 H new ATOM 1139 N ARG A 94 -5.025 8.201 6.990 1.00 0.00 N ATOM 1140 CA ARG A 94 -5.269 7.146 7.959 1.00 0.00 C ATOM 1141 C ARG A 94 -5.840 5.909 7.264 1.00 0.00 C ATOM 1142 O ARG A 94 -5.548 4.781 7.657 1.00 0.00 O ATOM 1143 CB ARG A 94 -6.242 7.609 9.044 1.00 0.00 C ATOM 1144 CG ARG A 94 -5.550 8.543 10.039 1.00 0.00 C ATOM 1145 CD ARG A 94 -4.960 7.755 11.210 1.00 0.00 C ATOM 1146 NE ARG A 94 -3.749 8.439 11.721 1.00 0.00 N ATOM 1147 CZ ARG A 94 -3.766 9.619 12.355 1.00 0.00 C ATOM 1148 NH1 ARG A 94 -4.928 10.255 12.558 1.00 0.00 N ATOM 1149 NH2 ARG A 94 -2.619 10.165 12.783 1.00 0.00 N ATOM 0 H ARG A 94 -5.606 9.031 7.108 1.00 0.00 H new ATOM 0 HA ARG A 94 -4.316 6.897 8.425 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.087 8.123 8.585 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.643 6.743 9.571 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -4.759 9.097 9.534 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.265 9.276 10.413 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -5.699 7.663 12.006 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -4.709 6.744 10.889 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.847 7.983 11.581 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.800 9.841 12.230 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.940 11.153 13.041 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -1.734 9.682 12.626 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -2.631 11.063 13.266 1.00 0.00 H new ATOM 1163 N THR A 95 -6.644 6.163 6.242 1.00 0.00 N ATOM 1164 CA THR A 95 -7.261 5.083 5.488 1.00 0.00 C ATOM 1165 C THR A 95 -6.318 4.597 4.386 1.00 0.00 C ATOM 1166 O THR A 95 -6.407 3.451 3.948 1.00 0.00 O ATOM 1167 CB THR A 95 -8.607 5.584 4.960 1.00 0.00 C ATOM 1168 OG1 THR A 95 -9.464 5.538 6.098 1.00 0.00 O ATOM 1169 CG2 THR A 95 -9.247 4.608 3.971 1.00 0.00 C ATOM 0 H THR A 95 -6.883 7.100 5.918 1.00 0.00 H new ATOM 0 HA THR A 95 -7.447 4.214 6.120 1.00 0.00 H new ATOM 0 HB THR A 95 -8.471 6.552 4.478 1.00 0.00 H new ATOM 0 HG1 THR A 95 -10.359 5.848 5.846 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.199 5.011 3.627 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.583 4.467 3.118 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.415 3.650 4.463 1.00 0.00 H new ATOM 1177 N TYR A 96 -5.435 5.494 3.969 1.00 0.00 N ATOM 1178 CA TYR A 96 -4.477 5.169 2.926 1.00 0.00 C ATOM 1179 C TYR A 96 -3.287 4.395 3.495 1.00 0.00 C ATOM 1180 O TYR A 96 -2.933 3.333 2.985 1.00 0.00 O ATOM 1181 CB TYR A 96 -3.981 6.511 2.378 1.00 0.00 C ATOM 1182 CG TYR A 96 -2.806 6.389 1.407 1.00 0.00 C ATOM 1183 CD1 TYR A 96 -3.038 6.145 0.069 1.00 0.00 C ATOM 1184 CD2 TYR A 96 -1.512 6.525 1.869 1.00 0.00 C ATOM 1185 CE1 TYR A 96 -1.930 6.030 -0.846 1.00 0.00 C ATOM 1186 CE2 TYR A 96 -0.405 6.412 0.955 1.00 0.00 C ATOM 1187 CZ TYR A 96 -0.669 6.169 -0.357 1.00 0.00 C ATOM 1188 OH TYR A 96 0.376 6.062 -1.220 1.00 0.00 O ATOM 0 H TYR A 96 -5.363 6.444 4.334 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.940 4.548 2.160 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.806 7.013 1.873 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.685 7.146 3.213 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.050 6.040 -0.293 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -1.330 6.716 2.916 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.098 5.838 -1.895 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.612 6.518 1.303 1.00 0.00 H new ATOM 0 HH TYR A 96 1.187 6.414 -0.797 1.00 0.00 H new ATOM 1198 N ASN A 97 -2.703 4.956 4.544 1.00 0.00 N ATOM 1199 CA ASN A 97 -1.560 4.330 5.187 1.00 0.00 C ATOM 1200 C ASN A 97 -1.999 3.012 5.828 1.00 0.00 C ATOM 1201 O ASN A 97 -1.252 2.035 5.820 1.00 0.00 O ATOM 1202 CB ASN A 97 -0.993 5.226 6.292 1.00 0.00 C ATOM 1203 CG ASN A 97 -1.686 4.955 7.629 1.00 0.00 C ATOM 1204 OD1 ASN A 97 -1.680 3.851 8.148 1.00 0.00 O ATOM 1205 ND2 ASN A 97 -2.282 6.022 8.154 1.00 0.00 N ATOM 0 H ASN A 97 -3.000 5.837 4.964 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.796 4.162 4.428 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.078 5.052 6.392 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.122 6.273 6.018 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.773 5.945 9.045 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.248 6.917 7.666 1.00 0.00 H new ATOM 1212 N ASP A 98 -3.210 3.028 6.368 1.00 0.00 N ATOM 1213 CA ASP A 98 -3.758 1.845 7.010 1.00 0.00 C ATOM 1214 C ASP A 98 -3.926 0.735 5.970 1.00 0.00 C ATOM 1215 O ASP A 98 -3.666 -0.432 6.255 1.00 0.00 O ATOM 1216 CB ASP A 98 -5.131 2.135 7.618 1.00 0.00 C ATOM 1217 CG ASP A 98 -5.881 0.907 8.137 1.00 0.00 C ATOM 1218 OD1 ASP A 98 -5.521 0.447 9.242 1.00 0.00 O ATOM 1219 OD2 ASP A 98 -6.798 0.456 7.416 1.00 0.00 O ATOM 0 H ASP A 98 -3.826 3.841 6.374 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.070 1.541 7.799 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.006 2.840 8.440 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.748 2.628 6.866 1.00 0.00 H new ATOM 1224 N PHE A 99 -4.361 1.141 4.785 1.00 0.00 N ATOM 1225 CA PHE A 99 -4.567 0.195 3.702 1.00 0.00 C ATOM 1226 C PHE A 99 -3.243 -0.436 3.266 1.00 0.00 C ATOM 1227 O PHE A 99 -3.146 -1.656 3.138 1.00 0.00 O ATOM 1228 CB PHE A 99 -5.153 0.982 2.527 1.00 0.00 C ATOM 1229 CG PHE A 99 -5.137 0.223 1.200 1.00 0.00 C ATOM 1230 CD1 PHE A 99 -6.166 -0.605 0.877 1.00 0.00 C ATOM 1231 CD2 PHE A 99 -4.093 0.376 0.340 1.00 0.00 C ATOM 1232 CE1 PHE A 99 -6.150 -1.310 -0.356 1.00 0.00 C ATOM 1233 CE2 PHE A 99 -4.078 -0.328 -0.891 1.00 0.00 C ATOM 1234 CZ PHE A 99 -5.107 -1.157 -1.215 1.00 0.00 C ATOM 0 H PHE A 99 -4.576 2.111 4.552 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.231 -0.606 4.028 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.181 1.257 2.764 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.594 1.910 2.410 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -6.995 -0.727 1.558 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.276 1.034 0.595 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.967 -1.968 -0.612 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.249 -0.206 -1.572 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.095 -1.693 -2.153 1.00 0.00 H new ATOM 1244 N ILE A 100 -2.257 0.422 3.049 1.00 0.00 N ATOM 1245 CA ILE A 100 -0.944 -0.038 2.631 1.00 0.00 C ATOM 1246 C ILE A 100 -0.316 -0.867 3.754 1.00 0.00 C ATOM 1247 O ILE A 100 0.281 -1.911 3.500 1.00 0.00 O ATOM 1248 CB ILE A 100 -0.081 1.143 2.182 1.00 0.00 C ATOM 1249 CG1 ILE A 100 -0.786 1.956 1.095 1.00 0.00 C ATOM 1250 CG2 ILE A 100 1.305 0.673 1.738 1.00 0.00 C ATOM 1251 CD1 ILE A 100 -0.769 1.213 -0.242 1.00 0.00 C ATOM 0 H ILE A 100 -2.341 1.433 3.155 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.028 -0.691 1.762 1.00 0.00 H new ATOM 0 HB ILE A 100 0.062 1.804 3.036 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.816 2.152 1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.296 2.923 0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.897 1.532 1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.803 0.173 2.569 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.204 -0.022 0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.277 1.812 -0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.262 1.040 -0.549 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.281 0.257 -0.133 1.00 0.00 H new ATOM 1263 N GLU A 101 -0.473 -0.369 4.972 1.00 0.00 N ATOM 1264 CA GLU A 101 0.071 -1.050 6.135 1.00 0.00 C ATOM 1265 C GLU A 101 -0.375 -2.514 6.148 1.00 0.00 C ATOM 1266 O GLU A 101 0.380 -3.392 6.563 1.00 0.00 O ATOM 1267 CB GLU A 101 -0.339 -0.340 7.427 1.00 0.00 C ATOM 1268 CG GLU A 101 0.829 0.460 8.005 1.00 0.00 C ATOM 1269 CD GLU A 101 0.546 0.879 9.451 1.00 0.00 C ATOM 1270 OE1 GLU A 101 -0.309 0.215 10.075 1.00 0.00 O ATOM 1271 OE2 GLU A 101 1.189 1.853 9.895 1.00 0.00 O ATOM 0 H GLU A 101 -0.969 0.498 5.179 1.00 0.00 H new ATOM 0 HA GLU A 101 1.159 -1.022 6.074 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.179 0.326 7.230 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.679 -1.074 8.158 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.739 -0.139 7.968 1.00 0.00 H new ATOM 0 HG3 GLU A 101 1.006 1.345 7.394 1.00 0.00 H new ATOM 1278 N LYS A 102 -1.599 -2.731 5.692 1.00 0.00 N ATOM 1279 CA LYS A 102 -2.154 -4.074 5.647 1.00 0.00 C ATOM 1280 C LYS A 102 -1.661 -4.783 4.383 1.00 0.00 C ATOM 1281 O LYS A 102 -1.544 -6.006 4.359 1.00 0.00 O ATOM 1282 CB LYS A 102 -3.678 -4.027 5.771 1.00 0.00 C ATOM 1283 CG LYS A 102 -4.172 -5.021 6.824 1.00 0.00 C ATOM 1284 CD LYS A 102 -4.463 -4.315 8.150 1.00 0.00 C ATOM 1285 CE LYS A 102 -4.999 -5.302 9.190 1.00 0.00 C ATOM 1286 NZ LYS A 102 -4.098 -5.358 10.364 1.00 0.00 N ATOM 0 H LYS A 102 -2.223 -2.000 5.350 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.805 -4.660 6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -3.994 -3.019 6.040 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.132 -4.257 4.807 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -5.074 -5.517 6.466 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -3.422 -5.796 6.978 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.553 -3.846 8.524 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.190 -3.519 7.990 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.998 -5.001 9.505 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -5.090 -6.293 8.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -4.476 -6.032 11.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -3.152 -5.667 10.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -4.032 -4.414 10.796 1.00 0.00 H new ATOM 1300 N LEU A 103 -1.385 -3.982 3.364 1.00 0.00 N ATOM 1301 CA LEU A 103 -0.908 -4.517 2.099 1.00 0.00 C ATOM 1302 C LEU A 103 0.593 -4.790 2.202 1.00 0.00 C ATOM 1303 O LEU A 103 1.151 -5.525 1.387 1.00 0.00 O ATOM 1304 CB LEU A 103 -1.286 -3.585 0.947 1.00 0.00 C ATOM 1305 CG LEU A 103 -2.471 -4.029 0.086 1.00 0.00 C ATOM 1306 CD1 LEU A 103 -3.762 -4.064 0.908 1.00 0.00 C ATOM 1307 CD2 LEU A 103 -2.607 -3.149 -1.156 1.00 0.00 C ATOM 0 H LEU A 103 -1.482 -2.967 3.388 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.392 -5.469 1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.511 -2.602 1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.416 -3.468 0.300 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.280 -5.045 -0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.589 -4.382 0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.648 -4.765 1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.969 -3.069 1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.457 -3.486 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.764 -2.114 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.697 -3.218 -1.752 1.00 0.00 H new ATOM 1319 N THR A 104 1.206 -4.185 3.210 1.00 0.00 N ATOM 1320 CA THR A 104 2.632 -4.356 3.429 1.00 0.00 C ATOM 1321 C THR A 104 2.882 -5.214 4.669 1.00 0.00 C ATOM 1322 O THR A 104 3.811 -6.022 4.693 1.00 0.00 O ATOM 1323 CB THR A 104 3.267 -2.965 3.513 1.00 0.00 C ATOM 1324 OG1 THR A 104 2.663 -2.378 4.662 1.00 0.00 O ATOM 1325 CG2 THR A 104 2.837 -2.055 2.361 1.00 0.00 C ATOM 0 H THR A 104 0.741 -3.576 3.883 1.00 0.00 H new ATOM 0 HA THR A 104 3.098 -4.893 2.603 1.00 0.00 H new ATOM 0 HB THR A 104 4.353 -3.061 3.514 1.00 0.00 H new ATOM 0 HG1 THR A 104 1.777 -2.033 4.425 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.315 -1.081 2.468 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.135 -2.503 1.413 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.754 -1.931 2.380 1.00 0.00 H new ATOM 1333 N GLY A 105 2.041 -5.009 5.671 1.00 0.00 N ATOM 1334 CA GLY A 105 2.159 -5.754 6.913 1.00 0.00 C ATOM 1335 C GLY A 105 3.085 -5.036 7.898 1.00 0.00 C ATOM 1336 O GLY A 105 2.912 -5.145 9.111 1.00 0.00 O ATOM 0 H GLY A 105 1.274 -4.337 5.648 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.173 -5.880 7.361 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.545 -6.752 6.707 1.00 0.00 H new ATOM 1340 N TYR A 106 4.046 -4.316 7.339 1.00 0.00 N ATOM 1341 CA TYR A 106 4.999 -3.580 8.152 1.00 0.00 C ATOM 1342 C TYR A 106 4.342 -2.355 8.792 1.00 0.00 C ATOM 1343 O TYR A 106 3.737 -1.538 8.100 1.00 0.00 O ATOM 1344 CB TYR A 106 6.098 -3.114 7.196 1.00 0.00 C ATOM 1345 CG TYR A 106 7.327 -4.027 7.167 1.00 0.00 C ATOM 1346 CD1 TYR A 106 7.278 -5.227 6.488 1.00 0.00 C ATOM 1347 CD2 TYR A 106 8.482 -3.648 7.818 1.00 0.00 C ATOM 1348 CE1 TYR A 106 8.433 -6.086 6.460 1.00 0.00 C ATOM 1349 CE2 TYR A 106 9.638 -4.507 7.790 1.00 0.00 C ATOM 1350 CZ TYR A 106 9.555 -5.684 7.112 1.00 0.00 C ATOM 1351 OH TYR A 106 10.648 -6.495 7.087 1.00 0.00 O ATOM 0 H TYR A 106 4.185 -4.227 6.333 1.00 0.00 H new ATOM 0 HA TYR A 106 5.384 -4.208 8.956 1.00 0.00 H new ATOM 0 HB2 TYR A 106 5.685 -3.046 6.190 1.00 0.00 H new ATOM 0 HB3 TYR A 106 6.411 -2.109 7.481 1.00 0.00 H new ATOM 0 HD1 TYR A 106 6.373 -5.522 5.977 1.00 0.00 H new ATOM 0 HD2 TYR A 106 8.520 -2.708 8.348 1.00 0.00 H new ATOM 0 HE1 TYR A 106 8.408 -7.028 5.933 1.00 0.00 H new ATOM 0 HE2 TYR A 106 10.549 -4.224 8.295 1.00 0.00 H new ATOM 0 HH TYR A 106 11.376 -6.079 7.594 1.00 0.00 H new