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 23 MET CE :methyl 173:sc= -0.902 (180deg=-0.477) USER MOD Set 1.2: A 79 ASN : amide:sc= -0.0931 X(o=-0.99,f=-0.73) USER MOD Set 2.1: A 26 TYR OH : rot -21:sc= 0.923 USER MOD Set 2.2: A 97 ASN : amide:sc= 0.928 K(o=1.9,f=-3.2!) 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 140:sc= 0.538 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00585) 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+ -133:sc= -0.823 (180deg=-3.43!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.787) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -57:sc= 0.255 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.332 USER MOD Single : A 96 TYR OH : rot -15:sc= -1.54 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -89:sc= 0.888 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 5.935 9.091 -5.087 1.00 0.00 N ATOM 2 CA MET A 23 5.864 7.653 -4.885 1.00 0.00 C ATOM 3 C MET A 23 6.426 7.265 -3.516 1.00 0.00 C ATOM 4 O MET A 23 7.587 7.539 -3.216 1.00 0.00 O ATOM 5 CB MET A 23 6.659 6.943 -5.982 1.00 0.00 C ATOM 6 CG MET A 23 6.473 5.426 -5.900 1.00 0.00 C ATOM 7 SD MET A 23 7.896 4.598 -6.590 1.00 0.00 S ATOM 8 CE MET A 23 7.899 5.303 -8.230 1.00 0.00 C ATOM 0 HA MET A 23 4.818 7.350 -4.928 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.335 7.300 -6.960 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.717 7.189 -5.887 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.334 5.124 -4.862 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.573 5.132 -6.441 1.00 0.00 H new ATOM 0 HE1 MET A 23 8.798 4.989 -8.760 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.019 4.961 -8.775 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.882 6.391 -8.159 1.00 0.00 H new ATOM 18 N ARG A 24 5.575 6.632 -2.720 1.00 0.00 N ATOM 19 CA ARG A 24 5.972 6.203 -1.389 1.00 0.00 C ATOM 20 C ARG A 24 6.390 4.732 -1.410 1.00 0.00 C ATOM 21 O ARG A 24 5.758 3.912 -2.076 1.00 0.00 O ATOM 22 CB ARG A 24 4.831 6.390 -0.388 1.00 0.00 C ATOM 23 CG ARG A 24 5.202 7.418 0.682 1.00 0.00 C ATOM 24 CD ARG A 24 4.681 8.808 0.313 1.00 0.00 C ATOM 25 NE ARG A 24 5.762 9.808 0.451 1.00 0.00 N ATOM 26 CZ ARG A 24 6.152 10.333 1.622 1.00 0.00 C ATOM 27 NH1 ARG A 24 5.553 9.956 2.758 1.00 0.00 N ATOM 28 NH2 ARG A 24 7.143 11.235 1.653 1.00 0.00 N ATOM 0 H ARG A 24 4.613 6.406 -2.971 1.00 0.00 H new ATOM 0 HA ARG A 24 6.816 6.819 -1.078 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.932 6.714 -0.912 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.598 5.436 0.085 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.787 7.114 1.643 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.285 7.451 0.799 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.306 8.805 -0.711 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.844 9.074 0.958 1.00 0.00 H new ATOM 0 HE ARG A 24 6.240 10.117 -0.396 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.799 9.269 2.734 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.850 10.356 3.648 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.599 11.521 0.787 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.441 11.635 2.543 1.00 0.00 H new ATOM 42 N GLU A 25 7.450 4.440 -0.671 1.00 0.00 N ATOM 43 CA GLU A 25 7.960 3.082 -0.595 1.00 0.00 C ATOM 44 C GLU A 25 7.355 2.354 0.606 1.00 0.00 C ATOM 45 O GLU A 25 6.801 2.987 1.506 1.00 0.00 O ATOM 46 CB GLU A 25 9.488 3.072 -0.531 1.00 0.00 C ATOM 47 CG GLU A 25 10.075 2.147 -1.599 1.00 0.00 C ATOM 48 CD GLU A 25 10.605 2.950 -2.789 1.00 0.00 C ATOM 49 OE1 GLU A 25 9.767 3.590 -3.460 1.00 0.00 O ATOM 50 OE2 GLU A 25 11.836 2.907 -3.000 1.00 0.00 O ATOM 0 H GLU A 25 7.970 5.122 -0.119 1.00 0.00 H new ATOM 0 HA GLU A 25 7.665 2.553 -1.501 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.868 4.084 -0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.812 2.745 0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.881 1.554 -1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.311 1.447 -1.939 1.00 0.00 H new ATOM 57 N TYR A 26 7.482 1.035 0.586 1.00 0.00 N ATOM 58 CA TYR A 26 6.955 0.216 1.664 1.00 0.00 C ATOM 59 C TYR A 26 7.566 -1.187 1.635 1.00 0.00 C ATOM 60 O TYR A 26 7.717 -1.781 0.568 1.00 0.00 O ATOM 61 CB TYR A 26 5.450 0.109 1.415 1.00 0.00 C ATOM 62 CG TYR A 26 4.667 1.372 1.779 1.00 0.00 C ATOM 63 CD1 TYR A 26 4.569 1.767 3.098 1.00 0.00 C ATOM 64 CD2 TYR A 26 4.059 2.117 0.789 1.00 0.00 C ATOM 65 CE1 TYR A 26 3.833 2.955 3.441 1.00 0.00 C ATOM 66 CE2 TYR A 26 3.323 3.306 1.132 1.00 0.00 C ATOM 67 CZ TYR A 26 3.246 3.666 2.441 1.00 0.00 C ATOM 68 OH TYR A 26 2.551 4.790 2.764 1.00 0.00 O ATOM 0 H TYR A 26 7.942 0.513 -0.160 1.00 0.00 H new ATOM 0 HA TYR A 26 7.188 0.659 2.632 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.282 -0.120 0.363 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.056 -0.729 1.990 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.045 1.184 3.873 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.135 1.808 -0.243 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.749 3.275 4.469 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.843 3.898 0.367 1.00 0.00 H new ATOM 0 HH TYR A 26 2.292 4.754 3.708 1.00 0.00 H new ATOM 78 N PRO A 27 7.911 -1.689 2.851 1.00 0.00 N ATOM 79 CA PRO A 27 8.501 -3.011 2.975 1.00 0.00 C ATOM 80 C PRO A 27 7.446 -4.103 2.783 1.00 0.00 C ATOM 81 O PRO A 27 6.251 -3.818 2.761 1.00 0.00 O ATOM 82 CB PRO A 27 9.134 -3.030 4.358 1.00 0.00 C ATOM 83 CG PRO A 27 8.478 -1.899 5.132 1.00 0.00 C ATOM 84 CD PRO A 27 7.746 -1.015 4.136 1.00 0.00 C ATOM 0 HA PRO A 27 9.248 -3.213 2.207 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.968 -3.988 4.850 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.213 -2.886 4.296 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.783 -2.296 5.872 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.228 -1.323 5.675 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.693 -0.912 4.397 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.168 -0.010 4.113 1.00 0.00 H new ATOM 92 N VAL A 28 7.929 -5.329 2.651 1.00 0.00 N ATOM 93 CA VAL A 28 7.044 -6.466 2.462 1.00 0.00 C ATOM 94 C VAL A 28 7.340 -7.520 3.531 1.00 0.00 C ATOM 95 O VAL A 28 8.487 -7.695 3.935 1.00 0.00 O ATOM 96 CB VAL A 28 7.180 -7.005 1.037 1.00 0.00 C ATOM 97 CG1 VAL A 28 8.588 -7.549 0.789 1.00 0.00 C ATOM 98 CG2 VAL A 28 6.121 -8.072 0.750 1.00 0.00 C ATOM 0 H VAL A 28 8.922 -5.560 2.671 1.00 0.00 H new ATOM 0 HA VAL A 28 6.004 -6.164 2.582 1.00 0.00 H new ATOM 0 HB VAL A 28 7.015 -6.176 0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.658 -7.926 -0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.317 -6.751 0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.794 -8.358 1.490 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.240 -8.438 -0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.240 -8.900 1.449 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.127 -7.639 0.866 1.00 0.00 H new ATOM 108 N LYS A 29 6.283 -8.196 3.958 1.00 0.00 N ATOM 109 CA LYS A 29 6.414 -9.229 4.971 1.00 0.00 C ATOM 110 C LYS A 29 6.694 -10.572 4.293 1.00 0.00 C ATOM 111 O LYS A 29 6.213 -10.825 3.189 1.00 0.00 O ATOM 112 CB LYS A 29 5.186 -9.245 5.884 1.00 0.00 C ATOM 113 CG LYS A 29 5.359 -10.256 7.019 1.00 0.00 C ATOM 114 CD LYS A 29 5.941 -9.585 8.265 1.00 0.00 C ATOM 115 CE LYS A 29 7.427 -9.273 8.077 1.00 0.00 C ATOM 116 NZ LYS A 29 8.112 -9.206 9.386 1.00 0.00 N ATOM 0 H LYS A 29 5.332 -8.048 3.620 1.00 0.00 H new ATOM 0 HA LYS A 29 7.263 -9.017 5.621 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.025 -8.250 6.300 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.299 -9.495 5.302 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.396 -10.706 7.260 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.016 -11.063 6.695 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.396 -8.664 8.474 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.809 -10.237 9.129 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.890 -10.040 7.457 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.542 -8.325 7.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.120 -8.993 9.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.681 -8.458 9.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.018 -10.120 9.874 1.00 0.00 H new ATOM 130 N LYS A 30 7.470 -11.396 4.980 1.00 0.00 N ATOM 131 CA LYS A 30 7.819 -12.706 4.458 1.00 0.00 C ATOM 132 C LYS A 30 6.604 -13.630 4.556 1.00 0.00 C ATOM 133 O LYS A 30 6.310 -14.162 5.626 1.00 0.00 O ATOM 134 CB LYS A 30 9.064 -13.250 5.162 1.00 0.00 C ATOM 135 CG LYS A 30 9.585 -14.506 4.463 1.00 0.00 C ATOM 136 CD LYS A 30 11.021 -14.816 4.889 1.00 0.00 C ATOM 137 CE LYS A 30 11.372 -16.278 4.609 1.00 0.00 C ATOM 138 NZ LYS A 30 11.360 -17.065 5.862 1.00 0.00 N ATOM 0 H LYS A 30 7.867 -11.182 5.895 1.00 0.00 H new ATOM 0 HA LYS A 30 8.083 -12.637 3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.842 -12.487 5.173 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.827 -13.480 6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.941 -15.352 4.701 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.544 -14.368 3.382 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.712 -14.164 4.355 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.142 -14.606 5.952 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.658 -16.700 3.901 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.356 -16.339 4.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.601 -18.055 5.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.058 -16.672 6.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.413 -17.022 6.290 1.00 0.00 H new ATOM 152 N GLY A 31 5.931 -13.792 3.427 1.00 0.00 N ATOM 153 CA GLY A 31 4.754 -14.643 3.372 1.00 0.00 C ATOM 154 C GLY A 31 3.552 -13.880 2.811 1.00 0.00 C ATOM 155 O GLY A 31 2.768 -14.432 2.040 1.00 0.00 O ATOM 0 H GLY A 31 6.178 -13.348 2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.959 -15.514 2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.521 -15.013 4.371 1.00 0.00 H new ATOM 159 N PHE A 32 3.444 -12.625 3.219 1.00 0.00 N ATOM 160 CA PHE A 32 2.351 -11.781 2.767 1.00 0.00 C ATOM 161 C PHE A 32 2.156 -11.902 1.254 1.00 0.00 C ATOM 162 O PHE A 32 3.012 -12.445 0.554 1.00 0.00 O ATOM 163 CB PHE A 32 2.729 -10.338 3.107 1.00 0.00 C ATOM 164 CG PHE A 32 2.103 -9.819 4.403 1.00 0.00 C ATOM 165 CD1 PHE A 32 2.180 -10.561 5.539 1.00 0.00 C ATOM 166 CD2 PHE A 32 1.469 -8.616 4.417 1.00 0.00 C ATOM 167 CE1 PHE A 32 1.599 -10.080 6.741 1.00 0.00 C ATOM 168 CE2 PHE A 32 0.888 -8.135 5.620 1.00 0.00 C ATOM 169 CZ PHE A 32 0.965 -8.877 6.757 1.00 0.00 C ATOM 0 H PHE A 32 4.096 -12.171 3.859 1.00 0.00 H new ATOM 0 HA PHE A 32 1.423 -12.083 3.252 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.814 -10.266 3.186 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.426 -9.690 2.284 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.683 -11.517 5.527 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.407 -8.027 3.514 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.660 -10.670 7.644 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.385 -7.179 5.632 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.523 -8.511 7.672 1.00 0.00 H new ATOM 179 N PRO A 33 0.996 -11.373 0.780 1.00 0.00 N ATOM 180 CA PRO A 33 0.678 -11.417 -0.637 1.00 0.00 C ATOM 181 C PRO A 33 1.503 -10.391 -1.416 1.00 0.00 C ATOM 182 O PRO A 33 1.562 -9.222 -1.040 1.00 0.00 O ATOM 183 CB PRO A 33 -0.818 -11.156 -0.713 1.00 0.00 C ATOM 184 CG PRO A 33 -1.198 -10.519 0.614 1.00 0.00 C ATOM 185 CD PRO A 33 -0.040 -10.723 1.577 1.00 0.00 C ATOM 0 HA PRO A 33 0.926 -12.375 -1.094 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.057 -10.495 -1.546 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.369 -12.083 -0.873 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.403 -9.456 0.483 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -2.107 -10.972 1.009 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.310 -9.773 1.982 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.334 -11.342 2.424 1.00 0.00 H new ATOM 193 N THR A 34 2.119 -10.865 -2.489 1.00 0.00 N ATOM 194 CA THR A 34 2.938 -10.004 -3.325 1.00 0.00 C ATOM 195 C THR A 34 2.550 -10.162 -4.796 1.00 0.00 C ATOM 196 O THR A 34 3.340 -9.856 -5.687 1.00 0.00 O ATOM 197 CB THR A 34 4.406 -10.332 -3.045 1.00 0.00 C ATOM 198 OG1 THR A 34 4.492 -11.740 -3.247 1.00 0.00 O ATOM 199 CG2 THR A 34 4.778 -10.144 -1.573 1.00 0.00 C ATOM 0 H THR A 34 2.067 -11.835 -2.799 1.00 0.00 H new ATOM 0 HA THR A 34 2.774 -8.952 -3.090 1.00 0.00 H new ATOM 0 HB THR A 34 5.043 -9.700 -3.664 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.412 -12.038 -3.088 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.830 -10.390 -1.429 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.605 -9.107 -1.284 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.164 -10.800 -0.956 1.00 0.00 H new ATOM 207 N ASP A 35 1.332 -10.640 -5.006 1.00 0.00 N ATOM 208 CA ASP A 35 0.830 -10.843 -6.353 1.00 0.00 C ATOM 209 C ASP A 35 -0.418 -9.982 -6.563 1.00 0.00 C ATOM 210 O ASP A 35 -1.232 -9.830 -5.654 1.00 0.00 O ATOM 211 CB ASP A 35 0.437 -12.304 -6.581 1.00 0.00 C ATOM 212 CG ASP A 35 1.479 -13.145 -7.323 1.00 0.00 C ATOM 213 OD1 ASP A 35 2.624 -13.197 -6.825 1.00 0.00 O ATOM 214 OD2 ASP A 35 1.106 -13.716 -8.371 1.00 0.00 O ATOM 0 H ASP A 35 0.678 -10.892 -4.265 1.00 0.00 H new ATOM 0 HA ASP A 35 1.621 -10.568 -7.051 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.240 -12.767 -5.614 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.497 -12.330 -7.143 1.00 0.00 H new ATOM 219 N TYR A 36 -0.527 -9.438 -7.766 1.00 0.00 N ATOM 220 CA TYR A 36 -1.660 -8.595 -8.106 1.00 0.00 C ATOM 221 C TYR A 36 -2.977 -9.250 -7.684 1.00 0.00 C ATOM 222 O TYR A 36 -3.755 -8.661 -6.935 1.00 0.00 O ATOM 223 CB TYR A 36 -1.641 -8.456 -9.631 1.00 0.00 C ATOM 224 CG TYR A 36 -0.780 -7.297 -10.137 1.00 0.00 C ATOM 225 CD1 TYR A 36 0.566 -7.255 -9.838 1.00 0.00 C ATOM 226 CD2 TYR A 36 -1.350 -6.295 -10.895 1.00 0.00 C ATOM 227 CE1 TYR A 36 1.377 -6.165 -10.315 1.00 0.00 C ATOM 228 CE2 TYR A 36 -0.540 -5.205 -11.373 1.00 0.00 C ATOM 229 CZ TYR A 36 0.784 -5.192 -11.059 1.00 0.00 C ATOM 230 OH TYR A 36 1.549 -4.163 -11.509 1.00 0.00 O ATOM 0 H TYR A 36 0.151 -9.565 -8.517 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.589 -7.634 -7.597 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.274 -9.385 -10.066 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.662 -8.319 -9.986 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.012 -8.040 -9.246 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.404 -6.328 -11.130 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.432 -6.121 -10.088 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.974 -4.415 -11.968 1.00 0.00 H new ATOM 0 HH TYR A 36 1.291 -3.941 -12.428 1.00 0.00 H new ATOM 240 N ASP A 37 -3.187 -10.460 -8.183 1.00 0.00 N ATOM 241 CA ASP A 37 -4.395 -11.201 -7.867 1.00 0.00 C ATOM 242 C ASP A 37 -4.516 -11.347 -6.349 1.00 0.00 C ATOM 243 O ASP A 37 -5.586 -11.123 -5.782 1.00 0.00 O ATOM 244 CB ASP A 37 -4.357 -12.603 -8.474 1.00 0.00 C ATOM 245 CG ASP A 37 -4.112 -12.646 -9.985 1.00 0.00 C ATOM 246 OD1 ASP A 37 -4.640 -11.745 -10.671 1.00 0.00 O ATOM 247 OD2 ASP A 37 -3.405 -13.581 -10.419 1.00 0.00 O ATOM 0 H ASP A 37 -2.540 -10.945 -8.804 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.243 -10.653 -8.278 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.574 -13.177 -7.977 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.302 -13.101 -8.260 1.00 0.00 H new ATOM 252 N SER A 38 -3.405 -11.723 -5.732 1.00 0.00 N ATOM 253 CA SER A 38 -3.373 -11.903 -4.290 1.00 0.00 C ATOM 254 C SER A 38 -3.829 -10.620 -3.592 1.00 0.00 C ATOM 255 O SER A 38 -4.698 -10.656 -2.724 1.00 0.00 O ATOM 256 CB SER A 38 -1.972 -12.293 -3.815 1.00 0.00 C ATOM 257 OG SER A 38 -1.762 -13.702 -3.878 1.00 0.00 O ATOM 0 H SER A 38 -2.520 -11.908 -6.204 1.00 0.00 H new ATOM 0 HA SER A 38 -4.055 -12.713 -4.032 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.227 -11.787 -4.429 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.827 -11.950 -2.791 1.00 0.00 H new ATOM 0 HG SER A 38 -0.856 -13.912 -3.569 1.00 0.00 H new ATOM 263 N ILE A 39 -3.225 -9.513 -4.001 1.00 0.00 N ATOM 264 CA ILE A 39 -3.558 -8.222 -3.428 1.00 0.00 C ATOM 265 C ILE A 39 -4.980 -7.836 -3.841 1.00 0.00 C ATOM 266 O ILE A 39 -5.699 -7.192 -3.079 1.00 0.00 O ATOM 267 CB ILE A 39 -2.504 -7.180 -3.803 1.00 0.00 C ATOM 268 CG1 ILE A 39 -1.127 -7.573 -3.268 1.00 0.00 C ATOM 269 CG2 ILE A 39 -2.922 -5.783 -3.337 1.00 0.00 C ATOM 270 CD1 ILE A 39 -0.014 -6.845 -4.025 1.00 0.00 C ATOM 0 H ILE A 39 -2.506 -9.485 -4.724 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.546 -8.275 -2.339 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.429 -7.148 -4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.065 -7.335 -2.206 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.991 -8.650 -3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.154 -5.061 -3.617 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.866 -5.510 -3.808 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.044 -5.782 -2.254 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.954 -7.143 -3.624 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.064 -7.104 -5.083 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.139 -5.768 -3.909 1.00 0.00 H new ATOM 282 N LYS A 40 -5.342 -8.248 -5.048 1.00 0.00 N ATOM 283 CA LYS A 40 -6.665 -7.953 -5.572 1.00 0.00 C ATOM 284 C LYS A 40 -7.723 -8.500 -4.613 1.00 0.00 C ATOM 285 O LYS A 40 -8.720 -7.836 -4.336 1.00 0.00 O ATOM 286 CB LYS A 40 -6.802 -8.477 -7.003 1.00 0.00 C ATOM 287 CG LYS A 40 -7.073 -7.333 -7.983 1.00 0.00 C ATOM 288 CD LYS A 40 -6.347 -7.563 -9.308 1.00 0.00 C ATOM 289 CE LYS A 40 -7.002 -8.693 -10.105 1.00 0.00 C ATOM 290 NZ LYS A 40 -6.598 -8.629 -11.527 1.00 0.00 N ATOM 0 H LYS A 40 -4.743 -8.783 -5.677 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.819 -6.876 -5.635 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.890 -8.999 -7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.614 -9.203 -7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.145 -7.249 -8.162 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.748 -6.389 -7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.357 -6.645 -9.896 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.302 -7.807 -9.116 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.716 -9.656 -9.683 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.087 -8.620 -10.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.052 -9.403 -12.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.893 -7.717 -11.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.565 -8.721 -11.599 1.00 0.00 H new ATOM 304 N ARG A 41 -7.469 -9.708 -4.130 1.00 0.00 N ATOM 305 CA ARG A 41 -8.388 -10.352 -3.207 1.00 0.00 C ATOM 306 C ARG A 41 -8.339 -9.664 -1.842 1.00 0.00 C ATOM 307 O ARG A 41 -9.344 -9.607 -1.136 1.00 0.00 O ATOM 308 CB ARG A 41 -8.047 -11.836 -3.035 1.00 0.00 C ATOM 309 CG ARG A 41 -8.736 -12.683 -4.106 1.00 0.00 C ATOM 310 CD ARG A 41 -8.016 -12.558 -5.451 1.00 0.00 C ATOM 311 NE ARG A 41 -8.603 -13.501 -6.429 1.00 0.00 N ATOM 312 CZ ARG A 41 -9.764 -13.297 -7.066 1.00 0.00 C ATOM 313 NH1 ARG A 41 -10.468 -12.182 -6.833 1.00 0.00 N ATOM 314 NH2 ARG A 41 -10.220 -14.207 -7.937 1.00 0.00 N ATOM 0 H ARG A 41 -6.641 -10.257 -4.360 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.391 -10.267 -3.625 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.968 -11.974 -3.095 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.357 -12.172 -2.045 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.753 -13.727 -3.794 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.773 -12.366 -4.214 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.098 -11.537 -5.823 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.954 -12.767 -5.325 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.092 -14.360 -6.631 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.120 -11.488 -6.171 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.352 -12.026 -7.318 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.683 -15.056 -8.116 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.104 -14.051 -8.422 1.00 0.00 H new ATOM 328 N LYS A 42 -7.159 -9.160 -1.511 1.00 0.00 N ATOM 329 CA LYS A 42 -6.965 -8.477 -0.243 1.00 0.00 C ATOM 330 C LYS A 42 -7.819 -7.208 -0.216 1.00 0.00 C ATOM 331 O LYS A 42 -8.419 -6.878 0.805 1.00 0.00 O ATOM 332 CB LYS A 42 -5.478 -8.224 0.008 1.00 0.00 C ATOM 333 CG LYS A 42 -4.926 -9.195 1.055 1.00 0.00 C ATOM 334 CD LYS A 42 -5.308 -8.753 2.468 1.00 0.00 C ATOM 335 CE LYS A 42 -4.346 -9.336 3.504 1.00 0.00 C ATOM 336 NZ LYS A 42 -4.510 -10.803 3.597 1.00 0.00 N ATOM 0 H LYS A 42 -6.327 -9.211 -2.099 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.301 -9.105 0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.924 -8.335 -0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.332 -7.198 0.345 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.312 -10.197 0.867 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.841 -9.250 0.968 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.297 -7.665 2.528 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.326 -9.074 2.691 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.319 -9.096 3.230 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.531 -8.881 4.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.886 -11.176 4.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.498 -11.028 3.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.261 -11.239 2.686 1.00 0.00 H new ATOM 350 N ILE A 43 -7.846 -6.528 -1.354 1.00 0.00 N ATOM 351 CA ILE A 43 -8.615 -5.301 -1.474 1.00 0.00 C ATOM 352 C ILE A 43 -10.095 -5.608 -1.242 1.00 0.00 C ATOM 353 O ILE A 43 -10.731 -5.001 -0.380 1.00 0.00 O ATOM 354 CB ILE A 43 -8.332 -4.621 -2.815 1.00 0.00 C ATOM 355 CG1 ILE A 43 -6.832 -4.376 -3.001 1.00 0.00 C ATOM 356 CG2 ILE A 43 -9.145 -3.333 -2.959 1.00 0.00 C ATOM 357 CD1 ILE A 43 -6.460 -4.355 -4.484 1.00 0.00 C ATOM 0 H ILE A 43 -7.348 -6.804 -2.200 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.313 -4.586 -0.709 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.649 -5.293 -3.612 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.555 -3.428 -2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.267 -5.156 -2.492 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.925 -2.870 -3.921 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.208 -3.566 -2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.881 -2.645 -2.156 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.389 -4.179 -4.588 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.716 -5.313 -4.937 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.009 -3.558 -4.986 1.00 0.00 H new ATOM 369 N SER A 44 -10.603 -6.548 -2.024 1.00 0.00 N ATOM 370 CA SER A 44 -11.996 -6.943 -1.913 1.00 0.00 C ATOM 371 C SER A 44 -12.243 -7.623 -0.564 1.00 0.00 C ATOM 372 O SER A 44 -13.317 -7.480 0.019 1.00 0.00 O ATOM 373 CB SER A 44 -12.398 -7.876 -3.058 1.00 0.00 C ATOM 374 OG SER A 44 -13.810 -7.907 -3.252 1.00 0.00 O ATOM 0 H SER A 44 -10.074 -7.048 -2.738 1.00 0.00 H new ATOM 0 HA SER A 44 -12.611 -6.045 -1.978 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.913 -7.550 -3.978 1.00 0.00 H new ATOM 0 HB3 SER A 44 -12.039 -8.883 -2.848 1.00 0.00 H new ATOM 0 HG SER A 44 -14.025 -8.512 -3.992 1.00 0.00 H new ATOM 380 N GLU A 45 -11.231 -8.347 -0.109 1.00 0.00 N ATOM 381 CA GLU A 45 -11.325 -9.048 1.161 1.00 0.00 C ATOM 382 C GLU A 45 -11.473 -8.049 2.309 1.00 0.00 C ATOM 383 O GLU A 45 -12.038 -8.376 3.352 1.00 0.00 O ATOM 384 CB GLU A 45 -10.111 -9.954 1.376 1.00 0.00 C ATOM 385 CG GLU A 45 -10.278 -11.280 0.629 1.00 0.00 C ATOM 386 CD GLU A 45 -10.614 -12.416 1.598 1.00 0.00 C ATOM 387 OE1 GLU A 45 -11.737 -12.380 2.146 1.00 0.00 O ATOM 388 OE2 GLU A 45 -9.742 -13.295 1.767 1.00 0.00 O ATOM 0 H GLU A 45 -10.343 -8.464 -0.596 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.212 -9.681 1.140 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.209 -9.448 1.030 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.980 -10.146 2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.069 -11.186 -0.115 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.360 -11.516 0.090 1.00 0.00 H new ATOM 395 N LEU A 46 -10.959 -6.850 2.080 1.00 0.00 N ATOM 396 CA LEU A 46 -11.027 -5.802 3.082 1.00 0.00 C ATOM 397 C LEU A 46 -12.319 -5.005 2.894 1.00 0.00 C ATOM 398 O LEU A 46 -12.793 -4.353 3.823 1.00 0.00 O ATOM 399 CB LEU A 46 -9.763 -4.939 3.044 1.00 0.00 C ATOM 400 CG LEU A 46 -9.864 -3.634 2.252 1.00 0.00 C ATOM 401 CD1 LEU A 46 -10.154 -2.452 3.180 1.00 0.00 C ATOM 402 CD2 LEU A 46 -8.610 -3.406 1.408 1.00 0.00 C ATOM 0 H LEU A 46 -10.493 -6.581 1.213 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.060 -6.235 4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.481 -4.698 4.069 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.953 -5.535 2.623 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.704 -3.717 1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.221 -1.536 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.098 -2.620 3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.350 -2.357 3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.708 -2.472 0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.738 -3.352 2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.489 -4.231 0.707 1.00 0.00 H new ATOM 414 N GLY A 47 -12.855 -5.083 1.685 1.00 0.00 N ATOM 415 CA GLY A 47 -14.083 -4.378 1.361 1.00 0.00 C ATOM 416 C GLY A 47 -13.817 -3.230 0.385 1.00 0.00 C ATOM 417 O GLY A 47 -14.571 -2.259 0.342 1.00 0.00 O ATOM 0 H GLY A 47 -12.460 -5.625 0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.800 -5.073 0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.533 -3.987 2.273 1.00 0.00 H new ATOM 421 N PHE A 48 -12.742 -3.379 -0.375 1.00 0.00 N ATOM 422 CA PHE A 48 -12.366 -2.368 -1.346 1.00 0.00 C ATOM 423 C PHE A 48 -12.495 -2.905 -2.775 1.00 0.00 C ATOM 424 O PHE A 48 -12.839 -4.069 -2.975 1.00 0.00 O ATOM 425 CB PHE A 48 -10.901 -2.012 -1.080 1.00 0.00 C ATOM 426 CG PHE A 48 -10.695 -1.096 0.129 1.00 0.00 C ATOM 427 CD1 PHE A 48 -11.758 -0.725 0.890 1.00 0.00 C ATOM 428 CD2 PHE A 48 -9.448 -0.656 0.441 1.00 0.00 C ATOM 429 CE1 PHE A 48 -11.567 0.124 2.013 1.00 0.00 C ATOM 430 CE2 PHE A 48 -9.256 0.194 1.564 1.00 0.00 C ATOM 431 CZ PHE A 48 -10.319 0.566 2.325 1.00 0.00 C ATOM 0 H PHE A 48 -12.119 -4.186 -0.337 1.00 0.00 H new ATOM 0 HA PHE A 48 -13.019 -1.501 -1.250 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.336 -2.931 -0.927 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.489 -1.528 -1.965 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.749 -1.076 0.641 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.603 -0.952 -0.164 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.412 0.418 2.618 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.265 0.544 1.813 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.173 1.213 3.178 1.00 0.00 H new ATOM 441 N ASP A 49 -12.214 -2.031 -3.729 1.00 0.00 N ATOM 442 CA ASP A 49 -12.295 -2.401 -5.131 1.00 0.00 C ATOM 443 C ASP A 49 -10.923 -2.215 -5.783 1.00 0.00 C ATOM 444 O ASP A 49 -10.078 -1.489 -5.263 1.00 0.00 O ATOM 445 CB ASP A 49 -13.298 -1.519 -5.878 1.00 0.00 C ATOM 446 CG ASP A 49 -14.605 -2.212 -6.264 1.00 0.00 C ATOM 447 OD1 ASP A 49 -14.636 -2.792 -7.371 1.00 0.00 O ATOM 448 OD2 ASP A 49 -15.547 -2.145 -5.443 1.00 0.00 O ATOM 0 H ASP A 49 -11.930 -1.066 -3.558 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.619 -3.440 -5.187 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.532 -0.655 -5.257 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.823 -1.141 -6.784 1.00 0.00 H new ATOM 453 N VAL A 50 -10.746 -2.882 -6.914 1.00 0.00 N ATOM 454 CA VAL A 50 -9.491 -2.799 -7.643 1.00 0.00 C ATOM 455 C VAL A 50 -9.783 -2.692 -9.141 1.00 0.00 C ATOM 456 O VAL A 50 -10.649 -3.395 -9.661 1.00 0.00 O ATOM 457 CB VAL A 50 -8.603 -3.994 -7.292 1.00 0.00 C ATOM 458 CG1 VAL A 50 -9.437 -5.261 -7.098 1.00 0.00 C ATOM 459 CG2 VAL A 50 -7.523 -4.206 -8.355 1.00 0.00 C ATOM 0 H VAL A 50 -11.450 -3.482 -7.344 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.940 -1.904 -7.354 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.105 -3.774 -6.348 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.780 -6.095 -6.849 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.150 -5.107 -6.288 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.976 -5.486 -8.018 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.906 -5.062 -8.081 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.994 -4.393 -9.320 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.899 -3.315 -8.422 1.00 0.00 H new ATOM 469 N LYS A 51 -9.045 -1.805 -9.793 1.00 0.00 N ATOM 470 CA LYS A 51 -9.214 -1.595 -11.222 1.00 0.00 C ATOM 471 C LYS A 51 -7.947 -2.045 -11.951 1.00 0.00 C ATOM 472 O LYS A 51 -6.841 -1.878 -11.441 1.00 0.00 O ATOM 473 CB LYS A 51 -9.608 -0.146 -11.508 1.00 0.00 C ATOM 474 CG LYS A 51 -10.731 0.313 -10.574 1.00 0.00 C ATOM 475 CD LYS A 51 -12.031 -0.433 -10.874 1.00 0.00 C ATOM 476 CE LYS A 51 -13.248 0.453 -10.593 1.00 0.00 C ATOM 477 NZ LYS A 51 -14.414 -0.003 -11.383 1.00 0.00 N ATOM 0 H LYS A 51 -8.329 -1.223 -9.358 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.034 -2.203 -11.603 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.740 0.502 -11.384 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.931 -0.051 -12.545 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.440 0.142 -9.538 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.888 1.386 -10.688 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.040 -0.750 -11.917 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.085 -1.336 -10.266 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.488 0.425 -9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.016 1.489 -10.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.231 0.608 -11.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.187 0.046 -12.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.644 -0.984 -11.127 1.00 0.00 H new ATOM 491 N SER A 52 -8.151 -2.605 -13.134 1.00 0.00 N ATOM 492 CA SER A 52 -7.039 -3.080 -13.940 1.00 0.00 C ATOM 493 C SER A 52 -6.702 -2.053 -15.024 1.00 0.00 C ATOM 494 O SER A 52 -7.366 -1.998 -16.058 1.00 0.00 O ATOM 495 CB SER A 52 -7.356 -4.436 -14.572 1.00 0.00 C ATOM 496 OG SER A 52 -7.417 -5.477 -13.602 1.00 0.00 O ATOM 0 H SER A 52 -9.070 -2.741 -13.554 1.00 0.00 H new ATOM 0 HA SER A 52 -6.174 -3.208 -13.289 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.308 -4.376 -15.100 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.595 -4.677 -15.314 1.00 0.00 H new ATOM 0 HG SER A 52 -7.623 -6.326 -14.046 1.00 0.00 H new ATOM 502 N GLU A 53 -5.673 -1.266 -14.750 1.00 0.00 N ATOM 503 CA GLU A 53 -5.241 -0.246 -15.688 1.00 0.00 C ATOM 504 C GLU A 53 -3.914 -0.647 -16.334 1.00 0.00 C ATOM 505 O GLU A 53 -2.895 -0.756 -15.654 1.00 0.00 O ATOM 506 CB GLU A 53 -5.128 1.118 -15.002 1.00 0.00 C ATOM 507 CG GLU A 53 -4.399 2.124 -15.897 1.00 0.00 C ATOM 508 CD GLU A 53 -4.315 3.495 -15.225 1.00 0.00 C ATOM 509 OE1 GLU A 53 -5.379 3.972 -14.774 1.00 0.00 O ATOM 510 OE2 GLU A 53 -3.189 4.035 -15.177 1.00 0.00 O ATOM 0 H GLU A 53 -5.126 -1.315 -13.891 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.993 -0.160 -16.473 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.123 1.493 -14.764 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.593 1.011 -14.058 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.395 1.760 -16.116 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.921 2.213 -16.850 1.00 0.00 H new ATOM 517 N GLY A 54 -3.968 -0.853 -17.642 1.00 0.00 N ATOM 518 CA GLY A 54 -2.783 -1.240 -18.389 1.00 0.00 C ATOM 519 C GLY A 54 -2.108 -2.459 -17.754 1.00 0.00 C ATOM 520 O GLY A 54 -2.634 -3.568 -17.821 1.00 0.00 O ATOM 0 H GLY A 54 -4.814 -0.759 -18.204 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.056 -1.467 -19.420 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.081 -0.407 -18.421 1.00 0.00 H new ATOM 524 N ASP A 55 -0.954 -2.210 -17.154 1.00 0.00 N ATOM 525 CA ASP A 55 -0.202 -3.273 -16.508 1.00 0.00 C ATOM 526 C ASP A 55 -0.003 -2.927 -15.032 1.00 0.00 C ATOM 527 O ASP A 55 0.673 -3.655 -14.305 1.00 0.00 O ATOM 528 CB ASP A 55 1.178 -3.439 -17.147 1.00 0.00 C ATOM 529 CG ASP A 55 1.373 -4.733 -17.941 1.00 0.00 C ATOM 530 OD1 ASP A 55 0.928 -5.783 -17.430 1.00 0.00 O ATOM 531 OD2 ASP A 55 1.963 -4.641 -19.039 1.00 0.00 O ATOM 0 H ASP A 55 -0.521 -1.288 -17.101 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.764 -4.200 -16.621 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.359 -2.593 -17.810 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.933 -3.395 -16.362 1.00 0.00 H new ATOM 536 N LEU A 56 -0.600 -1.814 -14.633 1.00 0.00 N ATOM 537 CA LEU A 56 -0.496 -1.362 -13.255 1.00 0.00 C ATOM 538 C LEU A 56 -1.761 -1.761 -12.495 1.00 0.00 C ATOM 539 O LEU A 56 -2.809 -1.985 -13.099 1.00 0.00 O ATOM 540 CB LEU A 56 -0.194 0.137 -13.205 1.00 0.00 C ATOM 541 CG LEU A 56 0.994 0.612 -14.045 1.00 0.00 C ATOM 542 CD1 LEU A 56 1.680 1.815 -13.395 1.00 0.00 C ATOM 543 CD2 LEU A 56 1.974 -0.534 -14.305 1.00 0.00 C ATOM 0 H LEU A 56 -1.157 -1.212 -15.239 1.00 0.00 H new ATOM 0 HA LEU A 56 0.342 -1.849 -12.756 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.083 0.677 -13.531 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.014 0.416 -12.167 1.00 0.00 H new ATOM 0 HG LEU A 56 0.617 0.941 -15.014 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.520 2.132 -14.012 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.967 2.635 -13.304 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.042 1.537 -12.405 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.809 -0.170 -14.904 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.348 -0.915 -13.355 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.464 -1.334 -14.842 1.00 0.00 H new ATOM 555 N ILE A 57 -1.624 -1.836 -11.179 1.00 0.00 N ATOM 556 CA ILE A 57 -2.744 -2.204 -10.329 1.00 0.00 C ATOM 557 C ILE A 57 -3.299 -0.948 -9.654 1.00 0.00 C ATOM 558 O ILE A 57 -2.542 -0.131 -9.136 1.00 0.00 O ATOM 559 CB ILE A 57 -2.331 -3.301 -9.344 1.00 0.00 C ATOM 560 CG1 ILE A 57 -3.426 -4.361 -9.216 1.00 0.00 C ATOM 561 CG2 ILE A 57 -1.950 -2.703 -7.988 1.00 0.00 C ATOM 562 CD1 ILE A 57 -3.171 -5.269 -8.011 1.00 0.00 C ATOM 0 H ILE A 57 -0.754 -1.648 -10.680 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.551 -2.630 -10.924 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.445 -3.799 -9.737 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.396 -3.876 -9.112 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.465 -4.960 -10.126 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.661 -3.503 -7.306 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.114 -2.015 -8.116 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.803 -2.165 -7.575 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.964 -6.014 -7.942 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.211 -5.771 -8.130 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.156 -4.670 -7.101 1.00 0.00 H new ATOM 574 N ILE A 58 -4.620 -0.836 -9.683 1.00 0.00 N ATOM 575 CA ILE A 58 -5.286 0.306 -9.081 1.00 0.00 C ATOM 576 C ILE A 58 -6.122 -0.166 -7.891 1.00 0.00 C ATOM 577 O ILE A 58 -6.933 -1.082 -8.020 1.00 0.00 O ATOM 578 CB ILE A 58 -6.092 1.072 -10.133 1.00 0.00 C ATOM 579 CG1 ILE A 58 -5.261 1.309 -11.395 1.00 0.00 C ATOM 580 CG2 ILE A 58 -6.643 2.378 -9.557 1.00 0.00 C ATOM 581 CD1 ILE A 58 -3.965 2.052 -11.068 1.00 0.00 C ATOM 0 H ILE A 58 -5.246 -1.517 -10.114 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.553 1.015 -8.695 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.947 0.460 -10.420 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.028 0.354 -11.865 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.843 1.885 -12.115 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.212 2.903 -10.325 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.294 2.157 -8.711 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.817 3.006 -9.224 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.394 2.207 -11.983 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.202 3.017 -10.620 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.374 1.462 -10.367 1.00 0.00 H new ATOM 593 N ALA A 59 -5.896 0.479 -6.756 1.00 0.00 N ATOM 594 CA ALA A 59 -6.619 0.136 -5.542 1.00 0.00 C ATOM 595 C ALA A 59 -7.675 1.208 -5.263 1.00 0.00 C ATOM 596 O ALA A 59 -7.388 2.401 -5.337 1.00 0.00 O ATOM 597 CB ALA A 59 -5.629 -0.022 -4.386 1.00 0.00 C ATOM 0 H ALA A 59 -5.222 1.238 -6.651 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.138 -0.815 -5.659 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.171 -0.279 -3.476 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.918 -0.814 -4.621 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.092 0.915 -4.236 1.00 0.00 H new ATOM 603 N SER A 60 -8.875 0.742 -4.947 1.00 0.00 N ATOM 604 CA SER A 60 -9.974 1.645 -4.655 1.00 0.00 C ATOM 605 C SER A 60 -10.203 1.721 -3.145 1.00 0.00 C ATOM 606 O SER A 60 -10.622 0.743 -2.526 1.00 0.00 O ATOM 607 CB SER A 60 -11.255 1.199 -5.364 1.00 0.00 C ATOM 608 OG SER A 60 -12.162 2.281 -5.558 1.00 0.00 O ATOM 0 H SER A 60 -9.109 -0.249 -4.887 1.00 0.00 H new ATOM 0 HA SER A 60 -9.710 2.636 -5.026 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.001 0.761 -6.329 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.741 0.419 -4.778 1.00 0.00 H new ATOM 0 HG SER A 60 -12.966 1.956 -6.015 1.00 0.00 H new ATOM 614 N ILE A 61 -9.919 2.892 -2.593 1.00 0.00 N ATOM 615 CA ILE A 61 -10.088 3.108 -1.167 1.00 0.00 C ATOM 616 C ILE A 61 -10.817 4.435 -0.940 1.00 0.00 C ATOM 617 O ILE A 61 -10.745 5.338 -1.772 1.00 0.00 O ATOM 618 CB ILE A 61 -8.742 3.016 -0.448 1.00 0.00 C ATOM 619 CG1 ILE A 61 -7.932 4.301 -0.629 1.00 0.00 C ATOM 620 CG2 ILE A 61 -7.963 1.779 -0.900 1.00 0.00 C ATOM 621 CD1 ILE A 61 -6.633 4.250 0.177 1.00 0.00 C ATOM 0 H ILE A 61 -9.573 3.701 -3.109 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.709 2.324 -0.734 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.933 2.905 0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.703 4.445 -1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.527 5.158 -0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.009 1.737 -0.374 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.541 0.883 -0.675 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.783 1.835 -1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.077 5.176 0.030 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.866 4.131 1.235 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.029 3.407 -0.159 1.00 0.00 H new ATOM 633 N PRO A 62 -11.519 4.513 0.222 1.00 0.00 N ATOM 634 CA PRO A 62 -12.260 5.715 0.569 1.00 0.00 C ATOM 635 C PRO A 62 -11.315 6.828 1.025 1.00 0.00 C ATOM 636 O PRO A 62 -10.371 6.578 1.772 1.00 0.00 O ATOM 637 CB PRO A 62 -13.231 5.278 1.654 1.00 0.00 C ATOM 638 CG PRO A 62 -12.685 3.969 2.200 1.00 0.00 C ATOM 639 CD PRO A 62 -11.627 3.465 1.232 1.00 0.00 C ATOM 0 HA PRO A 62 -12.796 6.139 -0.280 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -13.302 6.030 2.440 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -14.234 5.144 1.249 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.256 4.118 3.191 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.485 3.236 2.306 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.675 3.302 1.736 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.919 2.514 0.786 1.00 0.00 H new ATOM 647 N GLY A 63 -11.603 8.034 0.555 1.00 0.00 N ATOM 648 CA GLY A 63 -10.791 9.186 0.906 1.00 0.00 C ATOM 649 C GLY A 63 -9.783 9.503 -0.201 1.00 0.00 C ATOM 650 O GLY A 63 -9.363 10.650 -0.353 1.00 0.00 O ATOM 0 H GLY A 63 -12.387 8.237 -0.065 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.433 10.050 1.076 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.263 8.992 1.840 1.00 0.00 H new ATOM 654 N ILE A 64 -9.425 8.468 -0.945 1.00 0.00 N ATOM 655 CA ILE A 64 -8.474 8.622 -2.033 1.00 0.00 C ATOM 656 C ILE A 64 -9.209 8.491 -3.369 1.00 0.00 C ATOM 657 O ILE A 64 -10.275 7.882 -3.438 1.00 0.00 O ATOM 658 CB ILE A 64 -7.311 7.641 -1.873 1.00 0.00 C ATOM 659 CG1 ILE A 64 -6.379 8.078 -0.741 1.00 0.00 C ATOM 660 CG2 ILE A 64 -6.561 7.458 -3.194 1.00 0.00 C ATOM 661 CD1 ILE A 64 -6.786 7.433 0.585 1.00 0.00 C ATOM 0 H ILE A 64 -9.776 7.519 -0.816 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.027 9.616 -2.010 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.720 6.669 -1.598 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.353 7.802 -0.983 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.403 9.163 -0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.739 6.756 -3.052 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.244 7.069 -3.949 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.164 8.418 -3.523 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.107 7.761 1.372 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.804 7.730 0.837 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.737 6.348 0.492 1.00 0.00 H new ATOM 673 N SER A 65 -8.609 9.072 -4.397 1.00 0.00 N ATOM 674 CA SER A 65 -9.192 9.027 -5.728 1.00 0.00 C ATOM 675 C SER A 65 -8.696 7.789 -6.476 1.00 0.00 C ATOM 676 O SER A 65 -9.489 6.929 -6.854 1.00 0.00 O ATOM 677 CB SER A 65 -8.859 10.294 -6.518 1.00 0.00 C ATOM 678 OG SER A 65 -9.426 10.272 -7.825 1.00 0.00 O ATOM 0 H SER A 65 -7.725 9.577 -4.336 1.00 0.00 H new ATOM 0 HA SER A 65 -10.276 8.970 -5.625 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.228 11.166 -5.977 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.777 10.400 -6.594 1.00 0.00 H new ATOM 0 HG SER A 65 -9.192 11.099 -8.297 1.00 0.00 H new ATOM 684 N ARG A 66 -7.386 7.738 -6.667 1.00 0.00 N ATOM 685 CA ARG A 66 -6.775 6.619 -7.364 1.00 0.00 C ATOM 686 C ARG A 66 -5.317 6.456 -6.930 1.00 0.00 C ATOM 687 O ARG A 66 -4.582 7.438 -6.830 1.00 0.00 O ATOM 688 CB ARG A 66 -6.829 6.818 -8.879 1.00 0.00 C ATOM 689 CG ARG A 66 -7.886 5.912 -9.514 1.00 0.00 C ATOM 690 CD ARG A 66 -7.383 5.321 -10.833 1.00 0.00 C ATOM 691 NE ARG A 66 -7.992 6.040 -11.975 1.00 0.00 N ATOM 692 CZ ARG A 66 -9.261 5.878 -12.374 1.00 0.00 C ATOM 693 NH1 ARG A 66 -10.062 5.020 -11.727 1.00 0.00 N ATOM 694 NH2 ARG A 66 -9.728 6.572 -13.420 1.00 0.00 N ATOM 0 H ARG A 66 -6.731 8.453 -6.351 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.337 5.721 -7.107 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.055 7.860 -9.105 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.852 6.603 -9.313 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.141 5.107 -8.825 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.799 6.481 -9.691 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.297 5.395 -10.883 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.633 4.261 -10.885 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.409 6.700 -12.490 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.706 4.491 -10.931 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.028 4.896 -12.030 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.118 7.224 -13.913 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.694 6.449 -13.724 1.00 0.00 H new ATOM 708 N ILE A 67 -4.942 5.209 -6.684 1.00 0.00 N ATOM 709 CA ILE A 67 -3.585 4.905 -6.262 1.00 0.00 C ATOM 710 C ILE A 67 -3.054 3.726 -7.079 1.00 0.00 C ATOM 711 O ILE A 67 -3.829 2.901 -7.561 1.00 0.00 O ATOM 712 CB ILE A 67 -3.531 4.679 -4.751 1.00 0.00 C ATOM 713 CG1 ILE A 67 -4.640 3.726 -4.299 1.00 0.00 C ATOM 714 CG2 ILE A 67 -3.576 6.010 -3.996 1.00 0.00 C ATOM 715 CD1 ILE A 67 -5.873 4.503 -3.831 1.00 0.00 C ATOM 0 H ILE A 67 -5.554 4.398 -6.769 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.927 5.752 -6.458 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.580 4.204 -4.510 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.913 3.064 -5.121 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.274 3.095 -3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.536 5.821 -2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.724 6.623 -4.288 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.500 6.535 -4.238 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.646 3.803 -3.515 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.602 5.146 -2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.250 5.115 -4.651 1.00 0.00 H new ATOM 727 N GLU A 68 -1.736 3.685 -7.213 1.00 0.00 N ATOM 728 CA GLU A 68 -1.093 2.620 -7.963 1.00 0.00 C ATOM 729 C GLU A 68 -0.216 1.773 -7.039 1.00 0.00 C ATOM 730 O GLU A 68 0.496 2.309 -6.190 1.00 0.00 O ATOM 731 CB GLU A 68 -0.275 3.187 -9.127 1.00 0.00 C ATOM 732 CG GLU A 68 -1.019 3.017 -10.453 1.00 0.00 C ATOM 733 CD GLU A 68 -0.370 3.856 -11.557 1.00 0.00 C ATOM 734 OE1 GLU A 68 0.331 4.825 -11.195 1.00 0.00 O ATOM 735 OE2 GLU A 68 -0.591 3.508 -12.736 1.00 0.00 O ATOM 0 H GLU A 68 -1.096 4.372 -6.815 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.868 1.979 -8.383 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.072 4.244 -8.953 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.689 2.681 -9.179 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.019 1.966 -10.742 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.061 3.314 -10.330 1.00 0.00 H new ATOM 742 N ILE A 69 -0.296 0.465 -7.234 1.00 0.00 N ATOM 743 CA ILE A 69 0.480 -0.460 -6.428 1.00 0.00 C ATOM 744 C ILE A 69 1.387 -1.288 -7.341 1.00 0.00 C ATOM 745 O ILE A 69 0.997 -1.645 -8.452 1.00 0.00 O ATOM 746 CB ILE A 69 -0.440 -1.307 -5.546 1.00 0.00 C ATOM 747 CG1 ILE A 69 -1.870 -0.761 -5.565 1.00 0.00 C ATOM 748 CG2 ILE A 69 0.113 -1.416 -4.123 1.00 0.00 C ATOM 749 CD1 ILE A 69 -1.969 0.549 -4.781 1.00 0.00 C ATOM 0 H ILE A 69 -0.887 0.024 -7.939 1.00 0.00 H new ATOM 0 HA ILE A 69 1.128 0.086 -5.742 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.474 -2.316 -5.956 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.186 -0.597 -6.595 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.550 -1.497 -5.136 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.560 -2.023 -3.517 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.098 -1.883 -4.150 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.195 -0.420 -3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.996 0.914 -4.811 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.675 0.376 -3.746 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.307 1.291 -5.227 1.00 0.00 H new ATOM 761 N LYS A 70 2.582 -1.569 -6.840 1.00 0.00 N ATOM 762 CA LYS A 70 3.547 -2.346 -7.596 1.00 0.00 C ATOM 763 C LYS A 70 4.228 -3.351 -6.665 1.00 0.00 C ATOM 764 O LYS A 70 5.233 -3.033 -6.032 1.00 0.00 O ATOM 765 CB LYS A 70 4.524 -1.424 -8.326 1.00 0.00 C ATOM 766 CG LYS A 70 4.110 -1.231 -9.786 1.00 0.00 C ATOM 767 CD LYS A 70 3.168 -0.035 -9.935 1.00 0.00 C ATOM 768 CE LYS A 70 3.920 1.283 -9.738 1.00 0.00 C ATOM 769 NZ LYS A 70 3.008 2.434 -9.933 1.00 0.00 N ATOM 0 H LYS A 70 2.903 -1.271 -5.919 1.00 0.00 H new ATOM 0 HA LYS A 70 3.046 -2.921 -8.375 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.561 -0.457 -7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.529 -1.845 -8.282 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.996 -1.079 -10.402 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.619 -2.133 -10.151 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.708 -0.051 -10.923 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.361 -0.110 -9.206 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.350 1.317 -8.737 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.749 1.345 -10.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.462 3.136 -10.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.124 2.106 -10.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.797 2.870 -9.012 1.00 0.00 H new ATOM 783 N PRO A 71 3.638 -4.576 -6.610 1.00 0.00 N ATOM 784 CA PRO A 71 4.178 -5.629 -5.766 1.00 0.00 C ATOM 785 C PRO A 71 5.443 -6.228 -6.380 1.00 0.00 C ATOM 786 O PRO A 71 5.505 -6.453 -7.588 1.00 0.00 O ATOM 787 CB PRO A 71 3.049 -6.638 -5.628 1.00 0.00 C ATOM 788 CG PRO A 71 2.086 -6.346 -6.767 1.00 0.00 C ATOM 789 CD PRO A 71 2.447 -4.988 -7.345 1.00 0.00 C ATOM 0 HA PRO A 71 4.492 -5.266 -4.788 1.00 0.00 H new ATOM 0 HB2 PRO A 71 3.428 -7.658 -5.689 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.553 -6.539 -4.662 1.00 0.00 H new ATOM 0 HG2 PRO A 71 2.156 -7.118 -7.533 1.00 0.00 H new ATOM 0 HG3 PRO A 71 1.057 -6.346 -6.407 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.645 -5.053 -8.415 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.634 -4.273 -7.214 1.00 0.00 H new ATOM 797 N ASP A 72 6.422 -6.470 -5.521 1.00 0.00 N ATOM 798 CA ASP A 72 7.684 -7.040 -5.964 1.00 0.00 C ATOM 799 C ASP A 72 8.199 -8.014 -4.902 1.00 0.00 C ATOM 800 O ASP A 72 7.955 -7.826 -3.712 1.00 0.00 O ATOM 801 CB ASP A 72 8.741 -5.951 -6.159 1.00 0.00 C ATOM 802 CG ASP A 72 9.468 -5.989 -7.505 1.00 0.00 C ATOM 803 OD1 ASP A 72 9.553 -7.099 -8.072 1.00 0.00 O ATOM 804 OD2 ASP A 72 9.920 -4.907 -7.936 1.00 0.00 O ATOM 0 H ASP A 72 6.367 -6.282 -4.520 1.00 0.00 H new ATOM 0 HA ASP A 72 7.511 -7.549 -6.912 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.263 -4.978 -6.049 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.479 -6.036 -5.362 1.00 0.00 H new ATOM 809 N LYS A 73 8.902 -9.035 -5.372 1.00 0.00 N ATOM 810 CA LYS A 73 9.454 -10.038 -4.479 1.00 0.00 C ATOM 811 C LYS A 73 10.475 -9.382 -3.549 1.00 0.00 C ATOM 812 O LYS A 73 10.819 -9.937 -2.507 1.00 0.00 O ATOM 813 CB LYS A 73 10.016 -11.215 -5.278 1.00 0.00 C ATOM 814 CG LYS A 73 11.022 -10.735 -6.327 1.00 0.00 C ATOM 815 CD LYS A 73 12.228 -11.673 -6.401 1.00 0.00 C ATOM 816 CE LYS A 73 13.477 -10.924 -6.869 1.00 0.00 C ATOM 817 NZ LYS A 73 14.650 -11.828 -6.880 1.00 0.00 N ATOM 0 H LYS A 73 9.101 -9.188 -6.360 1.00 0.00 H new ATOM 0 HA LYS A 73 8.671 -10.457 -3.847 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.499 -11.921 -4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.201 -11.749 -5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.538 -10.682 -7.302 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.356 -9.727 -6.081 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.410 -12.115 -5.421 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.014 -12.493 -7.086 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.313 -10.519 -7.868 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.669 -10.077 -6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.489 -11.304 -7.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.815 -12.194 -5.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.470 -12.622 -7.527 1.00 0.00 H new ATOM 831 N ARG A 74 10.933 -8.208 -3.959 1.00 0.00 N ATOM 832 CA ARG A 74 11.908 -7.469 -3.176 1.00 0.00 C ATOM 833 C ARG A 74 11.201 -6.532 -2.195 1.00 0.00 C ATOM 834 O ARG A 74 11.304 -6.707 -0.981 1.00 0.00 O ATOM 835 CB ARG A 74 12.833 -6.648 -4.079 1.00 0.00 C ATOM 836 CG ARG A 74 14.280 -6.720 -3.591 1.00 0.00 C ATOM 837 CD ARG A 74 15.166 -5.732 -4.354 1.00 0.00 C ATOM 838 NE ARG A 74 16.592 -6.011 -4.076 1.00 0.00 N ATOM 839 CZ ARG A 74 17.607 -5.258 -4.523 1.00 0.00 C ATOM 840 NH1 ARG A 74 17.356 -4.178 -5.276 1.00 0.00 N ATOM 841 NH2 ARG A 74 18.869 -5.587 -4.220 1.00 0.00 N ATOM 0 H ARG A 74 10.646 -7.750 -4.824 1.00 0.00 H new ATOM 0 HA ARG A 74 12.507 -8.193 -2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 74 12.772 -7.019 -5.102 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.502 -5.609 -4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.319 -6.500 -2.524 1.00 0.00 H new ATOM 0 HG3 ARG A 74 14.662 -7.733 -3.722 1.00 0.00 H new ATOM 0 HD2 ARG A 74 14.974 -5.810 -5.424 1.00 0.00 H new ATOM 0 HD3 ARG A 74 14.923 -4.711 -4.060 1.00 0.00 H new ATOM 0 HE ARG A 74 16.817 -6.828 -3.508 1.00 0.00 H new ATOM 0 HH11 ARG A 74 16.394 -3.930 -5.508 1.00 0.00 H new ATOM 0 HH12 ARG A 74 18.127 -3.604 -5.617 1.00 0.00 H new ATOM 0 HH21 ARG A 74 19.058 -6.411 -3.649 1.00 0.00 H new ATOM 0 HH22 ARG A 74 19.641 -5.014 -4.560 1.00 0.00 H new ATOM 855 N LYS A 75 10.501 -5.557 -2.757 1.00 0.00 N ATOM 856 CA LYS A 75 9.778 -4.592 -1.946 1.00 0.00 C ATOM 857 C LYS A 75 8.543 -4.113 -2.713 1.00 0.00 C ATOM 858 O LYS A 75 8.251 -4.610 -3.798 1.00 0.00 O ATOM 859 CB LYS A 75 10.706 -3.459 -1.505 1.00 0.00 C ATOM 860 CG LYS A 75 11.466 -2.876 -2.699 1.00 0.00 C ATOM 861 CD LYS A 75 12.977 -3.020 -2.512 1.00 0.00 C ATOM 862 CE LYS A 75 13.727 -1.871 -3.189 1.00 0.00 C ATOM 863 NZ LYS A 75 13.940 -2.165 -4.623 1.00 0.00 N ATOM 0 H LYS A 75 10.419 -5.415 -3.764 1.00 0.00 H new ATOM 0 HA LYS A 75 9.423 -5.057 -1.026 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.124 -2.674 -1.022 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.415 -3.832 -0.765 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.159 -3.385 -3.613 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.210 -1.823 -2.819 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.215 -3.037 -1.448 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.309 -3.971 -2.929 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.161 -0.946 -3.082 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.687 -1.716 -2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.962 -1.275 -5.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.844 -2.665 -4.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.164 -2.762 -4.974 1.00 0.00 H new ATOM 877 N ILE A 76 7.852 -3.152 -2.117 1.00 0.00 N ATOM 878 CA ILE A 76 6.657 -2.600 -2.729 1.00 0.00 C ATOM 879 C ILE A 76 6.721 -1.072 -2.677 1.00 0.00 C ATOM 880 O ILE A 76 7.329 -0.504 -1.771 1.00 0.00 O ATOM 881 CB ILE A 76 5.402 -3.184 -2.078 1.00 0.00 C ATOM 882 CG1 ILE A 76 4.954 -2.334 -0.889 1.00 0.00 C ATOM 883 CG2 ILE A 76 5.619 -4.648 -1.686 1.00 0.00 C ATOM 884 CD1 ILE A 76 3.625 -2.840 -0.321 1.00 0.00 C ATOM 0 H ILE A 76 8.098 -2.742 -1.216 1.00 0.00 H new ATOM 0 HA ILE A 76 6.604 -2.882 -3.780 1.00 0.00 H new ATOM 0 HB ILE A 76 4.596 -3.162 -2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.718 -2.358 -0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.848 -1.295 -1.200 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.712 -5.040 -1.225 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.855 -5.232 -2.576 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.444 -4.716 -0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.330 -2.217 0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.857 -2.792 -1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.741 -3.872 0.012 1.00 0.00 H new ATOM 896 N LEU A 77 6.086 -0.451 -3.658 1.00 0.00 N ATOM 897 CA LEU A 77 6.063 1.001 -3.736 1.00 0.00 C ATOM 898 C LEU A 77 4.647 1.466 -4.078 1.00 0.00 C ATOM 899 O LEU A 77 3.862 0.712 -4.648 1.00 0.00 O ATOM 900 CB LEU A 77 7.128 1.502 -4.714 1.00 0.00 C ATOM 901 CG LEU A 77 7.704 0.457 -5.671 1.00 0.00 C ATOM 902 CD1 LEU A 77 8.554 -0.568 -4.917 1.00 0.00 C ATOM 903 CD2 LEU A 77 6.594 -0.209 -6.489 1.00 0.00 C ATOM 0 H LEU A 77 5.582 -0.926 -4.407 1.00 0.00 H new ATOM 0 HA LEU A 77 6.319 1.439 -2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.698 2.310 -5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.949 1.930 -4.139 1.00 0.00 H new ATOM 0 HG LEU A 77 8.362 0.965 -6.375 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.951 -1.299 -5.621 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.379 -0.060 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.938 -1.076 -4.175 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.031 -0.948 -7.161 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.892 -0.701 -5.816 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.069 0.547 -7.073 1.00 0.00 H new ATOM 915 N VAL A 78 4.363 2.708 -3.713 1.00 0.00 N ATOM 916 CA VAL A 78 3.054 3.284 -3.974 1.00 0.00 C ATOM 917 C VAL A 78 3.224 4.604 -4.729 1.00 0.00 C ATOM 918 O VAL A 78 4.169 5.350 -4.478 1.00 0.00 O ATOM 919 CB VAL A 78 2.282 3.440 -2.663 1.00 0.00 C ATOM 920 CG1 VAL A 78 2.343 2.157 -1.834 1.00 0.00 C ATOM 921 CG2 VAL A 78 2.799 4.636 -1.860 1.00 0.00 C ATOM 0 H VAL A 78 5.017 3.331 -3.239 1.00 0.00 H new ATOM 0 HA VAL A 78 2.464 2.622 -4.607 1.00 0.00 H new ATOM 0 HB VAL A 78 1.238 3.629 -2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.786 2.296 -0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.905 1.336 -2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.382 1.923 -1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.233 4.724 -0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.854 4.490 -1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.679 5.547 -2.446 1.00 0.00 H new ATOM 931 N ASN A 79 2.294 4.853 -5.639 1.00 0.00 N ATOM 932 CA ASN A 79 2.328 6.068 -6.433 1.00 0.00 C ATOM 933 C ASN A 79 0.918 6.653 -6.523 1.00 0.00 C ATOM 934 O ASN A 79 0.039 6.067 -7.156 1.00 0.00 O ATOM 935 CB ASN A 79 2.815 5.784 -7.855 1.00 0.00 C ATOM 936 CG ASN A 79 3.840 6.828 -8.302 1.00 0.00 C ATOM 937 OD1 ASN A 79 3.756 8.000 -7.971 1.00 0.00 O ATOM 938 ND2 ASN A 79 4.809 6.341 -9.073 1.00 0.00 N ATOM 0 H ASN A 79 1.511 4.232 -5.844 1.00 0.00 H new ATOM 0 HA ASN A 79 3.012 6.766 -5.951 1.00 0.00 H new ATOM 0 HB2 ASN A 79 3.260 4.790 -7.899 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.967 5.784 -8.540 1.00 0.00 H new ATOM 0 HD21 ASN A 79 5.540 6.959 -9.424 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.820 5.350 -9.313 1.00 0.00 H new ATOM 945 N THR A 80 0.745 7.801 -5.885 1.00 0.00 N ATOM 946 CA THR A 80 -0.545 8.471 -5.886 1.00 0.00 C ATOM 947 C THR A 80 -0.602 9.516 -7.002 1.00 0.00 C ATOM 948 O THR A 80 0.420 9.844 -7.603 1.00 0.00 O ATOM 949 CB THR A 80 -0.774 9.057 -4.491 1.00 0.00 C ATOM 950 OG1 THR A 80 0.086 10.194 -4.447 1.00 0.00 O ATOM 951 CG2 THR A 80 -0.246 8.148 -3.379 1.00 0.00 C ATOM 0 H THR A 80 1.476 8.285 -5.364 1.00 0.00 H new ATOM 0 HA THR A 80 -1.354 7.772 -6.097 1.00 0.00 H new ATOM 0 HB THR A 80 -1.839 9.232 -4.341 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.000 10.636 -3.577 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.434 8.611 -2.410 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.753 7.184 -3.425 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.826 8.000 -3.508 1.00 0.00 H new ATOM 959 N GLY A 81 -1.807 10.009 -7.245 1.00 0.00 N ATOM 960 CA GLY A 81 -2.010 11.010 -8.278 1.00 0.00 C ATOM 961 C GLY A 81 -2.678 12.262 -7.706 1.00 0.00 C ATOM 962 O GLY A 81 -2.033 13.298 -7.551 1.00 0.00 O ATOM 0 H GLY A 81 -2.652 9.734 -6.745 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.052 11.277 -8.724 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.628 10.595 -9.074 1.00 0.00 H new ATOM 966 N ASP A 82 -3.961 12.125 -7.406 1.00 0.00 N ATOM 967 CA ASP A 82 -4.723 13.232 -6.852 1.00 0.00 C ATOM 968 C ASP A 82 -5.559 12.731 -5.673 1.00 0.00 C ATOM 969 O ASP A 82 -6.212 11.693 -5.768 1.00 0.00 O ATOM 970 CB ASP A 82 -5.678 13.818 -7.895 1.00 0.00 C ATOM 971 CG ASP A 82 -5.937 15.319 -7.762 1.00 0.00 C ATOM 972 OD1 ASP A 82 -4.957 16.079 -7.908 1.00 0.00 O ATOM 973 OD2 ASP A 82 -7.111 15.673 -7.517 1.00 0.00 O ATOM 0 H ASP A 82 -4.493 11.264 -7.536 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.019 14.001 -6.534 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.273 13.621 -8.888 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.631 13.293 -7.829 1.00 0.00 H new ATOM 978 N TYR A 83 -5.513 13.493 -4.590 1.00 0.00 N ATOM 979 CA TYR A 83 -6.257 13.139 -3.394 1.00 0.00 C ATOM 980 C TYR A 83 -7.578 13.910 -3.322 1.00 0.00 C ATOM 981 O TYR A 83 -7.739 14.934 -3.985 1.00 0.00 O ATOM 982 CB TYR A 83 -5.377 13.549 -2.212 1.00 0.00 C ATOM 983 CG TYR A 83 -4.763 12.371 -1.454 1.00 0.00 C ATOM 984 CD1 TYR A 83 -3.941 11.479 -2.113 1.00 0.00 C ATOM 985 CD2 TYR A 83 -5.032 12.198 -0.112 1.00 0.00 C ATOM 986 CE1 TYR A 83 -3.364 10.369 -1.401 1.00 0.00 C ATOM 987 CE2 TYR A 83 -4.455 11.088 0.601 1.00 0.00 C ATOM 988 CZ TYR A 83 -3.649 10.228 -0.078 1.00 0.00 C ATOM 989 OH TYR A 83 -3.104 9.180 0.596 1.00 0.00 O ATOM 0 H TYR A 83 -4.972 14.354 -4.516 1.00 0.00 H new ATOM 0 HA TYR A 83 -6.493 12.075 -3.390 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.575 14.191 -2.575 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.972 14.143 -1.519 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -3.731 11.614 -3.164 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -5.675 12.895 0.404 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -2.720 9.664 -1.905 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -4.658 10.942 1.652 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.359 8.341 0.158 1.00 0.00 H new ATOM 1044 N ASP A 88 -10.238 15.459 4.075 1.00 0.00 N ATOM 1045 CA ASP A 88 -8.976 15.859 4.671 1.00 0.00 C ATOM 1046 C ASP A 88 -7.882 14.876 4.248 1.00 0.00 C ATOM 1047 O ASP A 88 -7.858 13.735 4.708 1.00 0.00 O ATOM 1048 CB ASP A 88 -9.058 15.846 6.199 1.00 0.00 C ATOM 1049 CG ASP A 88 -9.381 17.197 6.841 1.00 0.00 C ATOM 1050 OD1 ASP A 88 -8.636 18.156 6.548 1.00 0.00 O ATOM 1051 OD2 ASP A 88 -10.365 17.239 7.610 1.00 0.00 O ATOM 0 HA ASP A 88 -8.749 16.869 4.331 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.819 15.126 6.501 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.107 15.490 6.596 1.00 0.00 H new ATOM 1056 N LYS A 89 -7.005 15.355 3.378 1.00 0.00 N ATOM 1057 CA LYS A 89 -5.912 14.533 2.888 1.00 0.00 C ATOM 1058 C LYS A 89 -5.217 13.859 4.073 1.00 0.00 C ATOM 1059 O LYS A 89 -4.927 12.664 4.030 1.00 0.00 O ATOM 1060 CB LYS A 89 -4.969 15.360 2.011 1.00 0.00 C ATOM 1061 CG LYS A 89 -5.732 16.020 0.861 1.00 0.00 C ATOM 1062 CD LYS A 89 -4.766 16.601 -0.174 1.00 0.00 C ATOM 1063 CE LYS A 89 -5.456 17.663 -1.034 1.00 0.00 C ATOM 1064 NZ LYS A 89 -5.945 17.070 -2.298 1.00 0.00 N ATOM 0 H LYS A 89 -7.029 16.302 3.000 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.291 13.739 2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.481 16.125 2.615 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.183 14.720 1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.384 15.288 0.385 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.372 16.811 1.251 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -3.906 17.040 0.332 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -4.387 15.802 -0.811 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.290 18.099 -0.484 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -4.759 18.472 -1.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.410 17.804 -2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.143 16.675 -2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.626 16.313 -2.086 1.00 0.00 H new ATOM 1078 N LEU A 90 -4.968 14.654 5.103 1.00 0.00 N ATOM 1079 CA LEU A 90 -4.310 14.149 6.296 1.00 0.00 C ATOM 1080 C LEU A 90 -5.224 13.133 6.985 1.00 0.00 C ATOM 1081 O LEU A 90 -4.748 12.232 7.674 1.00 0.00 O ATOM 1082 CB LEU A 90 -3.885 15.307 7.203 1.00 0.00 C ATOM 1083 CG LEU A 90 -5.015 16.037 7.933 1.00 0.00 C ATOM 1084 CD1 LEU A 90 -5.325 15.369 9.274 1.00 0.00 C ATOM 1085 CD2 LEU A 90 -4.692 17.524 8.094 1.00 0.00 C ATOM 0 H LEU A 90 -5.210 15.644 5.136 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.391 13.625 6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.187 14.922 7.947 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.340 16.033 6.600 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.916 15.967 7.324 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.131 15.908 9.771 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.630 14.336 9.104 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.435 15.386 9.903 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.511 18.020 8.616 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.774 17.637 8.670 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.561 17.976 7.111 1.00 0.00 H new ATOM 1097 N ALA A 91 -6.520 13.310 6.772 1.00 0.00 N ATOM 1098 CA ALA A 91 -7.504 12.419 7.363 1.00 0.00 C ATOM 1099 C ALA A 91 -7.514 11.095 6.595 1.00 0.00 C ATOM 1100 O ALA A 91 -7.414 10.025 7.192 1.00 0.00 O ATOM 1101 CB ALA A 91 -8.873 13.100 7.368 1.00 0.00 C ATOM 0 H ALA A 91 -6.911 14.057 6.198 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.247 12.197 8.399 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.611 12.431 7.811 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.820 14.019 7.951 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.166 13.336 6.345 1.00 0.00 H new ATOM 1107 N VAL A 92 -7.635 11.212 5.280 1.00 0.00 N ATOM 1108 CA VAL A 92 -7.659 10.040 4.422 1.00 0.00 C ATOM 1109 C VAL A 92 -6.276 9.387 4.420 1.00 0.00 C ATOM 1110 O VAL A 92 -6.144 8.203 4.109 1.00 0.00 O ATOM 1111 CB VAL A 92 -8.142 10.424 3.023 1.00 0.00 C ATOM 1112 CG1 VAL A 92 -9.419 11.263 3.095 1.00 0.00 C ATOM 1113 CG2 VAL A 92 -7.046 11.157 2.247 1.00 0.00 C ATOM 0 H VAL A 92 -7.717 12.102 4.788 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.366 9.303 4.803 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.376 9.505 2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -9.741 11.523 2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.203 10.690 3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.224 12.175 3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.415 11.419 1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.767 12.065 2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.174 10.510 2.150 1.00 0.00 H new ATOM 1123 N VAL A 93 -5.278 10.186 4.770 1.00 0.00 N ATOM 1124 CA VAL A 93 -3.910 9.701 4.811 1.00 0.00 C ATOM 1125 C VAL A 93 -3.827 8.504 5.761 1.00 0.00 C ATOM 1126 O VAL A 93 -3.146 7.522 5.468 1.00 0.00 O ATOM 1127 CB VAL A 93 -2.962 10.838 5.199 1.00 0.00 C ATOM 1128 CG1 VAL A 93 -1.738 10.303 5.942 1.00 0.00 C ATOM 1129 CG2 VAL A 93 -2.547 11.648 3.970 1.00 0.00 C ATOM 0 H VAL A 93 -5.391 11.166 5.028 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.597 9.357 3.825 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.498 11.505 5.875 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.081 11.132 6.206 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.058 9.791 6.849 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.200 9.604 5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.874 12.450 4.273 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.039 10.996 3.259 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.433 12.076 3.500 1.00 0.00 H new ATOM 1139 N ARG A 94 -4.527 8.625 6.878 1.00 0.00 N ATOM 1140 CA ARG A 94 -4.541 7.565 7.873 1.00 0.00 C ATOM 1141 C ARG A 94 -5.197 6.308 7.299 1.00 0.00 C ATOM 1142 O ARG A 94 -4.897 5.195 7.729 1.00 0.00 O ATOM 1143 CB ARG A 94 -5.297 7.999 9.130 1.00 0.00 C ATOM 1144 CG ARG A 94 -6.795 7.716 8.993 1.00 0.00 C ATOM 1145 CD ARG A 94 -7.112 6.261 9.345 1.00 0.00 C ATOM 1146 NE ARG A 94 -7.863 6.202 10.619 1.00 0.00 N ATOM 1147 CZ ARG A 94 -9.148 6.560 10.751 1.00 0.00 C ATOM 1148 NH1 ARG A 94 -9.832 7.006 9.688 1.00 0.00 N ATOM 1149 NH2 ARG A 94 -9.748 6.474 11.946 1.00 0.00 N ATOM 0 H ARG A 94 -5.090 9.441 7.117 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.507 7.349 8.142 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -4.901 7.471 9.997 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -5.139 9.063 9.305 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.356 8.383 9.648 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.117 7.926 7.973 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.697 5.804 8.547 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.188 5.689 9.431 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.372 5.868 11.448 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.375 7.073 8.779 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.810 7.278 9.788 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.227 6.136 12.755 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.726 6.746 12.047 1.00 0.00 H new ATOM 1163 N THR A 95 -6.080 6.527 6.335 1.00 0.00 N ATOM 1164 CA THR A 95 -6.781 5.425 5.699 1.00 0.00 C ATOM 1165 C THR A 95 -5.953 4.866 4.538 1.00 0.00 C ATOM 1166 O THR A 95 -6.032 3.677 4.233 1.00 0.00 O ATOM 1167 CB THR A 95 -8.162 5.926 5.273 1.00 0.00 C ATOM 1168 OG1 THR A 95 -8.882 6.042 6.497 1.00 0.00 O ATOM 1169 CG2 THR A 95 -8.947 4.880 4.478 1.00 0.00 C ATOM 0 H THR A 95 -6.326 7.451 5.979 1.00 0.00 H new ATOM 0 HA THR A 95 -6.920 4.593 6.390 1.00 0.00 H new ATOM 0 HB THR A 95 -8.050 6.829 4.673 1.00 0.00 H new ATOM 0 HG1 THR A 95 -9.789 6.363 6.314 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.919 5.288 4.201 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.393 4.617 3.577 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.088 3.989 5.090 1.00 0.00 H new ATOM 1177 N TYR A 96 -5.180 5.750 3.925 1.00 0.00 N ATOM 1178 CA TYR A 96 -4.340 5.360 2.807 1.00 0.00 C ATOM 1179 C TYR A 96 -3.246 4.388 3.255 1.00 0.00 C ATOM 1180 O TYR A 96 -3.051 3.341 2.641 1.00 0.00 O ATOM 1181 CB TYR A 96 -3.685 6.648 2.301 1.00 0.00 C ATOM 1182 CG TYR A 96 -2.645 6.427 1.202 1.00 0.00 C ATOM 1183 CD1 TYR A 96 -3.022 5.874 -0.005 1.00 0.00 C ATOM 1184 CD2 TYR A 96 -1.327 6.779 1.419 1.00 0.00 C ATOM 1185 CE1 TYR A 96 -2.042 5.666 -1.039 1.00 0.00 C ATOM 1186 CE2 TYR A 96 -0.348 6.572 0.384 1.00 0.00 C ATOM 1187 CZ TYR A 96 -0.754 6.025 -0.794 1.00 0.00 C ATOM 1188 OH TYR A 96 0.172 5.829 -1.771 1.00 0.00 O ATOM 0 H TYR A 96 -5.118 6.735 4.182 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.932 4.862 2.039 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.461 7.314 1.924 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.209 7.156 3.140 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.052 5.597 -0.174 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -1.031 7.209 2.364 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.324 5.234 -1.988 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.685 6.845 0.539 1.00 0.00 H new ATOM 0 HH TYR A 96 -0.193 5.224 -2.451 1.00 0.00 H new ATOM 1198 N ASN A 97 -2.561 4.770 4.323 1.00 0.00 N ATOM 1199 CA ASN A 97 -1.493 3.946 4.861 1.00 0.00 C ATOM 1200 C ASN A 97 -2.090 2.672 5.462 1.00 0.00 C ATOM 1201 O ASN A 97 -1.509 1.594 5.347 1.00 0.00 O ATOM 1202 CB ASN A 97 -0.734 4.681 5.967 1.00 0.00 C ATOM 1203 CG ASN A 97 0.523 5.357 5.414 1.00 0.00 C ATOM 1204 OD1 ASN A 97 1.411 4.724 4.869 1.00 0.00 O ATOM 1205 ND2 ASN A 97 0.547 6.676 5.586 1.00 0.00 N ATOM 0 H ASN A 97 -2.725 5.640 4.830 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.806 3.711 4.048 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.383 5.429 6.423 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.457 3.978 6.752 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.343 7.219 5.253 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.231 7.144 6.051 1.00 0.00 H new ATOM 1212 N ASP A 98 -3.245 2.839 6.092 1.00 0.00 N ATOM 1213 CA ASP A 98 -3.927 1.716 6.713 1.00 0.00 C ATOM 1214 C ASP A 98 -4.091 0.594 5.686 1.00 0.00 C ATOM 1215 O ASP A 98 -3.913 -0.579 6.010 1.00 0.00 O ATOM 1216 CB ASP A 98 -5.320 2.119 7.198 1.00 0.00 C ATOM 1217 CG ASP A 98 -6.046 1.061 8.030 1.00 0.00 C ATOM 1218 OD1 ASP A 98 -6.737 0.224 7.408 1.00 0.00 O ATOM 1219 OD2 ASP A 98 -5.894 1.111 9.270 1.00 0.00 O ATOM 0 H ASP A 98 -3.725 3.734 6.185 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.330 1.386 7.563 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.232 3.029 7.791 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.934 2.362 6.331 1.00 0.00 H new ATOM 1224 N PHE A 99 -4.427 0.993 4.467 1.00 0.00 N ATOM 1225 CA PHE A 99 -4.616 0.035 3.392 1.00 0.00 C ATOM 1226 C PHE A 99 -3.289 -0.623 3.004 1.00 0.00 C ATOM 1227 O PHE A 99 -3.247 -1.818 2.716 1.00 0.00 O ATOM 1228 CB PHE A 99 -5.156 0.813 2.190 1.00 0.00 C ATOM 1229 CG PHE A 99 -5.043 0.062 0.862 1.00 0.00 C ATOM 1230 CD1 PHE A 99 -3.905 0.152 0.123 1.00 0.00 C ATOM 1231 CD2 PHE A 99 -6.085 -0.694 0.418 1.00 0.00 C ATOM 1232 CE1 PHE A 99 -3.802 -0.546 -1.110 1.00 0.00 C ATOM 1233 CE2 PHE A 99 -5.981 -1.391 -0.814 1.00 0.00 C ATOM 1234 CZ PHE A 99 -4.843 -1.301 -1.553 1.00 0.00 C ATOM 0 H PHE A 99 -4.573 1.967 4.201 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.301 -0.751 3.710 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.203 1.058 2.369 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.617 1.757 2.109 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.080 0.754 0.473 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -6.990 -0.763 1.003 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.897 -0.477 -1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.806 -1.993 -1.165 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.766 -1.829 -2.492 1.00 0.00 H new ATOM 1244 N ILE A 100 -2.240 0.186 3.010 1.00 0.00 N ATOM 1245 CA ILE A 100 -0.916 -0.304 2.662 1.00 0.00 C ATOM 1246 C ILE A 100 -0.363 -1.134 3.822 1.00 0.00 C ATOM 1247 O ILE A 100 0.398 -2.076 3.609 1.00 0.00 O ATOM 1248 CB ILE A 100 -0.009 0.856 2.249 1.00 0.00 C ATOM 1249 CG1 ILE A 100 -0.702 1.758 1.226 1.00 0.00 C ATOM 1250 CG2 ILE A 100 1.340 0.343 1.740 1.00 0.00 C ATOM 1251 CD1 ILE A 100 -0.767 1.081 -0.146 1.00 0.00 C ATOM 0 H ILE A 100 -2.279 1.177 3.250 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.968 -0.963 1.795 1.00 0.00 H new ATOM 0 HB ILE A 100 0.190 1.464 3.131 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.710 1.994 1.567 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.164 2.702 1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.966 1.188 1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.835 -0.224 2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.181 -0.301 0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.264 1.743 -0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.243 0.868 -0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.327 0.149 -0.066 1.00 0.00 H new ATOM 1263 N GLU A 101 -0.769 -0.755 5.025 1.00 0.00 N ATOM 1264 CA GLU A 101 -0.325 -1.453 6.219 1.00 0.00 C ATOM 1265 C GLU A 101 -0.756 -2.920 6.168 1.00 0.00 C ATOM 1266 O GLU A 101 -0.034 -3.800 6.638 1.00 0.00 O ATOM 1267 CB GLU A 101 -0.853 -0.770 7.483 1.00 0.00 C ATOM 1268 CG GLU A 101 0.253 -0.626 8.531 1.00 0.00 C ATOM 1269 CD GLU A 101 -0.005 -1.544 9.728 1.00 0.00 C ATOM 1270 OE1 GLU A 101 -1.078 -1.379 10.349 1.00 0.00 O ATOM 1271 OE2 GLU A 101 0.877 -2.388 9.997 1.00 0.00 O ATOM 0 H GLU A 101 -1.401 0.027 5.198 1.00 0.00 H new ATOM 0 HA GLU A 101 0.764 -1.415 6.254 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.250 0.213 7.231 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.678 -1.350 7.897 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.217 -0.868 8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 101 0.308 0.409 8.867 1.00 0.00 H new ATOM 1278 N LYS A 102 -1.929 -3.139 5.594 1.00 0.00 N ATOM 1279 CA LYS A 102 -2.465 -4.484 5.475 1.00 0.00 C ATOM 1280 C LYS A 102 -1.882 -5.152 4.229 1.00 0.00 C ATOM 1281 O LYS A 102 -1.896 -6.377 4.112 1.00 0.00 O ATOM 1282 CB LYS A 102 -3.994 -4.457 5.501 1.00 0.00 C ATOM 1283 CG LYS A 102 -4.544 -5.454 6.523 1.00 0.00 C ATOM 1284 CD LYS A 102 -5.144 -4.728 7.729 1.00 0.00 C ATOM 1285 CE LYS A 102 -5.350 -5.691 8.900 1.00 0.00 C ATOM 1286 NZ LYS A 102 -4.875 -5.080 10.161 1.00 0.00 N ATOM 0 H LYS A 102 -2.524 -2.407 5.206 1.00 0.00 H new ATOM 0 HA LYS A 102 -2.167 -5.090 6.331 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.339 -3.452 5.746 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.382 -4.695 4.511 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -5.305 -6.078 6.054 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -3.746 -6.119 6.854 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -4.485 -3.915 8.034 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -6.097 -4.279 7.451 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.406 -5.946 8.988 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.812 -6.620 8.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.022 -5.746 10.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -3.862 -4.859 10.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.407 -4.205 10.345 1.00 0.00 H new ATOM 1300 N LEU A 103 -1.386 -4.319 3.327 1.00 0.00 N ATOM 1301 CA LEU A 103 -0.799 -4.814 2.093 1.00 0.00 C ATOM 1302 C LEU A 103 0.702 -5.026 2.296 1.00 0.00 C ATOM 1303 O LEU A 103 1.363 -5.641 1.461 1.00 0.00 O ATOM 1304 CB LEU A 103 -1.137 -3.880 0.928 1.00 0.00 C ATOM 1305 CG LEU A 103 -2.148 -4.415 -0.088 1.00 0.00 C ATOM 1306 CD1 LEU A 103 -3.481 -4.747 0.587 1.00 0.00 C ATOM 1307 CD2 LEU A 103 -2.324 -3.438 -1.252 1.00 0.00 C ATOM 0 H LEU A 103 -1.378 -3.304 3.426 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.224 -5.782 1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.522 -2.946 1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.214 -3.640 0.401 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.756 -5.344 -0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.182 -5.125 -0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.322 -5.505 1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.890 -3.847 1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.048 -3.842 -1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.683 -2.481 -0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.367 -3.294 -1.754 1.00 0.00 H new ATOM 1319 N THR A 104 1.196 -4.506 3.410 1.00 0.00 N ATOM 1320 CA THR A 104 2.607 -4.631 3.733 1.00 0.00 C ATOM 1321 C THR A 104 2.792 -5.453 5.009 1.00 0.00 C ATOM 1322 O THR A 104 3.672 -6.308 5.079 1.00 0.00 O ATOM 1323 CB THR A 104 3.196 -3.222 3.826 1.00 0.00 C ATOM 1324 OG1 THR A 104 2.530 -2.640 4.943 1.00 0.00 O ATOM 1325 CG2 THR A 104 2.791 -2.337 2.647 1.00 0.00 C ATOM 0 H THR A 104 0.644 -3.997 4.100 1.00 0.00 H new ATOM 0 HA THR A 104 3.145 -5.173 2.955 1.00 0.00 H new ATOM 0 HB THR A 104 4.283 -3.287 3.873 1.00 0.00 H new ATOM 0 HG1 THR A 104 1.707 -2.203 4.641 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.236 -1.349 2.764 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.142 -2.786 1.718 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.705 -2.244 2.618 1.00 0.00 H new ATOM 1333 N GLY A 105 1.944 -5.167 5.987 1.00 0.00 N ATOM 1334 CA GLY A 105 2.002 -5.868 7.258 1.00 0.00 C ATOM 1335 C GLY A 105 3.067 -5.261 8.173 1.00 0.00 C ATOM 1336 O GLY A 105 3.344 -5.792 9.246 1.00 0.00 O ATOM 0 H GLY A 105 1.213 -4.459 5.924 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.029 -5.822 7.747 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.223 -6.921 7.086 1.00 0.00 H new ATOM 1340 N TYR A 106 3.636 -4.155 7.712 1.00 0.00 N ATOM 1341 CA TYR A 106 4.665 -3.470 8.476 1.00 0.00 C ATOM 1342 C TYR A 106 4.100 -2.225 9.162 1.00 0.00 C ATOM 1343 O TYR A 106 3.502 -1.369 8.510 1.00 0.00 O ATOM 1344 CB TYR A 106 5.727 -3.041 7.461 1.00 0.00 C ATOM 1345 CG TYR A 106 6.881 -4.034 7.310 1.00 0.00 C ATOM 1346 CD1 TYR A 106 6.706 -5.187 6.573 1.00 0.00 C ATOM 1347 CD2 TYR A 106 8.096 -3.776 7.912 1.00 0.00 C ATOM 1348 CE1 TYR A 106 7.793 -6.121 6.431 1.00 0.00 C ATOM 1349 CE2 TYR A 106 9.182 -4.711 7.770 1.00 0.00 C ATOM 1350 CZ TYR A 106 8.977 -5.838 7.037 1.00 0.00 C ATOM 1351 OH TYR A 106 10.003 -6.720 6.903 1.00 0.00 O ATOM 0 H TYR A 106 3.404 -3.718 6.820 1.00 0.00 H new ATOM 0 HA TYR A 106 5.067 -4.122 9.251 1.00 0.00 H new ATOM 0 HB2 TYR A 106 5.252 -2.902 6.490 1.00 0.00 H new ATOM 0 HB3 TYR A 106 6.131 -2.074 7.760 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.755 -5.389 6.103 1.00 0.00 H new ATOM 0 HD2 TYR A 106 8.232 -2.873 8.489 1.00 0.00 H new ATOM 0 HE1 TYR A 106 7.670 -7.027 5.856 1.00 0.00 H new ATOM 0 HE2 TYR A 106 10.138 -4.521 8.235 1.00 0.00 H new ATOM 0 HH TYR A 106 10.787 -6.387 7.388 1.00 0.00 H new