USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 727 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 33 CYS SG : rot -45:sc= 0.394 USER MOD Set 1.2: A 83 CYS SG : rot 102:sc= 0.228 USER MOD Single : A 1 GLY N :NH3+ 151:sc= 0.00258 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 2:sc= 0.872! USER MOD Single : A 5 SER OG : rot 47:sc= 0.555 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 154:sc=-0.00891 (180deg=-0.689) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -5.19! C(o=-5.2!,f=-11!) USER MOD Single : A 18 HIS : no HE2:sc= -2.17 K(o=-2.2,f=-6.6!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 49:sc= 1.23 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0752 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc=-0.00522 X(o=-0.0052,f=-0.41) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 43 THR OG1 : rot -24:sc= 0.439 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -144:sc= 0.471 (180deg=-0.0874) USER MOD Single : A 49 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00376) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -69:sc= 0.397 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 180:sc= -0.676 USER MOD Single : A 65 THR OG1 : rot 16:sc= 0.725 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 72 GLN : amide:sc= -0.0185 X(o=-0.019,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.984 X(o=-0.98,f=-0.92) USER MOD Single : A 81 TYR OH : rot -12:sc= 0.934 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 89 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.0065) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0801 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 99 GLN : amide:sc= -0.0443 K(o=-0.044,f=-0.6) USER MOD Single : A 100 CYS SG : rot 180:sc= -0.29 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.393 36.283 -0.540 1.00 0.00 N ATOM 2 CA GLY A 1 15.862 35.314 0.402 1.00 0.00 C ATOM 3 C GLY A 1 14.463 35.665 0.867 1.00 0.00 C ATOM 4 O GLY A 1 14.158 36.831 1.116 1.00 0.00 O ATOM 0 H1 GLY A 1 17.429 36.313 -0.460 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.129 36.007 -1.507 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.002 37.223 -0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.850 34.328 -0.063 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.524 35.251 1.266 1.00 0.00 H new ATOM 8 N SER A 2 13.608 34.653 0.982 1.00 0.00 N ATOM 9 CA SER A 2 12.232 34.861 1.415 1.00 0.00 C ATOM 10 C SER A 2 11.540 33.528 1.683 1.00 0.00 C ATOM 11 O SER A 2 11.729 32.558 0.949 1.00 0.00 O ATOM 12 CB SER A 2 11.455 35.647 0.357 1.00 0.00 C ATOM 13 OG SER A 2 10.385 36.370 0.942 1.00 0.00 O ATOM 0 H SER A 2 13.845 33.681 0.781 1.00 0.00 H new ATOM 0 HA SER A 2 12.252 35.434 2.342 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.127 36.336 -0.155 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.066 34.962 -0.397 1.00 0.00 H new ATOM 0 HG SER A 2 9.905 36.865 0.245 1.00 0.00 H new ATOM 19 N SER A 3 10.737 33.488 2.742 1.00 0.00 N ATOM 20 CA SER A 3 10.019 32.273 3.111 1.00 0.00 C ATOM 21 C SER A 3 8.543 32.570 3.363 1.00 0.00 C ATOM 22 O SER A 3 8.199 33.368 4.233 1.00 0.00 O ATOM 23 CB SER A 3 10.644 31.645 4.357 1.00 0.00 C ATOM 24 OG SER A 3 10.229 32.319 5.532 1.00 0.00 O ATOM 0 H SER A 3 10.567 34.282 3.359 1.00 0.00 H new ATOM 0 HA SER A 3 10.094 31.570 2.282 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.362 30.594 4.418 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.731 31.679 4.279 1.00 0.00 H new ATOM 0 HG SER A 3 9.594 33.027 5.296 1.00 0.00 H new ATOM 30 N GLY A 4 7.675 31.920 2.594 1.00 0.00 N ATOM 31 CA GLY A 4 6.247 32.126 2.748 1.00 0.00 C ATOM 32 C GLY A 4 5.491 30.827 2.946 1.00 0.00 C ATOM 33 O GLY A 4 5.738 30.098 3.906 1.00 0.00 O ATOM 0 H GLY A 4 7.936 31.254 1.867 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.068 32.781 3.601 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.860 32.637 1.867 1.00 0.00 H new ATOM 37 N SER A 5 4.567 30.538 2.036 1.00 0.00 N ATOM 38 CA SER A 5 3.768 29.321 2.117 1.00 0.00 C ATOM 39 C SER A 5 4.626 28.089 1.843 1.00 0.00 C ATOM 40 O SER A 5 4.678 27.594 0.717 1.00 0.00 O ATOM 41 CB SER A 5 2.607 29.380 1.123 1.00 0.00 C ATOM 42 OG SER A 5 3.076 29.599 -0.196 1.00 0.00 O ATOM 0 H SER A 5 4.353 31.130 1.234 1.00 0.00 H new ATOM 0 HA SER A 5 3.367 29.246 3.128 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.043 28.448 1.162 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.922 30.179 1.406 1.00 0.00 H new ATOM 0 HG SER A 5 3.827 28.997 -0.380 1.00 0.00 H new ATOM 48 N SER A 6 5.297 27.600 2.881 1.00 0.00 N ATOM 49 CA SER A 6 6.156 26.429 2.752 1.00 0.00 C ATOM 50 C SER A 6 5.441 25.174 3.243 1.00 0.00 C ATOM 51 O SER A 6 4.405 25.254 3.901 1.00 0.00 O ATOM 52 CB SER A 6 7.453 26.632 3.539 1.00 0.00 C ATOM 53 OG SER A 6 8.354 27.465 2.830 1.00 0.00 O ATOM 0 H SER A 6 5.262 27.996 3.820 1.00 0.00 H new ATOM 0 HA SER A 6 6.396 26.300 1.697 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.228 27.076 4.509 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.920 25.666 3.732 1.00 0.00 H new ATOM 0 HG SER A 6 9.174 27.581 3.354 1.00 0.00 H new ATOM 59 N GLY A 7 6.003 24.014 2.918 1.00 0.00 N ATOM 60 CA GLY A 7 5.406 22.758 3.333 1.00 0.00 C ATOM 61 C GLY A 7 6.440 21.748 3.791 1.00 0.00 C ATOM 62 O GLY A 7 7.566 22.112 4.131 1.00 0.00 O ATOM 0 H GLY A 7 6.861 23.922 2.375 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.701 22.944 4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.836 22.339 2.504 1.00 0.00 H new ATOM 66 N LYS A 8 6.058 20.476 3.801 1.00 0.00 N ATOM 67 CA LYS A 8 6.959 19.409 4.221 1.00 0.00 C ATOM 68 C LYS A 8 6.831 18.196 3.304 1.00 0.00 C ATOM 69 O LYS A 8 5.739 17.873 2.835 1.00 0.00 O ATOM 70 CB LYS A 8 6.663 19.003 5.666 1.00 0.00 C ATOM 71 CG LYS A 8 7.605 17.939 6.204 1.00 0.00 C ATOM 72 CD LYS A 8 6.942 17.104 7.286 1.00 0.00 C ATOM 73 CE LYS A 8 7.066 17.761 8.652 1.00 0.00 C ATOM 74 NZ LYS A 8 6.077 18.860 8.830 1.00 0.00 N ATOM 0 H LYS A 8 5.130 20.158 3.523 1.00 0.00 H new ATOM 0 HA LYS A 8 7.981 19.784 4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.724 19.886 6.302 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.639 18.635 5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.927 17.291 5.389 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.500 18.414 6.606 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.889 16.962 7.044 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.398 16.115 7.314 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.920 17.012 9.430 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.074 18.156 8.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.875 18.985 9.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.466 19.743 8.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.198 18.620 8.329 1.00 0.00 H new ATOM 88 N VAL A 9 7.952 17.528 3.054 1.00 0.00 N ATOM 89 CA VAL A 9 7.964 16.349 2.196 1.00 0.00 C ATOM 90 C VAL A 9 8.285 15.091 2.995 1.00 0.00 C ATOM 91 O VAL A 9 9.241 15.062 3.771 1.00 0.00 O ATOM 92 CB VAL A 9 8.990 16.495 1.056 1.00 0.00 C ATOM 93 CG1 VAL A 9 8.921 15.299 0.120 1.00 0.00 C ATOM 94 CG2 VAL A 9 8.759 17.792 0.296 1.00 0.00 C ATOM 0 H VAL A 9 8.864 17.783 3.433 1.00 0.00 H new ATOM 0 HA VAL A 9 6.966 16.259 1.768 1.00 0.00 H new ATOM 0 HB VAL A 9 9.989 16.528 1.491 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.653 15.420 -0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.139 14.388 0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.922 15.231 -0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.492 17.879 -0.506 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.755 17.791 -0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.864 18.636 0.977 1.00 0.00 H new ATOM 104 N VAL A 10 7.480 14.051 2.801 1.00 0.00 N ATOM 105 CA VAL A 10 7.679 12.789 3.502 1.00 0.00 C ATOM 106 C VAL A 10 8.225 11.719 2.563 1.00 0.00 C ATOM 107 O VAL A 10 8.983 10.842 2.978 1.00 0.00 O ATOM 108 CB VAL A 10 6.366 12.283 4.130 1.00 0.00 C ATOM 109 CG1 VAL A 10 6.570 10.916 4.766 1.00 0.00 C ATOM 110 CG2 VAL A 10 5.846 13.283 5.152 1.00 0.00 C ATOM 0 H VAL A 10 6.684 14.058 2.164 1.00 0.00 H new ATOM 0 HA VAL A 10 8.404 12.978 4.294 1.00 0.00 H new ATOM 0 HB VAL A 10 5.621 12.182 3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.632 10.575 5.204 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.895 10.206 4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.330 10.987 5.544 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.918 12.910 5.586 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.587 13.417 5.940 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.660 14.239 4.663 1.00 0.00 H new ATOM 120 N PHE A 11 7.835 11.797 1.295 1.00 0.00 N ATOM 121 CA PHE A 11 8.285 10.835 0.296 1.00 0.00 C ATOM 122 C PHE A 11 9.166 11.510 -0.752 1.00 0.00 C ATOM 123 O PHE A 11 9.456 12.702 -0.659 1.00 0.00 O ATOM 124 CB PHE A 11 7.084 10.172 -0.382 1.00 0.00 C ATOM 125 CG PHE A 11 6.301 9.273 0.532 1.00 0.00 C ATOM 126 CD1 PHE A 11 6.872 8.124 1.052 1.00 0.00 C ATOM 127 CD2 PHE A 11 4.992 9.578 0.870 1.00 0.00 C ATOM 128 CE1 PHE A 11 6.154 7.295 1.894 1.00 0.00 C ATOM 129 CE2 PHE A 11 4.269 8.754 1.711 1.00 0.00 C ATOM 130 CZ PHE A 11 4.851 7.610 2.223 1.00 0.00 C ATOM 0 H PHE A 11 7.208 12.517 0.935 1.00 0.00 H new ATOM 0 HA PHE A 11 8.875 10.071 0.803 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.423 10.947 -0.771 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.433 9.593 -1.237 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.891 7.872 0.797 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.532 10.470 0.471 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.612 6.402 2.294 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.250 9.004 1.968 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.287 6.964 2.879 1.00 0.00 H new ATOM 140 N ALA A 12 9.588 10.738 -1.747 1.00 0.00 N ATOM 141 CA ALA A 12 10.434 11.261 -2.813 1.00 0.00 C ATOM 142 C ALA A 12 9.679 12.274 -3.667 1.00 0.00 C ATOM 143 O ALA A 12 8.533 12.617 -3.374 1.00 0.00 O ATOM 144 CB ALA A 12 10.956 10.123 -3.678 1.00 0.00 C ATOM 0 H ALA A 12 9.358 9.748 -1.838 1.00 0.00 H new ATOM 0 HA ALA A 12 11.280 11.772 -2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.586 10.528 -4.470 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.540 9.438 -3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.116 9.588 -4.121 1.00 0.00 H new ATOM 150 N LYS A 13 10.327 12.750 -4.724 1.00 0.00 N ATOM 151 CA LYS A 13 9.718 13.724 -5.622 1.00 0.00 C ATOM 152 C LYS A 13 9.552 13.143 -7.023 1.00 0.00 C ATOM 153 O LYS A 13 8.609 13.482 -7.736 1.00 0.00 O ATOM 154 CB LYS A 13 10.568 14.995 -5.682 1.00 0.00 C ATOM 155 CG LYS A 13 11.965 14.767 -6.233 1.00 0.00 C ATOM 156 CD LYS A 13 12.964 15.747 -5.642 1.00 0.00 C ATOM 157 CE LYS A 13 12.851 17.118 -6.290 1.00 0.00 C ATOM 158 NZ LYS A 13 13.704 18.128 -5.605 1.00 0.00 N ATOM 0 H LYS A 13 11.276 12.477 -4.980 1.00 0.00 H new ATOM 0 HA LYS A 13 8.731 13.973 -5.232 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.059 15.734 -6.301 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.646 15.417 -4.680 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.281 13.747 -6.014 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.951 14.871 -7.318 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.796 15.836 -4.569 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.975 15.362 -5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.141 17.049 -7.338 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.812 17.446 -6.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.599 19.049 -6.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.411 18.213 -4.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.699 17.829 -5.648 1.00 0.00 H new ATOM 172 N GLU A 14 10.474 12.267 -7.408 1.00 0.00 N ATOM 173 CA GLU A 14 10.429 11.640 -8.724 1.00 0.00 C ATOM 174 C GLU A 14 9.625 10.343 -8.681 1.00 0.00 C ATOM 175 O GLU A 14 9.962 9.371 -9.356 1.00 0.00 O ATOM 176 CB GLU A 14 11.845 11.359 -9.229 1.00 0.00 C ATOM 177 CG GLU A 14 12.528 12.573 -9.835 1.00 0.00 C ATOM 178 CD GLU A 14 13.583 12.200 -10.858 1.00 0.00 C ATOM 179 OE1 GLU A 14 14.579 11.552 -10.472 1.00 0.00 O ATOM 180 OE2 GLU A 14 13.414 12.555 -12.043 1.00 0.00 O ATOM 0 H GLU A 14 11.261 11.975 -6.828 1.00 0.00 H new ATOM 0 HA GLU A 14 9.937 12.330 -9.410 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.450 10.988 -8.401 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.805 10.565 -9.975 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.779 13.209 -10.307 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.989 13.160 -9.041 1.00 0.00 H new ATOM 187 N GLN A 15 8.563 10.339 -7.882 1.00 0.00 N ATOM 188 CA GLN A 15 7.713 9.161 -7.749 1.00 0.00 C ATOM 189 C GLN A 15 6.244 9.527 -7.937 1.00 0.00 C ATOM 190 O GLN A 15 5.783 10.585 -7.509 1.00 0.00 O ATOM 191 CB GLN A 15 7.917 8.510 -6.381 1.00 0.00 C ATOM 192 CG GLN A 15 7.610 9.434 -5.214 1.00 0.00 C ATOM 193 CD GLN A 15 7.543 8.701 -3.890 1.00 0.00 C ATOM 194 OE1 GLN A 15 6.573 8.832 -3.142 1.00 0.00 O ATOM 195 NE2 GLN A 15 8.576 7.922 -3.591 1.00 0.00 N ATOM 0 H GLN A 15 8.271 11.137 -7.318 1.00 0.00 H new ATOM 0 HA GLN A 15 7.995 8.451 -8.526 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.282 7.627 -6.310 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.949 8.168 -6.301 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.375 10.208 -5.158 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.660 9.937 -5.394 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.359 7.842 -4.240 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.586 7.403 -2.713 1.00 0.00 H new ATOM 204 N PRO A 16 5.490 8.632 -8.593 1.00 0.00 N ATOM 205 CA PRO A 16 4.062 8.839 -8.852 1.00 0.00 C ATOM 206 C PRO A 16 3.225 8.759 -7.580 1.00 0.00 C ATOM 207 O PRO A 16 3.570 8.041 -6.643 1.00 0.00 O ATOM 208 CB PRO A 16 3.705 7.692 -9.801 1.00 0.00 C ATOM 209 CG PRO A 16 4.708 6.630 -9.507 1.00 0.00 C ATOM 210 CD PRO A 16 5.974 7.350 -9.131 1.00 0.00 C ATOM 0 HA PRO A 16 3.861 9.829 -9.262 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.689 7.336 -9.627 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.758 8.009 -10.843 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.369 5.987 -8.695 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.866 5.991 -10.376 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.548 6.794 -8.389 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.625 7.496 -9.993 1.00 0.00 H new ATOM 218 N ALA A 17 2.122 9.500 -7.556 1.00 0.00 N ATOM 219 CA ALA A 17 1.234 9.511 -6.400 1.00 0.00 C ATOM 220 C ALA A 17 0.646 8.127 -6.147 1.00 0.00 C ATOM 221 O ALA A 17 0.593 7.663 -5.008 1.00 0.00 O ATOM 222 CB ALA A 17 0.123 10.531 -6.598 1.00 0.00 C ATOM 0 H ALA A 17 1.822 10.101 -8.324 1.00 0.00 H new ATOM 0 HA ALA A 17 1.820 9.794 -5.525 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.533 10.529 -5.727 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.558 11.523 -6.722 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.453 10.273 -7.487 1.00 0.00 H new ATOM 228 N HIS A 18 0.204 7.473 -7.216 1.00 0.00 N ATOM 229 CA HIS A 18 -0.381 6.141 -7.109 1.00 0.00 C ATOM 230 C HIS A 18 0.102 5.242 -8.243 1.00 0.00 C ATOM 231 O HIS A 18 0.012 5.604 -9.417 1.00 0.00 O ATOM 232 CB HIS A 18 -1.908 6.228 -7.128 1.00 0.00 C ATOM 233 CG HIS A 18 -2.571 5.007 -7.686 1.00 0.00 C ATOM 234 ND1 HIS A 18 -2.236 3.726 -7.300 1.00 0.00 N ATOM 235 CD2 HIS A 18 -3.556 4.876 -8.605 1.00 0.00 C ATOM 236 CE1 HIS A 18 -2.985 2.860 -7.958 1.00 0.00 C ATOM 237 NE2 HIS A 18 -3.795 3.532 -8.757 1.00 0.00 N ATOM 0 H HIS A 18 0.240 7.843 -8.166 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.060 5.706 -6.162 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.267 6.394 -6.112 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.207 7.095 -7.717 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -1.521 3.485 -6.613 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.060 5.679 -9.122 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.943 1.785 -7.860 1.00 0.00 H new ATOM 246 N ARG A 19 0.617 4.070 -7.885 1.00 0.00 N ATOM 247 CA ARG A 19 1.117 3.121 -8.872 1.00 0.00 C ATOM 248 C ARG A 19 0.331 1.815 -8.817 1.00 0.00 C ATOM 249 O ARG A 19 -0.127 1.399 -7.753 1.00 0.00 O ATOM 250 CB ARG A 19 2.603 2.845 -8.638 1.00 0.00 C ATOM 251 CG ARG A 19 3.272 2.102 -9.783 1.00 0.00 C ATOM 252 CD ARG A 19 4.726 1.786 -9.468 1.00 0.00 C ATOM 253 NE ARG A 19 5.508 1.544 -10.678 1.00 0.00 N ATOM 254 CZ ARG A 19 5.768 2.480 -11.584 1.00 0.00 C ATOM 255 NH1 ARG A 19 5.311 3.713 -11.419 1.00 0.00 N ATOM 256 NH2 ARG A 19 6.487 2.182 -12.659 1.00 0.00 N ATOM 0 H ARG A 19 0.699 3.755 -6.918 1.00 0.00 H new ATOM 0 HA ARG A 19 0.988 3.561 -9.861 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.119 3.792 -8.480 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.716 2.263 -7.723 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.732 1.176 -9.982 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.218 2.704 -10.690 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.165 2.615 -8.912 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.775 0.909 -8.823 1.00 0.00 H new ATOM 0 HE ARG A 19 5.874 0.605 -10.836 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.758 3.946 -10.594 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.513 4.429 -12.117 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.840 1.234 -12.790 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.686 2.901 -13.355 1.00 0.00 H new ATOM 270 N GLU A 20 0.178 1.172 -9.971 1.00 0.00 N ATOM 271 CA GLU A 20 -0.553 -0.086 -10.053 1.00 0.00 C ATOM 272 C GLU A 20 0.400 -1.276 -9.986 1.00 0.00 C ATOM 273 O GLU A 20 1.469 -1.264 -10.597 1.00 0.00 O ATOM 274 CB GLU A 20 -1.368 -0.144 -11.347 1.00 0.00 C ATOM 275 CG GLU A 20 -2.514 0.852 -11.390 1.00 0.00 C ATOM 276 CD GLU A 20 -3.611 0.438 -12.352 1.00 0.00 C ATOM 277 OE1 GLU A 20 -4.000 -0.748 -12.333 1.00 0.00 O ATOM 278 OE2 GLU A 20 -4.080 1.300 -13.124 1.00 0.00 O ATOM 0 H GLU A 20 0.551 1.502 -10.861 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.231 -0.138 -9.201 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.705 0.041 -12.192 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.768 -1.151 -11.470 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.934 0.960 -10.390 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.130 1.830 -11.682 1.00 0.00 H new ATOM 285 N VAL A 21 0.006 -2.301 -9.238 1.00 0.00 N ATOM 286 CA VAL A 21 0.824 -3.499 -9.090 1.00 0.00 C ATOM 287 C VAL A 21 0.006 -4.759 -9.349 1.00 0.00 C ATOM 288 O VAL A 21 -1.114 -4.895 -8.858 1.00 0.00 O ATOM 289 CB VAL A 21 1.445 -3.584 -7.683 1.00 0.00 C ATOM 290 CG1 VAL A 21 2.269 -4.854 -7.539 1.00 0.00 C ATOM 291 CG2 VAL A 21 2.293 -2.353 -7.400 1.00 0.00 C ATOM 0 H VAL A 21 -0.875 -2.326 -8.725 1.00 0.00 H new ATOM 0 HA VAL A 21 1.623 -3.430 -9.828 1.00 0.00 H new ATOM 0 HB VAL A 21 0.639 -3.618 -6.950 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.700 -4.897 -6.539 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.629 -5.722 -7.696 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.069 -4.854 -8.279 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.724 -2.430 -6.402 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.093 -2.285 -8.137 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.670 -1.461 -7.458 1.00 0.00 H new ATOM 301 N GLN A 22 0.574 -5.677 -10.124 1.00 0.00 N ATOM 302 CA GLN A 22 -0.104 -6.927 -10.449 1.00 0.00 C ATOM 303 C GLN A 22 0.674 -8.124 -9.912 1.00 0.00 C ATOM 304 O GLN A 22 1.892 -8.061 -9.746 1.00 0.00 O ATOM 305 CB GLN A 22 -0.282 -7.057 -11.962 1.00 0.00 C ATOM 306 CG GLN A 22 -1.055 -8.297 -12.380 1.00 0.00 C ATOM 307 CD GLN A 22 -1.130 -8.458 -13.885 1.00 0.00 C ATOM 308 OE1 GLN A 22 -0.108 -8.591 -14.559 1.00 0.00 O ATOM 309 NE2 GLN A 22 -2.345 -8.448 -14.422 1.00 0.00 N ATOM 0 H GLN A 22 1.501 -5.579 -10.538 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.085 -6.912 -9.975 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.800 -6.173 -12.336 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.700 -7.075 -12.435 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.582 -9.178 -11.947 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.065 -8.245 -11.973 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.165 -8.335 -13.826 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.458 -8.553 -15.430 1.00 0.00 H new ATOM 318 N ALA A 23 -0.038 -9.213 -9.641 1.00 0.00 N ATOM 319 CA ALA A 23 0.586 -10.425 -9.125 1.00 0.00 C ATOM 320 C ALA A 23 -0.262 -11.654 -9.434 1.00 0.00 C ATOM 321 O ALA A 23 -1.393 -11.536 -9.904 1.00 0.00 O ATOM 322 CB ALA A 23 0.815 -10.302 -7.626 1.00 0.00 C ATOM 0 H ALA A 23 -1.048 -9.281 -9.770 1.00 0.00 H new ATOM 0 HA ALA A 23 1.549 -10.548 -9.620 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.282 -11.214 -7.253 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.468 -9.452 -7.426 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.140 -10.151 -7.123 1.00 0.00 H new ATOM 328 N GLU A 24 0.293 -12.832 -9.167 1.00 0.00 N ATOM 329 CA GLU A 24 -0.414 -14.083 -9.419 1.00 0.00 C ATOM 330 C GLU A 24 -0.854 -14.732 -8.110 1.00 0.00 C ATOM 331 O GLU A 24 -0.259 -14.499 -7.059 1.00 0.00 O ATOM 332 CB GLU A 24 0.476 -15.047 -10.206 1.00 0.00 C ATOM 333 CG GLU A 24 0.699 -14.630 -11.650 1.00 0.00 C ATOM 334 CD GLU A 24 0.946 -15.812 -12.567 1.00 0.00 C ATOM 335 OE1 GLU A 24 1.789 -16.665 -12.221 1.00 0.00 O ATOM 336 OE2 GLU A 24 0.296 -15.883 -13.631 1.00 0.00 O ATOM 0 H GLU A 24 1.228 -12.947 -8.777 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.303 -13.857 -10.009 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.442 -15.126 -9.707 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.026 -16.040 -10.189 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.171 -14.077 -12.003 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.550 -13.951 -11.701 1.00 0.00 H new ATOM 343 N ALA A 25 -1.902 -15.546 -8.184 1.00 0.00 N ATOM 344 CA ALA A 25 -2.421 -16.230 -7.006 1.00 0.00 C ATOM 345 C ALA A 25 -1.373 -17.160 -6.404 1.00 0.00 C ATOM 346 O ALA A 25 -0.868 -18.059 -7.076 1.00 0.00 O ATOM 347 CB ALA A 25 -3.680 -17.009 -7.361 1.00 0.00 C ATOM 0 H ALA A 25 -2.408 -15.748 -9.047 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.671 -15.476 -6.259 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.057 -17.515 -6.472 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.439 -16.323 -7.737 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.447 -17.748 -8.128 1.00 0.00 H new ATOM 353 N GLY A 26 -1.051 -16.938 -5.134 1.00 0.00 N ATOM 354 CA GLY A 26 -0.064 -17.763 -4.463 1.00 0.00 C ATOM 355 C GLY A 26 1.337 -17.195 -4.571 1.00 0.00 C ATOM 356 O GLY A 26 2.256 -17.658 -3.896 1.00 0.00 O ATOM 0 H GLY A 26 -1.456 -16.201 -4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.332 -17.862 -3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.080 -18.765 -4.892 1.00 0.00 H new ATOM 360 N ALA A 27 1.502 -16.189 -5.424 1.00 0.00 N ATOM 361 CA ALA A 27 2.801 -15.557 -5.617 1.00 0.00 C ATOM 362 C ALA A 27 3.106 -14.574 -4.492 1.00 0.00 C ATOM 363 O ALA A 27 2.251 -14.291 -3.653 1.00 0.00 O ATOM 364 CB ALA A 27 2.850 -14.851 -6.965 1.00 0.00 C ATOM 0 H ALA A 27 0.752 -15.795 -5.992 1.00 0.00 H new ATOM 0 HA ALA A 27 3.563 -16.337 -5.599 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.826 -14.383 -7.096 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.686 -15.576 -7.762 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.074 -14.087 -7.004 1.00 0.00 H new ATOM 370 N SER A 28 4.331 -14.056 -4.481 1.00 0.00 N ATOM 371 CA SER A 28 4.750 -13.108 -3.455 1.00 0.00 C ATOM 372 C SER A 28 4.911 -11.709 -4.043 1.00 0.00 C ATOM 373 O SER A 28 5.937 -11.391 -4.643 1.00 0.00 O ATOM 374 CB SER A 28 6.065 -13.561 -2.819 1.00 0.00 C ATOM 375 OG SER A 28 7.138 -13.464 -3.740 1.00 0.00 O ATOM 0 H SER A 28 5.050 -14.277 -5.170 1.00 0.00 H new ATOM 0 HA SER A 28 3.977 -13.074 -2.688 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.278 -12.949 -1.942 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.970 -14.591 -2.474 1.00 0.00 H new ATOM 0 HG SER A 28 7.124 -12.582 -4.167 1.00 0.00 H new ATOM 381 N ALA A 29 3.890 -10.878 -3.865 1.00 0.00 N ATOM 382 CA ALA A 29 3.918 -9.512 -4.374 1.00 0.00 C ATOM 383 C ALA A 29 4.946 -8.669 -3.628 1.00 0.00 C ATOM 384 O ALA A 29 5.437 -9.062 -2.570 1.00 0.00 O ATOM 385 CB ALA A 29 2.537 -8.881 -4.269 1.00 0.00 C ATOM 0 H ALA A 29 3.032 -11.127 -3.372 1.00 0.00 H new ATOM 0 HA ALA A 29 4.210 -9.548 -5.424 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.573 -7.861 -4.653 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.825 -9.464 -4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.223 -8.865 -3.225 1.00 0.00 H new ATOM 391 N THR A 30 5.268 -7.506 -4.186 1.00 0.00 N ATOM 392 CA THR A 30 6.239 -6.607 -3.575 1.00 0.00 C ATOM 393 C THR A 30 5.963 -5.158 -3.957 1.00 0.00 C ATOM 394 O THR A 30 6.218 -4.745 -5.089 1.00 0.00 O ATOM 395 CB THR A 30 7.678 -6.971 -3.986 1.00 0.00 C ATOM 396 OG1 THR A 30 7.945 -8.343 -3.674 1.00 0.00 O ATOM 397 CG2 THR A 30 8.685 -6.078 -3.277 1.00 0.00 C ATOM 0 H THR A 30 4.870 -7.165 -5.061 1.00 0.00 H new ATOM 0 HA THR A 30 6.139 -6.720 -2.495 1.00 0.00 H new ATOM 0 HB THR A 30 7.775 -6.819 -5.061 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.861 -8.567 -3.940 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.694 -6.354 -3.583 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.497 -5.037 -3.541 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.586 -6.203 -2.199 1.00 0.00 H new ATOM 405 N LEU A 31 5.443 -4.389 -3.008 1.00 0.00 N ATOM 406 CA LEU A 31 5.133 -2.983 -3.245 1.00 0.00 C ATOM 407 C LEU A 31 6.255 -2.085 -2.733 1.00 0.00 C ATOM 408 O LEU A 31 6.307 -1.754 -1.549 1.00 0.00 O ATOM 409 CB LEU A 31 3.815 -2.609 -2.567 1.00 0.00 C ATOM 410 CG LEU A 31 2.657 -3.588 -2.763 1.00 0.00 C ATOM 411 CD1 LEU A 31 1.466 -3.185 -1.908 1.00 0.00 C ATOM 412 CD2 LEU A 31 2.262 -3.659 -4.231 1.00 0.00 C ATOM 0 H LEU A 31 5.227 -4.715 -2.066 1.00 0.00 H new ATOM 0 HA LEU A 31 5.035 -2.834 -4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.997 -2.503 -1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.504 -1.632 -2.936 1.00 0.00 H new ATOM 0 HG LEU A 31 2.986 -4.578 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.652 -3.893 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.755 -3.186 -0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.136 -2.186 -2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.437 -4.360 -4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.952 -2.671 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.114 -3.996 -4.821 1.00 0.00 H new ATOM 424 N SER A 32 7.149 -1.691 -3.634 1.00 0.00 N ATOM 425 CA SER A 32 8.271 -0.832 -3.274 1.00 0.00 C ATOM 426 C SER A 32 7.901 0.639 -3.433 1.00 0.00 C ATOM 427 O SER A 32 7.081 0.997 -4.280 1.00 0.00 O ATOM 428 CB SER A 32 9.490 -1.160 -4.138 1.00 0.00 C ATOM 429 OG SER A 32 10.460 -0.130 -4.062 1.00 0.00 O ATOM 0 H SER A 32 7.118 -1.953 -4.619 1.00 0.00 H new ATOM 0 HA SER A 32 8.517 -1.016 -2.228 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.929 -2.102 -3.810 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.180 -1.296 -5.174 1.00 0.00 H new ATOM 0 HG SER A 32 11.230 -0.364 -4.621 1.00 0.00 H new ATOM 435 N CYS A 33 8.512 1.488 -2.613 1.00 0.00 N ATOM 436 CA CYS A 33 8.247 2.922 -2.662 1.00 0.00 C ATOM 437 C CYS A 33 9.378 3.706 -2.005 1.00 0.00 C ATOM 438 O CYS A 33 9.779 3.410 -0.879 1.00 0.00 O ATOM 439 CB CYS A 33 6.921 3.240 -1.970 1.00 0.00 C ATOM 440 SG CYS A 33 6.788 2.584 -0.290 1.00 0.00 S ATOM 0 H CYS A 33 9.193 1.209 -1.907 1.00 0.00 H new ATOM 0 HA CYS A 33 8.183 3.220 -3.709 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.791 4.322 -1.937 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.105 2.839 -2.571 1.00 0.00 H new ATOM 0 HG CYS A 33 7.207 1.354 -0.270 1.00 0.00 H new ATOM 446 N GLU A 34 9.890 4.705 -2.716 1.00 0.00 N ATOM 447 CA GLU A 34 10.977 5.530 -2.202 1.00 0.00 C ATOM 448 C GLU A 34 10.458 6.544 -1.187 1.00 0.00 C ATOM 449 O GLU A 34 9.255 6.795 -1.102 1.00 0.00 O ATOM 450 CB GLU A 34 11.682 6.256 -3.350 1.00 0.00 C ATOM 451 CG GLU A 34 12.320 5.320 -4.362 1.00 0.00 C ATOM 452 CD GLU A 34 13.121 6.059 -5.417 1.00 0.00 C ATOM 453 OE1 GLU A 34 12.584 7.022 -6.003 1.00 0.00 O ATOM 454 OE2 GLU A 34 14.285 5.675 -5.655 1.00 0.00 O ATOM 0 H GLU A 34 9.570 4.963 -3.649 1.00 0.00 H new ATOM 0 HA GLU A 34 11.691 4.875 -1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.962 6.894 -3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.450 6.910 -2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.972 4.618 -3.842 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.542 4.732 -4.848 1.00 0.00 H new ATOM 461 N VAL A 35 11.373 7.123 -0.416 1.00 0.00 N ATOM 462 CA VAL A 35 11.009 8.110 0.594 1.00 0.00 C ATOM 463 C VAL A 35 11.984 9.282 0.593 1.00 0.00 C ATOM 464 O VAL A 35 12.985 9.270 -0.123 1.00 0.00 O ATOM 465 CB VAL A 35 10.975 7.485 2.001 1.00 0.00 C ATOM 466 CG1 VAL A 35 9.676 6.723 2.216 1.00 0.00 C ATOM 467 CG2 VAL A 35 12.177 6.577 2.210 1.00 0.00 C ATOM 0 H VAL A 35 12.372 6.926 -0.472 1.00 0.00 H new ATOM 0 HA VAL A 35 10.012 8.471 0.341 1.00 0.00 H new ATOM 0 HB VAL A 35 11.023 8.287 2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.670 6.288 3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.832 7.405 2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.593 5.928 1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.137 6.144 3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.163 5.779 1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.094 7.157 2.103 1.00 0.00 H new ATOM 477 N ALA A 36 11.685 10.293 1.402 1.00 0.00 N ATOM 478 CA ALA A 36 12.537 11.472 1.497 1.00 0.00 C ATOM 479 C ALA A 36 13.574 11.313 2.603 1.00 0.00 C ATOM 480 O ALA A 36 14.640 11.926 2.558 1.00 0.00 O ATOM 481 CB ALA A 36 11.692 12.715 1.738 1.00 0.00 C ATOM 0 H ALA A 36 10.860 10.319 2.001 1.00 0.00 H new ATOM 0 HA ALA A 36 13.068 11.583 0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.341 13.588 1.807 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.994 12.846 0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.136 12.602 2.668 1.00 0.00 H new ATOM 487 N GLN A 37 13.254 10.486 3.593 1.00 0.00 N ATOM 488 CA GLN A 37 14.159 10.248 4.712 1.00 0.00 C ATOM 489 C GLN A 37 13.983 8.838 5.264 1.00 0.00 C ATOM 490 O GLN A 37 12.884 8.448 5.659 1.00 0.00 O ATOM 491 CB GLN A 37 13.917 11.276 5.818 1.00 0.00 C ATOM 492 CG GLN A 37 14.274 12.698 5.417 1.00 0.00 C ATOM 493 CD GLN A 37 15.769 12.947 5.416 1.00 0.00 C ATOM 494 OE1 GLN A 37 16.478 12.543 6.338 1.00 0.00 O ATOM 495 NE2 GLN A 37 16.257 13.616 4.378 1.00 0.00 N ATOM 0 H GLN A 37 12.376 9.970 3.643 1.00 0.00 H new ATOM 0 HA GLN A 37 15.181 10.350 4.348 1.00 0.00 H new ATOM 0 HB2 GLN A 37 12.867 11.243 6.110 1.00 0.00 H new ATOM 0 HB3 GLN A 37 14.501 10.997 6.695 1.00 0.00 H new ATOM 0 HG2 GLN A 37 13.875 12.902 4.423 1.00 0.00 H new ATOM 0 HG3 GLN A 37 13.794 13.396 6.103 1.00 0.00 H new ATOM 0 HE21 GLN A 37 15.633 13.932 3.636 1.00 0.00 H new ATOM 0 HE22 GLN A 37 17.256 13.814 4.323 1.00 0.00 H new ATOM 504 N ALA A 38 15.072 8.076 5.287 1.00 0.00 N ATOM 505 CA ALA A 38 15.037 6.709 5.792 1.00 0.00 C ATOM 506 C ALA A 38 14.613 6.676 7.256 1.00 0.00 C ATOM 507 O ALA A 38 13.794 5.847 7.655 1.00 0.00 O ATOM 508 CB ALA A 38 16.397 6.049 5.620 1.00 0.00 C ATOM 0 H ALA A 38 15.989 8.382 4.962 1.00 0.00 H new ATOM 0 HA ALA A 38 14.299 6.153 5.214 1.00 0.00 H new ATOM 0 HB1 ALA A 38 16.357 5.029 6.001 1.00 0.00 H new ATOM 0 HB2 ALA A 38 16.662 6.031 4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.148 6.614 6.173 1.00 0.00 H new ATOM 514 N GLN A 39 15.175 7.580 8.052 1.00 0.00 N ATOM 515 CA GLN A 39 14.854 7.652 9.472 1.00 0.00 C ATOM 516 C GLN A 39 13.346 7.719 9.687 1.00 0.00 C ATOM 517 O GLN A 39 12.837 7.309 10.731 1.00 0.00 O ATOM 518 CB GLN A 39 15.526 8.870 10.107 1.00 0.00 C ATOM 519 CG GLN A 39 14.923 10.195 9.670 1.00 0.00 C ATOM 520 CD GLN A 39 15.232 11.324 10.634 1.00 0.00 C ATOM 521 OE1 GLN A 39 16.373 11.490 11.068 1.00 0.00 O ATOM 522 NE2 GLN A 39 14.216 12.108 10.975 1.00 0.00 N ATOM 0 H GLN A 39 15.855 8.272 7.737 1.00 0.00 H new ATOM 0 HA GLN A 39 15.231 6.748 9.950 1.00 0.00 H new ATOM 0 HB2 GLN A 39 15.456 8.789 11.192 1.00 0.00 H new ATOM 0 HB3 GLN A 39 16.586 8.862 9.855 1.00 0.00 H new ATOM 0 HG2 GLN A 39 15.301 10.453 8.681 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.842 10.086 9.579 1.00 0.00 H new ATOM 0 HE21 GLN A 39 13.287 11.934 10.592 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.365 12.884 11.620 1.00 0.00 H new ATOM 531 N THR A 40 12.633 8.239 8.692 1.00 0.00 N ATOM 532 CA THR A 40 11.183 8.362 8.773 1.00 0.00 C ATOM 533 C THR A 40 10.515 6.992 8.777 1.00 0.00 C ATOM 534 O THR A 40 11.001 6.053 8.146 1.00 0.00 O ATOM 535 CB THR A 40 10.624 9.190 7.601 1.00 0.00 C ATOM 536 OG1 THR A 40 11.112 10.534 7.674 1.00 0.00 O ATOM 537 CG2 THR A 40 9.102 9.196 7.621 1.00 0.00 C ATOM 0 H THR A 40 13.037 8.582 7.820 1.00 0.00 H new ATOM 0 HA THR A 40 10.960 8.874 9.709 1.00 0.00 H new ATOM 0 HB THR A 40 10.958 8.733 6.670 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.753 11.053 6.924 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.729 9.787 6.784 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.733 8.174 7.536 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.752 9.632 8.557 1.00 0.00 H new ATOM 545 N GLU A 41 9.399 6.885 9.490 1.00 0.00 N ATOM 546 CA GLU A 41 8.665 5.627 9.575 1.00 0.00 C ATOM 547 C GLU A 41 7.440 5.650 8.665 1.00 0.00 C ATOM 548 O GLU A 41 6.993 6.713 8.233 1.00 0.00 O ATOM 549 CB GLU A 41 8.236 5.358 11.019 1.00 0.00 C ATOM 550 CG GLU A 41 9.389 4.991 11.938 1.00 0.00 C ATOM 551 CD GLU A 41 10.629 5.824 11.679 1.00 0.00 C ATOM 552 OE1 GLU A 41 10.527 7.068 11.716 1.00 0.00 O ATOM 553 OE2 GLU A 41 11.703 5.232 11.440 1.00 0.00 O ATOM 0 H GLU A 41 8.983 7.653 10.017 1.00 0.00 H new ATOM 0 HA GLU A 41 9.327 4.826 9.245 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.737 6.244 11.412 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.504 4.550 11.027 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.078 5.121 12.975 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.631 3.936 11.808 1.00 0.00 H new ATOM 560 N VAL A 42 6.901 4.469 8.378 1.00 0.00 N ATOM 561 CA VAL A 42 5.728 4.353 7.520 1.00 0.00 C ATOM 562 C VAL A 42 4.752 3.315 8.063 1.00 0.00 C ATOM 563 O VAL A 42 5.056 2.598 9.017 1.00 0.00 O ATOM 564 CB VAL A 42 6.121 3.969 6.081 1.00 0.00 C ATOM 565 CG1 VAL A 42 7.293 4.813 5.604 1.00 0.00 C ATOM 566 CG2 VAL A 42 6.453 2.486 5.997 1.00 0.00 C ATOM 0 H VAL A 42 7.258 3.580 8.727 1.00 0.00 H new ATOM 0 HA VAL A 42 5.246 5.330 7.508 1.00 0.00 H new ATOM 0 HB VAL A 42 5.272 4.166 5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.556 4.527 4.586 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.015 5.867 5.625 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.149 4.651 6.259 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.728 2.232 4.973 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.286 2.261 6.663 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.583 1.901 6.294 1.00 0.00 H new ATOM 576 N THR A 43 3.576 3.239 7.448 1.00 0.00 N ATOM 577 CA THR A 43 2.553 2.289 7.869 1.00 0.00 C ATOM 578 C THR A 43 1.556 2.021 6.747 1.00 0.00 C ATOM 579 O THR A 43 0.724 2.870 6.429 1.00 0.00 O ATOM 580 CB THR A 43 1.791 2.797 9.107 1.00 0.00 C ATOM 581 OG1 THR A 43 2.717 3.188 10.127 1.00 0.00 O ATOM 582 CG2 THR A 43 0.858 1.723 9.647 1.00 0.00 C ATOM 0 H THR A 43 3.308 3.824 6.657 1.00 0.00 H new ATOM 0 HA THR A 43 3.067 1.362 8.123 1.00 0.00 H new ATOM 0 HB THR A 43 1.194 3.659 8.810 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.565 2.713 9.999 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.331 2.105 10.521 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.135 1.449 8.878 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.439 0.845 9.929 1.00 0.00 H new ATOM 590 N TRP A 44 1.647 0.837 6.153 1.00 0.00 N ATOM 591 CA TRP A 44 0.751 0.457 5.066 1.00 0.00 C ATOM 592 C TRP A 44 -0.690 0.367 5.555 1.00 0.00 C ATOM 593 O TRP A 44 -0.941 0.160 6.743 1.00 0.00 O ATOM 594 CB TRP A 44 1.184 -0.881 4.466 1.00 0.00 C ATOM 595 CG TRP A 44 2.552 -0.844 3.856 1.00 0.00 C ATOM 596 CD1 TRP A 44 3.741 -1.053 4.497 1.00 0.00 C ATOM 597 CD2 TRP A 44 2.874 -0.581 2.486 1.00 0.00 C ATOM 598 NE1 TRP A 44 4.781 -0.935 3.607 1.00 0.00 N ATOM 599 CE2 TRP A 44 4.276 -0.646 2.367 1.00 0.00 C ATOM 600 CE3 TRP A 44 2.114 -0.298 1.348 1.00 0.00 C ATOM 601 CZ2 TRP A 44 4.930 -0.438 1.156 1.00 0.00 C ATOM 602 CZ3 TRP A 44 2.765 -0.091 0.147 1.00 0.00 C ATOM 603 CH2 TRP A 44 4.161 -0.162 0.058 1.00 0.00 C ATOM 0 H TRP A 44 2.331 0.124 6.405 1.00 0.00 H new ATOM 0 HA TRP A 44 0.806 1.227 4.296 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.162 -1.644 5.244 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.463 -1.180 3.705 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.847 -1.278 5.548 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.770 -1.045 3.833 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.037 -0.242 1.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 6.006 -0.492 1.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.187 0.129 -0.739 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.640 0.004 -0.896 1.00 0.00 H new ATOM 614 N TYR A 45 -1.634 0.522 4.633 1.00 0.00 N ATOM 615 CA TYR A 45 -3.051 0.460 4.972 1.00 0.00 C ATOM 616 C TYR A 45 -3.859 -0.139 3.825 1.00 0.00 C ATOM 617 O TYR A 45 -3.904 0.413 2.726 1.00 0.00 O ATOM 618 CB TYR A 45 -3.578 1.856 5.308 1.00 0.00 C ATOM 619 CG TYR A 45 -3.052 2.404 6.615 1.00 0.00 C ATOM 620 CD1 TYR A 45 -3.548 1.950 7.831 1.00 0.00 C ATOM 621 CD2 TYR A 45 -2.059 3.376 6.634 1.00 0.00 C ATOM 622 CE1 TYR A 45 -3.070 2.448 9.028 1.00 0.00 C ATOM 623 CE2 TYR A 45 -1.575 3.879 7.826 1.00 0.00 C ATOM 624 CZ TYR A 45 -2.084 3.412 9.020 1.00 0.00 C ATOM 625 OH TYR A 45 -1.605 3.911 10.210 1.00 0.00 O ATOM 0 H TYR A 45 -1.444 0.691 3.645 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.162 -0.183 5.845 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.310 2.540 4.503 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.667 1.824 5.349 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.320 1.195 7.841 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.659 3.744 5.701 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.466 2.084 9.965 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.802 4.634 7.823 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.913 4.581 10.029 1.00 0.00 H new ATOM 635 N LYS A 46 -4.498 -1.274 4.090 1.00 0.00 N ATOM 636 CA LYS A 46 -5.307 -1.950 3.083 1.00 0.00 C ATOM 637 C LYS A 46 -6.791 -1.676 3.304 1.00 0.00 C ATOM 638 O LYS A 46 -7.349 -2.027 4.344 1.00 0.00 O ATOM 639 CB LYS A 46 -5.045 -3.457 3.116 1.00 0.00 C ATOM 640 CG LYS A 46 -5.394 -4.164 1.818 1.00 0.00 C ATOM 641 CD LYS A 46 -5.284 -5.673 1.957 1.00 0.00 C ATOM 642 CE LYS A 46 -6.209 -6.391 0.987 1.00 0.00 C ATOM 643 NZ LYS A 46 -7.617 -6.406 1.471 1.00 0.00 N ATOM 0 H LYS A 46 -4.471 -1.745 4.994 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.025 -1.560 2.105 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.993 -3.629 3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.622 -3.900 3.928 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.408 -3.898 1.519 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.728 -3.821 1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.255 -5.982 1.776 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.529 -5.964 2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.165 -5.902 0.014 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.863 -7.415 0.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.065 -7.307 1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.630 -6.301 2.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.142 -5.620 1.037 1.00 0.00 H new ATOM 657 N ASP A 47 -7.425 -1.049 2.320 1.00 0.00 N ATOM 658 CA ASP A 47 -8.846 -0.730 2.406 1.00 0.00 C ATOM 659 C ASP A 47 -9.173 -0.062 3.738 1.00 0.00 C ATOM 660 O ASP A 47 -10.173 -0.384 4.377 1.00 0.00 O ATOM 661 CB ASP A 47 -9.686 -1.997 2.237 1.00 0.00 C ATOM 662 CG ASP A 47 -11.161 -1.695 2.059 1.00 0.00 C ATOM 663 OD1 ASP A 47 -11.551 -1.280 0.947 1.00 0.00 O ATOM 664 OD2 ASP A 47 -11.925 -1.872 3.031 1.00 0.00 O ATOM 0 H ASP A 47 -6.978 -0.751 1.453 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.086 -0.034 1.602 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.326 -2.556 1.373 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.552 -2.637 3.109 1.00 0.00 H new ATOM 669 N GLY A 48 -8.321 0.872 4.151 1.00 0.00 N ATOM 670 CA GLY A 48 -8.536 1.570 5.404 1.00 0.00 C ATOM 671 C GLY A 48 -8.360 0.667 6.609 1.00 0.00 C ATOM 672 O GLY A 48 -9.093 0.779 7.591 1.00 0.00 O ATOM 0 H GLY A 48 -7.486 1.157 3.640 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.839 2.405 5.475 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.541 1.992 5.414 1.00 0.00 H new ATOM 676 N LYS A 49 -7.386 -0.234 6.534 1.00 0.00 N ATOM 677 CA LYS A 49 -7.115 -1.162 7.625 1.00 0.00 C ATOM 678 C LYS A 49 -5.618 -1.258 7.898 1.00 0.00 C ATOM 679 O LYS A 49 -4.830 -1.559 7.001 1.00 0.00 O ATOM 680 CB LYS A 49 -7.674 -2.547 7.295 1.00 0.00 C ATOM 681 CG LYS A 49 -9.179 -2.563 7.088 1.00 0.00 C ATOM 682 CD LYS A 49 -9.922 -2.682 8.408 1.00 0.00 C ATOM 683 CE LYS A 49 -9.864 -4.100 8.954 1.00 0.00 C ATOM 684 NZ LYS A 49 -10.816 -5.004 8.252 1.00 0.00 N ATOM 0 H LYS A 49 -6.771 -0.341 5.728 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.606 -0.783 8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.188 -2.920 6.394 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.420 -3.234 8.102 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.487 -1.651 6.577 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.449 -3.397 6.441 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.489 -1.994 9.134 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.962 -2.387 8.269 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.851 -4.488 8.850 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.093 -4.088 10.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.771 -5.953 8.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.782 -4.630 8.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.561 -5.062 7.245 1.00 0.00 H new ATOM 698 N LYS A 50 -5.231 -1.002 9.143 1.00 0.00 N ATOM 699 CA LYS A 50 -3.828 -1.063 9.537 1.00 0.00 C ATOM 700 C LYS A 50 -3.234 -2.433 9.226 1.00 0.00 C ATOM 701 O LYS A 50 -3.605 -3.435 9.839 1.00 0.00 O ATOM 702 CB LYS A 50 -3.682 -0.759 11.029 1.00 0.00 C ATOM 703 CG LYS A 50 -2.288 -0.302 11.423 1.00 0.00 C ATOM 704 CD LYS A 50 -2.265 0.268 12.831 1.00 0.00 C ATOM 705 CE LYS A 50 -0.850 0.612 13.271 1.00 0.00 C ATOM 706 NZ LYS A 50 -0.839 1.622 14.365 1.00 0.00 N ATOM 0 H LYS A 50 -5.870 -0.750 9.897 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.283 -0.312 8.965 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.400 0.013 11.306 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.938 -1.652 11.600 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.597 -1.142 11.358 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.939 0.453 10.718 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.887 1.162 12.873 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.697 -0.454 13.524 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.344 -0.293 13.607 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.287 0.994 12.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.143 1.829 14.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.299 2.495 14.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.354 1.248 15.188 1.00 0.00 H new ATOM 720 N LEU A 51 -2.310 -2.470 8.272 1.00 0.00 N ATOM 721 CA LEU A 51 -1.664 -3.718 7.881 1.00 0.00 C ATOM 722 C LEU A 51 -0.622 -4.138 8.912 1.00 0.00 C ATOM 723 O LEU A 51 0.050 -3.296 9.509 1.00 0.00 O ATOM 724 CB LEU A 51 -1.007 -3.566 6.508 1.00 0.00 C ATOM 725 CG LEU A 51 -1.936 -3.699 5.301 1.00 0.00 C ATOM 726 CD1 LEU A 51 -1.264 -3.160 4.047 1.00 0.00 C ATOM 727 CD2 LEU A 51 -2.350 -5.150 5.104 1.00 0.00 C ATOM 0 H LEU A 51 -1.991 -1.650 7.755 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.428 -4.493 7.828 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.525 -2.589 6.464 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.220 -4.314 6.419 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.832 -3.108 5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.941 -3.263 3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.019 -2.108 4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.351 -3.722 3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.011 -5.226 4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.463 -5.762 4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.872 -5.503 5.993 1.00 0.00 H new ATOM 739 N SER A 52 -0.490 -5.445 9.115 1.00 0.00 N ATOM 740 CA SER A 52 0.469 -5.976 10.076 1.00 0.00 C ATOM 741 C SER A 52 1.502 -6.859 9.380 1.00 0.00 C ATOM 742 O SER A 52 1.196 -7.533 8.397 1.00 0.00 O ATOM 743 CB SER A 52 -0.253 -6.776 11.161 1.00 0.00 C ATOM 744 OG SER A 52 0.659 -7.255 12.134 1.00 0.00 O ATOM 0 H SER A 52 -1.035 -6.155 8.627 1.00 0.00 H new ATOM 0 HA SER A 52 0.986 -5.135 10.538 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.005 -6.149 11.640 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.780 -7.615 10.708 1.00 0.00 H new ATOM 0 HG SER A 52 0.172 -7.762 12.817 1.00 0.00 H new ATOM 750 N SER A 53 2.726 -6.848 9.899 1.00 0.00 N ATOM 751 CA SER A 53 3.805 -7.643 9.327 1.00 0.00 C ATOM 752 C SER A 53 3.767 -9.073 9.857 1.00 0.00 C ATOM 753 O SER A 53 4.419 -9.397 10.849 1.00 0.00 O ATOM 754 CB SER A 53 5.160 -7.006 9.643 1.00 0.00 C ATOM 755 OG SER A 53 6.210 -7.949 9.512 1.00 0.00 O ATOM 0 H SER A 53 2.994 -6.297 10.714 1.00 0.00 H new ATOM 0 HA SER A 53 3.668 -7.671 8.246 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.336 -6.166 8.971 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.150 -6.607 10.657 1.00 0.00 H new ATOM 0 HG SER A 53 6.139 -8.619 10.224 1.00 0.00 H new ATOM 761 N SER A 54 2.996 -9.925 9.188 1.00 0.00 N ATOM 762 CA SER A 54 2.868 -11.320 9.594 1.00 0.00 C ATOM 763 C SER A 54 3.525 -12.245 8.573 1.00 0.00 C ATOM 764 O SER A 54 3.920 -11.812 7.491 1.00 0.00 O ATOM 765 CB SER A 54 1.393 -11.691 9.760 1.00 0.00 C ATOM 766 OG SER A 54 1.228 -12.688 10.755 1.00 0.00 O ATOM 0 H SER A 54 2.451 -9.674 8.363 1.00 0.00 H new ATOM 0 HA SER A 54 3.376 -11.443 10.550 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.820 -10.804 10.030 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.996 -12.050 8.811 1.00 0.00 H new ATOM 0 HG SER A 54 0.277 -12.907 10.844 1.00 0.00 H new ATOM 772 N SER A 55 3.638 -13.521 8.927 1.00 0.00 N ATOM 773 CA SER A 55 4.250 -14.508 8.044 1.00 0.00 C ATOM 774 C SER A 55 3.843 -14.266 6.594 1.00 0.00 C ATOM 775 O SER A 55 4.595 -14.567 5.667 1.00 0.00 O ATOM 776 CB SER A 55 3.848 -15.922 8.469 1.00 0.00 C ATOM 777 OG SER A 55 4.761 -16.883 7.969 1.00 0.00 O ATOM 0 H SER A 55 3.314 -13.896 9.819 1.00 0.00 H new ATOM 0 HA SER A 55 5.333 -14.407 8.121 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.812 -15.982 9.557 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.845 -16.144 8.104 1.00 0.00 H new ATOM 0 HG SER A 55 4.483 -17.778 8.255 1.00 0.00 H new ATOM 783 N LYS A 56 2.647 -13.718 6.405 1.00 0.00 N ATOM 784 CA LYS A 56 2.138 -13.433 5.068 1.00 0.00 C ATOM 785 C LYS A 56 2.717 -12.128 4.533 1.00 0.00 C ATOM 786 O LYS A 56 3.424 -12.117 3.525 1.00 0.00 O ATOM 787 CB LYS A 56 0.610 -13.355 5.088 1.00 0.00 C ATOM 788 CG LYS A 56 -0.034 -13.711 3.759 1.00 0.00 C ATOM 789 CD LYS A 56 -0.222 -15.212 3.615 1.00 0.00 C ATOM 790 CE LYS A 56 -1.487 -15.685 4.315 1.00 0.00 C ATOM 791 NZ LYS A 56 -1.596 -17.170 4.317 1.00 0.00 N ATOM 0 H LYS A 56 2.012 -13.462 7.161 1.00 0.00 H new ATOM 0 HA LYS A 56 2.446 -14.244 4.408 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.230 -14.027 5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.310 -12.346 5.369 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.000 -13.213 3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.586 -13.341 2.942 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.270 -15.474 2.558 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.642 -15.730 4.033 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.493 -15.319 5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.358 -15.257 3.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.471 -17.453 4.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.616 -17.518 3.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.777 -17.578 4.812 1.00 0.00 H new ATOM 805 N VAL A 57 2.415 -11.027 5.215 1.00 0.00 N ATOM 806 CA VAL A 57 2.908 -9.716 4.809 1.00 0.00 C ATOM 807 C VAL A 57 4.049 -9.256 5.708 1.00 0.00 C ATOM 808 O VAL A 57 3.993 -9.410 6.928 1.00 0.00 O ATOM 809 CB VAL A 57 1.786 -8.661 4.840 1.00 0.00 C ATOM 810 CG1 VAL A 57 2.319 -7.303 4.409 1.00 0.00 C ATOM 811 CG2 VAL A 57 0.625 -9.092 3.958 1.00 0.00 C ATOM 0 H VAL A 57 1.831 -11.017 6.051 1.00 0.00 H new ATOM 0 HA VAL A 57 3.273 -9.817 3.787 1.00 0.00 H new ATOM 0 HB VAL A 57 1.421 -8.573 5.863 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.513 -6.570 4.437 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.115 -6.993 5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.712 -7.372 3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.158 -8.335 3.992 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.972 -9.209 2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.228 -10.041 4.317 1.00 0.00 H new ATOM 821 N ARG A 58 5.085 -8.689 5.097 1.00 0.00 N ATOM 822 CA ARG A 58 6.241 -8.207 5.843 1.00 0.00 C ATOM 823 C ARG A 58 6.634 -6.804 5.388 1.00 0.00 C ATOM 824 O ARG A 58 6.814 -6.554 4.197 1.00 0.00 O ATOM 825 CB ARG A 58 7.423 -9.161 5.666 1.00 0.00 C ATOM 826 CG ARG A 58 8.711 -8.660 6.300 1.00 0.00 C ATOM 827 CD ARG A 58 9.720 -9.784 6.475 1.00 0.00 C ATOM 828 NE ARG A 58 9.388 -10.646 7.606 1.00 0.00 N ATOM 829 CZ ARG A 58 9.574 -10.297 8.875 1.00 0.00 C ATOM 830 NH1 ARG A 58 10.085 -9.111 9.172 1.00 0.00 N ATOM 831 NH2 ARG A 58 9.247 -11.137 9.849 1.00 0.00 N ATOM 0 H ARG A 58 5.147 -8.552 4.088 1.00 0.00 H new ATOM 0 HA ARG A 58 5.970 -8.167 6.898 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.167 -10.128 6.100 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.591 -9.324 4.601 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.143 -7.876 5.678 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.491 -8.213 7.269 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.760 -10.381 5.564 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.713 -9.360 6.622 1.00 0.00 H new ATOM 0 HE ARG A 58 8.992 -11.566 7.412 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.337 -8.463 8.426 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.226 -8.846 10.147 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.853 -12.050 9.624 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.390 -10.869 10.823 1.00 0.00 H new ATOM 845 N VAL A 59 6.764 -5.892 6.346 1.00 0.00 N ATOM 846 CA VAL A 59 7.135 -4.514 6.045 1.00 0.00 C ATOM 847 C VAL A 59 8.648 -4.331 6.091 1.00 0.00 C ATOM 848 O VAL A 59 9.233 -4.185 7.164 1.00 0.00 O ATOM 849 CB VAL A 59 6.479 -3.528 7.030 1.00 0.00 C ATOM 850 CG1 VAL A 59 6.936 -2.105 6.745 1.00 0.00 C ATOM 851 CG2 VAL A 59 4.964 -3.634 6.959 1.00 0.00 C ATOM 0 H VAL A 59 6.618 -6.082 7.337 1.00 0.00 H new ATOM 0 HA VAL A 59 6.776 -4.302 5.038 1.00 0.00 H new ATOM 0 HB VAL A 59 6.792 -3.789 8.041 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.462 -1.423 7.451 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.019 -2.043 6.851 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.655 -1.829 5.729 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.517 -2.931 7.661 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.630 -3.400 5.948 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.658 -4.648 7.216 1.00 0.00 H new ATOM 861 N GLU A 60 9.276 -4.338 4.919 1.00 0.00 N ATOM 862 CA GLU A 60 10.721 -4.172 4.827 1.00 0.00 C ATOM 863 C GLU A 60 11.089 -2.706 4.621 1.00 0.00 C ATOM 864 O GLU A 60 10.421 -1.986 3.879 1.00 0.00 O ATOM 865 CB GLU A 60 11.281 -5.016 3.679 1.00 0.00 C ATOM 866 CG GLU A 60 11.215 -6.512 3.935 1.00 0.00 C ATOM 867 CD GLU A 60 9.920 -7.131 3.447 1.00 0.00 C ATOM 868 OE1 GLU A 60 9.071 -6.388 2.911 1.00 0.00 O ATOM 869 OE2 GLU A 60 9.755 -8.359 3.601 1.00 0.00 O ATOM 0 H GLU A 60 8.807 -4.457 4.021 1.00 0.00 H new ATOM 0 HA GLU A 60 11.160 -4.510 5.766 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.728 -4.787 2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.318 -4.732 3.503 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.055 -6.999 3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.323 -6.699 5.003 1.00 0.00 H new ATOM 876 N ALA A 61 12.155 -2.271 5.284 1.00 0.00 N ATOM 877 CA ALA A 61 12.613 -0.891 5.174 1.00 0.00 C ATOM 878 C ALA A 61 14.112 -0.830 4.901 1.00 0.00 C ATOM 879 O ALA A 61 14.923 -0.841 5.827 1.00 0.00 O ATOM 880 CB ALA A 61 12.273 -0.119 6.440 1.00 0.00 C ATOM 0 H ALA A 61 12.718 -2.854 5.903 1.00 0.00 H new ATOM 0 HA ALA A 61 12.098 -0.430 4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.621 0.909 6.343 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.193 -0.124 6.591 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.761 -0.588 7.294 1.00 0.00 H new ATOM 886 N VAL A 62 14.475 -0.767 3.624 1.00 0.00 N ATOM 887 CA VAL A 62 15.877 -0.704 3.229 1.00 0.00 C ATOM 888 C VAL A 62 16.273 0.713 2.830 1.00 0.00 C ATOM 889 O VAL A 62 15.477 1.645 2.939 1.00 0.00 O ATOM 890 CB VAL A 62 16.173 -1.657 2.056 1.00 0.00 C ATOM 891 CG1 VAL A 62 16.477 -3.057 2.569 1.00 0.00 C ATOM 892 CG2 VAL A 62 15.006 -1.680 1.081 1.00 0.00 C ATOM 0 H VAL A 62 13.817 -0.758 2.845 1.00 0.00 H new ATOM 0 HA VAL A 62 16.463 -1.012 4.095 1.00 0.00 H new ATOM 0 HB VAL A 62 17.052 -1.291 1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 62 16.684 -3.716 1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 62 17.347 -3.023 3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 62 15.619 -3.436 3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.232 -2.358 0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 62 14.108 -2.021 1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 62 14.840 -0.677 0.689 1.00 0.00 H new ATOM 902 N GLY A 63 17.509 0.868 2.367 1.00 0.00 N ATOM 903 CA GLY A 63 17.990 2.175 1.958 1.00 0.00 C ATOM 904 C GLY A 63 16.899 3.025 1.336 1.00 0.00 C ATOM 905 O GLY A 63 16.554 2.845 0.167 1.00 0.00 O ATOM 0 H GLY A 63 18.186 0.112 2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.402 2.694 2.823 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.803 2.052 1.243 1.00 0.00 H new ATOM 909 N CYS A 64 16.356 3.952 2.117 1.00 0.00 N ATOM 910 CA CYS A 64 15.296 4.831 1.636 1.00 0.00 C ATOM 911 C CYS A 64 14.388 4.101 0.652 1.00 0.00 C ATOM 912 O CYS A 64 14.149 4.575 -0.459 1.00 0.00 O ATOM 913 CB CYS A 64 15.896 6.071 0.972 1.00 0.00 C ATOM 914 SG CYS A 64 16.872 7.107 2.087 1.00 0.00 S ATOM 0 H CYS A 64 16.632 4.114 3.085 1.00 0.00 H new ATOM 0 HA CYS A 64 14.697 5.140 2.493 1.00 0.00 H new ATOM 0 HB2 CYS A 64 16.527 5.755 0.141 1.00 0.00 H new ATOM 0 HB3 CYS A 64 15.089 6.670 0.550 1.00 0.00 H new ATOM 0 HG CYS A 64 17.339 8.129 1.433 1.00 0.00 H new ATOM 920 N THR A 65 13.885 2.942 1.066 1.00 0.00 N ATOM 921 CA THR A 65 13.006 2.144 0.221 1.00 0.00 C ATOM 922 C THR A 65 12.142 1.207 1.056 1.00 0.00 C ATOM 923 O THR A 65 12.644 0.262 1.665 1.00 0.00 O ATOM 924 CB THR A 65 13.809 1.313 -0.798 1.00 0.00 C ATOM 925 OG1 THR A 65 14.248 2.148 -1.875 1.00 0.00 O ATOM 926 CG2 THR A 65 12.968 0.170 -1.346 1.00 0.00 C ATOM 0 H THR A 65 14.072 2.535 1.982 1.00 0.00 H new ATOM 0 HA THR A 65 12.364 2.842 -0.316 1.00 0.00 H new ATOM 0 HB THR A 65 14.676 0.893 -0.288 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.175 3.089 -1.610 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.556 -0.403 -2.063 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.660 -0.481 -0.527 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.084 0.573 -1.841 1.00 0.00 H new ATOM 934 N ARG A 66 10.840 1.475 1.081 1.00 0.00 N ATOM 935 CA ARG A 66 9.906 0.655 1.842 1.00 0.00 C ATOM 936 C ARG A 66 9.153 -0.305 0.926 1.00 0.00 C ATOM 937 O ARG A 66 8.296 0.111 0.145 1.00 0.00 O ATOM 938 CB ARG A 66 8.914 1.542 2.596 1.00 0.00 C ATOM 939 CG ARG A 66 9.578 2.603 3.458 1.00 0.00 C ATOM 940 CD ARG A 66 10.191 1.999 4.712 1.00 0.00 C ATOM 941 NE ARG A 66 11.029 2.958 5.427 1.00 0.00 N ATOM 942 CZ ARG A 66 12.295 3.207 5.111 1.00 0.00 C ATOM 943 NH1 ARG A 66 12.865 2.573 4.096 1.00 0.00 N ATOM 944 NH2 ARG A 66 12.992 4.094 5.810 1.00 0.00 N ATOM 0 H ARG A 66 10.409 2.254 0.583 1.00 0.00 H new ATOM 0 HA ARG A 66 10.478 0.069 2.561 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.256 2.030 1.877 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.286 0.914 3.228 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.352 3.110 2.881 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.843 3.358 3.738 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.397 1.649 5.371 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.787 1.128 4.441 1.00 0.00 H new ATOM 0 HE ARG A 66 10.620 3.464 6.212 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.331 1.892 3.556 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.837 2.766 3.855 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.556 4.585 6.590 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.964 4.285 5.567 1.00 0.00 H new ATOM 958 N ARG A 67 9.478 -1.590 1.027 1.00 0.00 N ATOM 959 CA ARG A 67 8.833 -2.608 0.206 1.00 0.00 C ATOM 960 C ARG A 67 7.938 -3.504 1.056 1.00 0.00 C ATOM 961 O ARG A 67 8.249 -3.795 2.212 1.00 0.00 O ATOM 962 CB ARG A 67 9.885 -3.454 -0.513 1.00 0.00 C ATOM 963 CG ARG A 67 10.620 -4.419 0.402 1.00 0.00 C ATOM 964 CD ARG A 67 11.522 -5.357 -0.386 1.00 0.00 C ATOM 965 NE ARG A 67 12.523 -5.997 0.464 1.00 0.00 N ATOM 966 CZ ARG A 67 13.247 -7.044 0.086 1.00 0.00 C ATOM 967 NH1 ARG A 67 13.082 -7.567 -1.121 1.00 0.00 N ATOM 968 NH2 ARG A 67 14.138 -7.571 0.916 1.00 0.00 N ATOM 0 H ARG A 67 10.184 -1.951 1.669 1.00 0.00 H new ATOM 0 HA ARG A 67 8.213 -2.103 -0.535 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.402 -4.019 -1.310 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.610 -2.792 -0.986 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.217 -3.857 1.121 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.898 -5.002 0.973 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.915 -6.122 -0.870 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.022 -4.799 -1.178 1.00 0.00 H new ATOM 0 HE ARG A 67 12.674 -5.619 1.399 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.398 -7.165 -1.762 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.639 -8.371 -1.409 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.267 -7.172 1.846 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.693 -8.375 0.624 1.00 0.00 H new ATOM 982 N LEU A 68 6.824 -3.939 0.476 1.00 0.00 N ATOM 983 CA LEU A 68 5.883 -4.803 1.180 1.00 0.00 C ATOM 984 C LEU A 68 5.741 -6.146 0.472 1.00 0.00 C ATOM 985 O LEU A 68 5.139 -6.236 -0.598 1.00 0.00 O ATOM 986 CB LEU A 68 4.516 -4.122 1.284 1.00 0.00 C ATOM 987 CG LEU A 68 3.539 -4.730 2.291 1.00 0.00 C ATOM 988 CD1 LEU A 68 3.776 -4.155 3.679 1.00 0.00 C ATOM 989 CD2 LEU A 68 2.102 -4.491 1.851 1.00 0.00 C ATOM 0 H LEU A 68 6.551 -3.708 -0.479 1.00 0.00 H new ATOM 0 HA LEU A 68 6.272 -4.981 2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.673 -3.076 1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.049 -4.138 0.299 1.00 0.00 H new ATOM 0 HG LEU A 68 3.711 -5.806 2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.072 -4.599 4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.795 -4.378 3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.632 -3.075 3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.421 -4.930 2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.916 -3.419 1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.938 -4.952 0.877 1.00 0.00 H new ATOM 1001 N VAL A 69 6.300 -7.190 1.076 1.00 0.00 N ATOM 1002 CA VAL A 69 6.234 -8.530 0.505 1.00 0.00 C ATOM 1003 C VAL A 69 4.990 -9.270 0.985 1.00 0.00 C ATOM 1004 O VAL A 69 4.860 -9.587 2.167 1.00 0.00 O ATOM 1005 CB VAL A 69 7.482 -9.357 0.868 1.00 0.00 C ATOM 1006 CG1 VAL A 69 7.461 -10.697 0.150 1.00 0.00 C ATOM 1007 CG2 VAL A 69 8.748 -8.583 0.534 1.00 0.00 C ATOM 0 H VAL A 69 6.804 -7.133 1.961 1.00 0.00 H new ATOM 0 HA VAL A 69 6.188 -8.412 -0.578 1.00 0.00 H new ATOM 0 HB VAL A 69 7.472 -9.547 1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.350 -11.268 0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.571 -11.253 0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.447 -10.532 -0.927 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.620 -9.181 0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.768 -8.361 -0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.764 -7.651 1.099 1.00 0.00 H new ATOM 1017 N VAL A 70 4.077 -9.544 0.058 1.00 0.00 N ATOM 1018 CA VAL A 70 2.844 -10.250 0.385 1.00 0.00 C ATOM 1019 C VAL A 70 2.888 -11.691 -0.110 1.00 0.00 C ATOM 1020 O VAL A 70 2.601 -11.967 -1.274 1.00 0.00 O ATOM 1021 CB VAL A 70 1.617 -9.546 -0.225 1.00 0.00 C ATOM 1022 CG1 VAL A 70 0.352 -10.344 0.051 1.00 0.00 C ATOM 1023 CG2 VAL A 70 1.492 -8.130 0.314 1.00 0.00 C ATOM 0 H VAL A 70 4.168 -9.288 -0.925 1.00 0.00 H new ATOM 0 HA VAL A 70 2.754 -10.245 1.471 1.00 0.00 H new ATOM 0 HB VAL A 70 1.753 -9.488 -1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.504 -9.832 -0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.445 -11.337 -0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.208 -10.436 1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.620 -7.648 -0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.379 -8.162 1.398 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.388 -7.563 0.059 1.00 0.00 H new ATOM 1033 N GLN A 71 3.248 -12.607 0.784 1.00 0.00 N ATOM 1034 CA GLN A 71 3.329 -14.021 0.438 1.00 0.00 C ATOM 1035 C GLN A 71 1.940 -14.604 0.201 1.00 0.00 C ATOM 1036 O GLN A 71 1.000 -14.311 0.940 1.00 0.00 O ATOM 1037 CB GLN A 71 4.040 -14.799 1.547 1.00 0.00 C ATOM 1038 CG GLN A 71 5.444 -14.294 1.840 1.00 0.00 C ATOM 1039 CD GLN A 71 6.268 -15.290 2.632 1.00 0.00 C ATOM 1040 OE1 GLN A 71 5.767 -16.332 3.054 1.00 0.00 O ATOM 1041 NE2 GLN A 71 7.541 -14.974 2.838 1.00 0.00 N ATOM 0 H GLN A 71 3.488 -12.395 1.752 1.00 0.00 H new ATOM 0 HA GLN A 71 3.903 -14.111 -0.484 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.445 -14.742 2.458 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.092 -15.851 1.266 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.951 -14.075 0.900 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.381 -13.358 2.394 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.915 -14.099 2.470 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.145 -15.606 3.364 1.00 0.00 H new ATOM 1050 N GLN A 72 1.819 -15.430 -0.833 1.00 0.00 N ATOM 1051 CA GLN A 72 0.543 -16.053 -1.166 1.00 0.00 C ATOM 1052 C GLN A 72 -0.508 -14.999 -1.495 1.00 0.00 C ATOM 1053 O GLN A 72 -1.648 -15.081 -1.037 1.00 0.00 O ATOM 1054 CB GLN A 72 0.061 -16.929 -0.008 1.00 0.00 C ATOM 1055 CG GLN A 72 0.624 -18.341 -0.038 1.00 0.00 C ATOM 1056 CD GLN A 72 0.059 -19.217 1.063 1.00 0.00 C ATOM 1057 OE1 GLN A 72 0.800 -19.745 1.893 1.00 0.00 O ATOM 1058 NE2 GLN A 72 -1.259 -19.376 1.076 1.00 0.00 N ATOM 0 H GLN A 72 2.588 -15.683 -1.454 1.00 0.00 H new ATOM 0 HA GLN A 72 0.691 -16.678 -2.047 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.338 -16.456 0.934 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.028 -16.980 -0.031 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.407 -18.794 -1.005 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.709 -18.298 0.058 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.835 -18.920 0.368 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -1.696 -19.955 1.794 1.00 0.00 H new ATOM 1067 N ALA A 73 -0.118 -14.008 -2.290 1.00 0.00 N ATOM 1068 CA ALA A 73 -1.027 -12.938 -2.681 1.00 0.00 C ATOM 1069 C ALA A 73 -2.322 -13.502 -3.257 1.00 0.00 C ATOM 1070 O ALA A 73 -2.376 -13.893 -4.422 1.00 0.00 O ATOM 1071 CB ALA A 73 -0.356 -12.017 -3.688 1.00 0.00 C ATOM 0 H ALA A 73 0.822 -13.924 -2.676 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.277 -12.362 -1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.047 -11.223 -3.971 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.537 -11.580 -3.242 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.077 -12.588 -4.574 1.00 0.00 H new ATOM 1077 N GLY A 74 -3.364 -13.541 -2.432 1.00 0.00 N ATOM 1078 CA GLY A 74 -4.644 -14.059 -2.878 1.00 0.00 C ATOM 1079 C GLY A 74 -5.724 -12.995 -2.902 1.00 0.00 C ATOM 1080 O GLY A 74 -5.489 -11.856 -2.500 1.00 0.00 O ATOM 0 H GLY A 74 -3.344 -13.223 -1.463 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.533 -14.482 -3.876 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.953 -14.871 -2.220 1.00 0.00 H new ATOM 1084 N GLN A 75 -6.909 -13.368 -3.375 1.00 0.00 N ATOM 1085 CA GLN A 75 -8.027 -12.435 -3.452 1.00 0.00 C ATOM 1086 C GLN A 75 -7.998 -11.453 -2.286 1.00 0.00 C ATOM 1087 O GLN A 75 -7.785 -10.256 -2.476 1.00 0.00 O ATOM 1088 CB GLN A 75 -9.354 -13.197 -3.459 1.00 0.00 C ATOM 1089 CG GLN A 75 -9.601 -13.977 -4.740 1.00 0.00 C ATOM 1090 CD GLN A 75 -8.994 -15.366 -4.704 1.00 0.00 C ATOM 1091 OE1 GLN A 75 -9.434 -16.229 -3.944 1.00 0.00 O ATOM 1092 NE2 GLN A 75 -7.977 -15.590 -5.529 1.00 0.00 N ATOM 0 H GLN A 75 -7.119 -14.308 -3.710 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.934 -11.871 -4.380 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.372 -13.886 -2.615 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.170 -12.490 -3.311 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.675 -14.058 -4.910 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.185 -13.425 -5.583 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -7.644 -14.846 -6.142 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -7.529 -16.506 -5.549 1.00 0.00 H new ATOM 1101 N ALA A 76 -8.212 -11.967 -1.080 1.00 0.00 N ATOM 1102 CA ALA A 76 -8.209 -11.135 0.117 1.00 0.00 C ATOM 1103 C ALA A 76 -7.092 -10.098 0.062 1.00 0.00 C ATOM 1104 O ALA A 76 -7.338 -8.901 0.200 1.00 0.00 O ATOM 1105 CB ALA A 76 -8.067 -12.000 1.361 1.00 0.00 C ATOM 0 H ALA A 76 -8.390 -12.956 -0.906 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.160 -10.605 0.163 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.066 -11.365 2.247 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.902 -12.699 1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.131 -12.556 1.312 1.00 0.00 H new ATOM 1111 N GLU A 77 -5.865 -10.568 -0.141 1.00 0.00 N ATOM 1112 CA GLU A 77 -4.710 -9.680 -0.212 1.00 0.00 C ATOM 1113 C GLU A 77 -4.903 -8.624 -1.297 1.00 0.00 C ATOM 1114 O GLU A 77 -4.564 -7.456 -1.108 1.00 0.00 O ATOM 1115 CB GLU A 77 -3.437 -10.483 -0.488 1.00 0.00 C ATOM 1116 CG GLU A 77 -2.890 -11.195 0.738 1.00 0.00 C ATOM 1117 CD GLU A 77 -3.024 -10.368 2.002 1.00 0.00 C ATOM 1118 OE1 GLU A 77 -2.096 -9.589 2.302 1.00 0.00 O ATOM 1119 OE2 GLU A 77 -4.058 -10.501 2.690 1.00 0.00 O ATOM 0 H GLU A 77 -5.645 -11.557 -0.259 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.611 -9.176 0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.643 -11.220 -1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.672 -9.813 -0.880 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.416 -12.140 0.869 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.839 -11.435 0.575 1.00 0.00 H new ATOM 1126 N ALA A 78 -5.448 -9.044 -2.434 1.00 0.00 N ATOM 1127 CA ALA A 78 -5.688 -8.135 -3.548 1.00 0.00 C ATOM 1128 C ALA A 78 -6.629 -7.006 -3.143 1.00 0.00 C ATOM 1129 O ALA A 78 -7.755 -7.248 -2.710 1.00 0.00 O ATOM 1130 CB ALA A 78 -6.254 -8.896 -4.737 1.00 0.00 C ATOM 0 H ALA A 78 -5.732 -10.008 -2.608 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.734 -7.692 -3.835 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.428 -8.205 -5.562 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.545 -9.662 -5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.195 -9.367 -4.453 1.00 0.00 H new ATOM 1136 N GLY A 79 -6.160 -5.770 -3.286 1.00 0.00 N ATOM 1137 CA GLY A 79 -6.973 -4.622 -2.930 1.00 0.00 C ATOM 1138 C GLY A 79 -6.261 -3.307 -3.181 1.00 0.00 C ATOM 1139 O GLY A 79 -5.785 -3.054 -4.287 1.00 0.00 O ATOM 0 H GLY A 79 -5.231 -5.543 -3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.900 -4.645 -3.503 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.248 -4.688 -1.877 1.00 0.00 H new ATOM 1143 N GLU A 80 -6.191 -2.468 -2.153 1.00 0.00 N ATOM 1144 CA GLU A 80 -5.534 -1.171 -2.270 1.00 0.00 C ATOM 1145 C GLU A 80 -4.655 -0.895 -1.053 1.00 0.00 C ATOM 1146 O GLU A 80 -5.155 -0.682 0.052 1.00 0.00 O ATOM 1147 CB GLU A 80 -6.575 -0.060 -2.423 1.00 0.00 C ATOM 1148 CG GLU A 80 -7.095 0.095 -3.843 1.00 0.00 C ATOM 1149 CD GLU A 80 -8.214 1.114 -3.946 1.00 0.00 C ATOM 1150 OE1 GLU A 80 -7.912 2.326 -3.954 1.00 0.00 O ATOM 1151 OE2 GLU A 80 -9.389 0.699 -4.019 1.00 0.00 O ATOM 0 H GLU A 80 -6.581 -2.662 -1.231 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.901 -1.191 -3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.414 -0.266 -1.758 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.137 0.884 -2.100 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.275 0.394 -4.496 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.453 -0.870 -4.202 1.00 0.00 H new ATOM 1158 N TYR A 81 -3.344 -0.900 -1.265 1.00 0.00 N ATOM 1159 CA TYR A 81 -2.394 -0.654 -0.187 1.00 0.00 C ATOM 1160 C TYR A 81 -1.952 0.806 -0.174 1.00 0.00 C ATOM 1161 O TYR A 81 -1.619 1.375 -1.214 1.00 0.00 O ATOM 1162 CB TYR A 81 -1.175 -1.566 -0.334 1.00 0.00 C ATOM 1163 CG TYR A 81 -1.481 -3.028 -0.095 1.00 0.00 C ATOM 1164 CD1 TYR A 81 -2.371 -3.714 -0.912 1.00 0.00 C ATOM 1165 CD2 TYR A 81 -0.881 -3.722 0.948 1.00 0.00 C ATOM 1166 CE1 TYR A 81 -2.654 -5.049 -0.697 1.00 0.00 C ATOM 1167 CE2 TYR A 81 -1.156 -5.057 1.170 1.00 0.00 C ATOM 1168 CZ TYR A 81 -2.043 -5.716 0.345 1.00 0.00 C ATOM 1169 OH TYR A 81 -2.322 -7.046 0.563 1.00 0.00 O ATOM 0 H TYR A 81 -2.915 -1.072 -2.174 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.891 -0.873 0.758 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.763 -1.449 -1.336 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.405 -1.245 0.367 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.850 -3.195 -1.729 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.187 -3.208 1.597 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.349 -5.567 -1.341 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.679 -5.582 1.985 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.098 -7.310 0.026 1.00 0.00 H new ATOM 1179 N SER A 82 -1.950 1.407 1.012 1.00 0.00 N ATOM 1180 CA SER A 82 -1.552 2.801 1.162 1.00 0.00 C ATOM 1181 C SER A 82 -0.436 2.940 2.193 1.00 0.00 C ATOM 1182 O SER A 82 -0.659 2.774 3.392 1.00 0.00 O ATOM 1183 CB SER A 82 -2.753 3.655 1.576 1.00 0.00 C ATOM 1184 OG SER A 82 -3.819 3.516 0.653 1.00 0.00 O ATOM 0 H SER A 82 -2.220 0.950 1.883 1.00 0.00 H new ATOM 0 HA SER A 82 -1.180 3.152 0.200 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.088 3.360 2.570 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.455 4.702 1.638 1.00 0.00 H new ATOM 0 HG SER A 82 -4.575 4.070 0.940 1.00 0.00 H new ATOM 1190 N CYS A 83 0.766 3.244 1.716 1.00 0.00 N ATOM 1191 CA CYS A 83 1.919 3.405 2.595 1.00 0.00 C ATOM 1192 C CYS A 83 1.964 4.812 3.181 1.00 0.00 C ATOM 1193 O CYS A 83 2.485 5.737 2.559 1.00 0.00 O ATOM 1194 CB CYS A 83 3.212 3.115 1.832 1.00 0.00 C ATOM 1195 SG CYS A 83 4.665 2.913 2.890 1.00 0.00 S ATOM 0 H CYS A 83 0.968 3.384 0.726 1.00 0.00 H new ATOM 0 HA CYS A 83 1.822 2.693 3.415 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.077 2.209 1.241 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.397 3.928 1.130 1.00 0.00 H new ATOM 0 HG CYS A 83 4.941 1.648 3.012 1.00 0.00 H new ATOM 1201 N GLU A 84 1.414 4.965 4.382 1.00 0.00 N ATOM 1202 CA GLU A 84 1.390 6.261 5.050 1.00 0.00 C ATOM 1203 C GLU A 84 2.673 6.488 5.844 1.00 0.00 C ATOM 1204 O GLU A 84 3.120 5.613 6.585 1.00 0.00 O ATOM 1205 CB GLU A 84 0.178 6.357 5.980 1.00 0.00 C ATOM 1206 CG GLU A 84 -0.348 7.772 6.149 1.00 0.00 C ATOM 1207 CD GLU A 84 -1.088 7.968 7.458 1.00 0.00 C ATOM 1208 OE1 GLU A 84 -2.198 7.414 7.601 1.00 0.00 O ATOM 1209 OE2 GLU A 84 -0.556 8.674 8.340 1.00 0.00 O ATOM 0 H GLU A 84 0.980 4.209 4.911 1.00 0.00 H new ATOM 0 HA GLU A 84 1.315 7.034 4.285 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.620 5.726 5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.449 5.960 6.958 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.485 8.473 6.098 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.015 8.009 5.320 1.00 0.00 H new ATOM 1216 N ALA A 85 3.261 7.669 5.682 1.00 0.00 N ATOM 1217 CA ALA A 85 4.492 8.012 6.384 1.00 0.00 C ATOM 1218 C ALA A 85 4.359 9.349 7.104 1.00 0.00 C ATOM 1219 O ALA A 85 5.348 9.922 7.559 1.00 0.00 O ATOM 1220 CB ALA A 85 5.661 8.048 5.411 1.00 0.00 C ATOM 0 H ALA A 85 2.905 8.404 5.071 1.00 0.00 H new ATOM 0 HA ALA A 85 4.680 7.243 7.133 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.574 8.305 5.948 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.777 7.069 4.946 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.470 8.795 4.641 1.00 0.00 H new ATOM 1226 N GLY A 86 3.128 9.843 7.202 1.00 0.00 N ATOM 1227 CA GLY A 86 2.889 11.111 7.867 1.00 0.00 C ATOM 1228 C GLY A 86 2.205 12.119 6.965 1.00 0.00 C ATOM 1229 O GLY A 86 2.866 12.860 6.239 1.00 0.00 O ATOM 0 H GLY A 86 2.293 9.388 6.833 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.274 10.944 8.751 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.838 11.522 8.211 1.00 0.00 H new ATOM 1233 N GLY A 87 0.877 12.146 7.009 1.00 0.00 N ATOM 1234 CA GLY A 87 0.126 13.073 6.183 1.00 0.00 C ATOM 1235 C GLY A 87 -0.009 12.596 4.751 1.00 0.00 C ATOM 1236 O GLY A 87 -1.070 12.731 4.143 1.00 0.00 O ATOM 0 H GLY A 87 0.307 11.542 7.602 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.867 13.214 6.611 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.619 14.045 6.194 1.00 0.00 H new ATOM 1240 N GLN A 88 1.070 12.038 4.211 1.00 0.00 N ATOM 1241 CA GLN A 88 1.068 11.542 2.840 1.00 0.00 C ATOM 1242 C GLN A 88 1.058 10.017 2.813 1.00 0.00 C ATOM 1243 O GLN A 88 1.440 9.368 3.787 1.00 0.00 O ATOM 1244 CB GLN A 88 2.288 12.069 2.083 1.00 0.00 C ATOM 1245 CG GLN A 88 2.284 13.578 1.900 1.00 0.00 C ATOM 1246 CD GLN A 88 3.564 14.093 1.271 1.00 0.00 C ATOM 1247 OE1 GLN A 88 4.221 13.387 0.505 1.00 0.00 O ATOM 1248 NE2 GLN A 88 3.926 15.329 1.592 1.00 0.00 N ATOM 0 H GLN A 88 1.956 11.918 4.702 1.00 0.00 H new ATOM 0 HA GLN A 88 0.163 11.902 2.351 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.191 11.779 2.619 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.331 11.592 1.104 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.437 13.862 1.276 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.141 14.057 2.869 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.352 15.879 2.231 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.778 15.729 1.200 1.00 0.00 H new ATOM 1257 N GLN A 89 0.620 9.452 1.693 1.00 0.00 N ATOM 1258 CA GLN A 89 0.560 8.003 1.541 1.00 0.00 C ATOM 1259 C GLN A 89 0.380 7.617 0.076 1.00 0.00 C ATOM 1260 O GLN A 89 -0.560 8.062 -0.583 1.00 0.00 O ATOM 1261 CB GLN A 89 -0.585 7.429 2.376 1.00 0.00 C ATOM 1262 CG GLN A 89 -1.944 8.016 2.032 1.00 0.00 C ATOM 1263 CD GLN A 89 -2.911 7.974 3.199 1.00 0.00 C ATOM 1264 OE1 GLN A 89 -3.119 8.975 3.885 1.00 0.00 O ATOM 1265 NE2 GLN A 89 -3.509 6.811 3.430 1.00 0.00 N ATOM 0 H GLN A 89 0.301 9.975 0.877 1.00 0.00 H new ATOM 0 HA GLN A 89 1.503 7.586 1.895 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.619 6.349 2.236 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.378 7.607 3.431 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.818 9.049 1.707 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.370 7.467 1.192 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.307 6.007 2.836 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.170 6.722 4.201 1.00 0.00 H new ATOM 1274 N LEU A 90 1.287 6.787 -0.426 1.00 0.00 N ATOM 1275 CA LEU A 90 1.230 6.340 -1.814 1.00 0.00 C ATOM 1276 C LEU A 90 0.248 5.183 -1.973 1.00 0.00 C ATOM 1277 O LEU A 90 0.136 4.326 -1.097 1.00 0.00 O ATOM 1278 CB LEU A 90 2.619 5.914 -2.291 1.00 0.00 C ATOM 1279 CG LEU A 90 3.691 7.004 -2.295 1.00 0.00 C ATOM 1280 CD1 LEU A 90 5.070 6.398 -2.081 1.00 0.00 C ATOM 1281 CD2 LEU A 90 3.648 7.790 -3.598 1.00 0.00 C ATOM 0 H LEU A 90 2.071 6.410 0.107 1.00 0.00 H new ATOM 0 HA LEU A 90 0.883 7.174 -2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.963 5.096 -1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.528 5.518 -3.302 1.00 0.00 H new ATOM 0 HG LEU A 90 3.487 7.690 -1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.820 7.189 -2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.095 5.881 -1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.284 5.689 -2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.418 8.562 -3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.826 7.116 -4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.669 8.256 -3.709 1.00 0.00 H new ATOM 1293 N SER A 91 -0.460 5.165 -3.098 1.00 0.00 N ATOM 1294 CA SER A 91 -1.433 4.114 -3.372 1.00 0.00 C ATOM 1295 C SER A 91 -0.813 3.007 -4.218 1.00 0.00 C ATOM 1296 O SER A 91 -0.133 3.273 -5.209 1.00 0.00 O ATOM 1297 CB SER A 91 -2.654 4.695 -4.087 1.00 0.00 C ATOM 1298 OG SER A 91 -2.857 6.052 -3.730 1.00 0.00 O ATOM 0 H SER A 91 -0.378 5.866 -3.834 1.00 0.00 H new ATOM 0 HA SER A 91 -1.747 3.686 -2.420 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.519 4.616 -5.166 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.539 4.112 -3.833 1.00 0.00 H new ATOM 0 HG SER A 91 -3.642 6.400 -4.202 1.00 0.00 H new ATOM 1304 N PHE A 92 -1.054 1.762 -3.820 1.00 0.00 N ATOM 1305 CA PHE A 92 -0.520 0.612 -4.540 1.00 0.00 C ATOM 1306 C PHE A 92 -1.595 -0.452 -4.741 1.00 0.00 C ATOM 1307 O PHE A 92 -1.859 -1.259 -3.850 1.00 0.00 O ATOM 1308 CB PHE A 92 0.668 0.016 -3.782 1.00 0.00 C ATOM 1309 CG PHE A 92 1.939 0.800 -3.946 1.00 0.00 C ATOM 1310 CD1 PHE A 92 2.237 1.849 -3.091 1.00 0.00 C ATOM 1311 CD2 PHE A 92 2.836 0.488 -4.955 1.00 0.00 C ATOM 1312 CE1 PHE A 92 3.405 2.572 -3.240 1.00 0.00 C ATOM 1313 CE2 PHE A 92 4.005 1.208 -5.109 1.00 0.00 C ATOM 1314 CZ PHE A 92 4.291 2.251 -4.250 1.00 0.00 C ATOM 0 H PHE A 92 -1.616 1.524 -3.003 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.184 0.953 -5.519 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.420 -0.042 -2.722 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.833 -1.005 -4.127 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.548 2.104 -2.299 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.619 -0.328 -5.629 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.625 3.388 -2.567 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.695 0.955 -5.901 1.00 0.00 H new ATOM 0 HZ PHE A 92 5.205 2.814 -4.368 1.00 0.00 H new ATOM 1324 N ARG A 93 -2.212 -0.446 -5.918 1.00 0.00 N ATOM 1325 CA ARG A 93 -3.260 -1.408 -6.236 1.00 0.00 C ATOM 1326 C ARG A 93 -2.664 -2.781 -6.537 1.00 0.00 C ATOM 1327 O ARG A 93 -1.929 -2.950 -7.510 1.00 0.00 O ATOM 1328 CB ARG A 93 -4.081 -0.924 -7.432 1.00 0.00 C ATOM 1329 CG ARG A 93 -5.182 -1.886 -7.845 1.00 0.00 C ATOM 1330 CD ARG A 93 -6.432 -1.701 -6.998 1.00 0.00 C ATOM 1331 NE ARG A 93 -7.254 -0.591 -7.472 1.00 0.00 N ATOM 1332 CZ ARG A 93 -8.529 -0.425 -7.137 1.00 0.00 C ATOM 1333 NH1 ARG A 93 -9.123 -1.293 -6.330 1.00 0.00 N ATOM 1334 NH2 ARG A 93 -9.211 0.611 -7.609 1.00 0.00 N ATOM 0 H ARG A 93 -2.004 0.214 -6.667 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.913 -1.496 -5.368 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.526 0.041 -7.190 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.414 -0.764 -8.279 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.427 -1.730 -8.896 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.825 -2.911 -7.749 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.019 -2.619 -7.013 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.145 -1.523 -5.962 1.00 0.00 H new ATOM 0 HE ARG A 93 -6.826 0.094 -8.094 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -8.601 -2.090 -5.965 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -10.102 -1.164 -6.074 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.756 1.281 -8.230 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.190 0.737 -7.351 1.00 0.00 H new ATOM 1348 N LEU A 94 -2.986 -3.757 -5.696 1.00 0.00 N ATOM 1349 CA LEU A 94 -2.483 -5.115 -5.871 1.00 0.00 C ATOM 1350 C LEU A 94 -3.536 -6.006 -6.521 1.00 0.00 C ATOM 1351 O LEU A 94 -4.647 -6.145 -6.009 1.00 0.00 O ATOM 1352 CB LEU A 94 -2.063 -5.702 -4.522 1.00 0.00 C ATOM 1353 CG LEU A 94 -1.770 -7.203 -4.506 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -0.578 -7.524 -5.393 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -1.523 -7.683 -3.083 1.00 0.00 C ATOM 0 H LEU A 94 -3.593 -3.634 -4.886 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.614 -5.073 -6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.173 -5.174 -4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.852 -5.498 -3.798 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.641 -7.728 -4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.385 -8.596 -5.369 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.793 -7.217 -6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.300 -6.989 -5.031 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.316 -8.753 -3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.669 -7.151 -2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.406 -7.489 -2.475 1.00 0.00 H new ATOM 1367 N GLN A 95 -3.178 -6.609 -7.650 1.00 0.00 N ATOM 1368 CA GLN A 95 -4.093 -7.489 -8.369 1.00 0.00 C ATOM 1369 C GLN A 95 -3.563 -8.919 -8.398 1.00 0.00 C ATOM 1370 O GLN A 95 -2.364 -9.144 -8.562 1.00 0.00 O ATOM 1371 CB GLN A 95 -4.305 -6.982 -9.796 1.00 0.00 C ATOM 1372 CG GLN A 95 -5.198 -5.755 -9.879 1.00 0.00 C ATOM 1373 CD GLN A 95 -5.935 -5.657 -11.201 1.00 0.00 C ATOM 1374 OE1 GLN A 95 -5.501 -6.215 -12.209 1.00 0.00 O ATOM 1375 NE2 GLN A 95 -7.056 -4.946 -11.203 1.00 0.00 N ATOM 0 H GLN A 95 -2.262 -6.505 -8.087 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.048 -7.486 -7.844 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.336 -6.747 -10.237 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.742 -7.781 -10.395 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.922 -5.782 -9.065 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.593 -4.860 -9.738 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -7.379 -4.500 -10.344 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -7.595 -4.845 -12.063 1.00 0.00 H new ATOM 1384 N VAL A 96 -4.464 -9.882 -8.237 1.00 0.00 N ATOM 1385 CA VAL A 96 -4.087 -11.291 -8.246 1.00 0.00 C ATOM 1386 C VAL A 96 -4.698 -12.015 -9.440 1.00 0.00 C ATOM 1387 O VAL A 96 -5.797 -11.684 -9.885 1.00 0.00 O ATOM 1388 CB VAL A 96 -4.528 -11.998 -6.950 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -4.166 -13.474 -6.998 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -3.902 -11.325 -5.738 1.00 0.00 C ATOM 0 H VAL A 96 -5.460 -9.713 -8.099 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.000 -11.328 -8.319 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.611 -11.918 -6.862 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.485 -13.957 -6.074 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.666 -13.944 -7.845 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.087 -13.581 -7.109 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.224 -11.837 -4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.816 -11.373 -5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.217 -10.282 -5.698 1.00 0.00 H new ATOM 1400 N ALA A 97 -3.978 -13.007 -9.955 1.00 0.00 N ATOM 1401 CA ALA A 97 -4.450 -13.781 -11.096 1.00 0.00 C ATOM 1402 C ALA A 97 -4.618 -15.252 -10.730 1.00 0.00 C ATOM 1403 O ALA A 97 -3.694 -15.884 -10.219 1.00 0.00 O ATOM 1404 CB ALA A 97 -3.491 -13.632 -12.268 1.00 0.00 C ATOM 0 H ALA A 97 -3.066 -13.293 -9.600 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.426 -13.393 -11.388 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.856 -14.215 -13.113 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.425 -12.582 -12.553 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.504 -13.992 -11.978 1.00 0.00 H new ATOM 1410 N GLY A 98 -5.804 -15.792 -10.995 1.00 0.00 N ATOM 1411 CA GLY A 98 -6.071 -17.184 -10.687 1.00 0.00 C ATOM 1412 C GLY A 98 -6.554 -17.380 -9.263 1.00 0.00 C ATOM 1413 O GLY A 98 -6.987 -16.430 -8.612 1.00 0.00 O ATOM 0 H GLY A 98 -6.585 -15.290 -11.418 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.821 -17.569 -11.378 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.164 -17.768 -10.844 1.00 0.00 H new ATOM 1417 N GLN A 99 -6.482 -18.616 -8.780 1.00 0.00 N ATOM 1418 CA GLN A 99 -6.918 -18.933 -7.426 1.00 0.00 C ATOM 1419 C GLN A 99 -5.728 -19.284 -6.539 1.00 0.00 C ATOM 1420 O GLN A 99 -4.819 -20.002 -6.957 1.00 0.00 O ATOM 1421 CB GLN A 99 -7.913 -20.095 -7.447 1.00 0.00 C ATOM 1422 CG GLN A 99 -7.279 -21.434 -7.786 1.00 0.00 C ATOM 1423 CD GLN A 99 -8.228 -22.598 -7.582 1.00 0.00 C ATOM 1424 OE1 GLN A 99 -8.625 -22.901 -6.457 1.00 0.00 O ATOM 1425 NE2 GLN A 99 -8.599 -23.258 -8.673 1.00 0.00 N ATOM 0 H GLN A 99 -6.126 -19.414 -9.306 1.00 0.00 H new ATOM 0 HA GLN A 99 -7.408 -18.051 -7.013 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.395 -20.167 -6.472 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.696 -19.879 -8.174 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -6.944 -21.421 -8.823 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -6.394 -21.579 -7.167 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.246 -22.973 -9.586 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -9.237 -24.050 -8.598 1.00 0.00 H new ATOM 1434 N CYS A 100 -5.740 -18.773 -5.313 1.00 0.00 N ATOM 1435 CA CYS A 100 -4.660 -19.031 -4.366 1.00 0.00 C ATOM 1436 C CYS A 100 -4.738 -20.456 -3.829 1.00 0.00 C ATOM 1437 O CYS A 100 -3.722 -21.143 -3.712 1.00 0.00 O ATOM 1438 CB CYS A 100 -4.719 -18.033 -3.209 1.00 0.00 C ATOM 1439 SG CYS A 100 -6.288 -18.034 -2.312 1.00 0.00 S ATOM 0 H CYS A 100 -6.485 -18.178 -4.951 1.00 0.00 H new ATOM 0 HA CYS A 100 -3.712 -18.911 -4.891 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -3.913 -18.256 -2.510 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -4.536 -17.031 -3.598 1.00 0.00 H new ATOM 0 HG CYS A 100 -6.239 -17.159 -1.352 1.00 0.00 H new ATOM 1445 N PHE A 101 -5.949 -20.894 -3.502 1.00 0.00 N ATOM 1446 CA PHE A 101 -6.159 -22.237 -2.974 1.00 0.00 C ATOM 1447 C PHE A 101 -5.901 -23.290 -4.047 1.00 0.00 C ATOM 1448 O PHE A 101 -6.194 -23.079 -5.223 1.00 0.00 O ATOM 1449 CB PHE A 101 -7.584 -22.379 -2.436 1.00 0.00 C ATOM 1450 CG PHE A 101 -8.025 -23.806 -2.274 1.00 0.00 C ATOM 1451 CD1 PHE A 101 -8.506 -24.523 -3.358 1.00 0.00 C ATOM 1452 CD2 PHE A 101 -7.957 -24.431 -1.039 1.00 0.00 C ATOM 1453 CE1 PHE A 101 -8.912 -25.836 -3.212 1.00 0.00 C ATOM 1454 CE2 PHE A 101 -8.362 -25.744 -0.888 1.00 0.00 C ATOM 1455 CZ PHE A 101 -8.839 -26.448 -1.976 1.00 0.00 C ATOM 0 H PHE A 101 -6.800 -20.339 -3.593 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.453 -22.394 -2.159 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -7.652 -21.875 -1.472 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.271 -21.869 -3.111 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -8.564 -24.051 -4.327 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.583 -23.886 -0.185 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.286 -26.383 -4.064 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -8.305 -26.219 0.080 1.00 0.00 H new ATOM 0 HZ PHE A 101 -9.154 -27.475 -1.861 1.00 0.00 H new ATOM 1465 N GLY A 102 -5.349 -24.427 -3.633 1.00 0.00 N ATOM 1466 CA GLY A 102 -5.060 -25.496 -4.570 1.00 0.00 C ATOM 1467 C GLY A 102 -3.787 -25.250 -5.356 1.00 0.00 C ATOM 1468 O GLY A 102 -3.080 -26.191 -5.715 1.00 0.00 O ATOM 0 H GLY A 102 -5.097 -24.626 -2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.972 -26.437 -4.027 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.895 -25.604 -5.262 1.00 0.00 H new TER 1472 GLY A 102