USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 888 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 ASN : amide:sc= -1.73 X(o=-2.3,f=-2.1) USER MOD Set 1.2: A 36 THR OG1 : rot 132:sc= -0.525 USER MOD Set 2.1: A 22 LYS NZ :NH3+ 170:sc= 1.26 (180deg=0) USER MOD Set 2.2: A 26 GLN : amide:sc= 1.77 K(o=3,f=-3.4) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -168:sc= 1.06 (180deg=0.959) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 157:sc= 1.24 (180deg=1.2) USER MOD Single : A 21 LYS NZ :NH3+ 157:sc= 1.19 (180deg=1.05) USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= 1.28 (180deg=1.12) USER MOD Single : A 34 TYR OH : rot 95:sc= 0.543 USER MOD Single : A 37 ASN : amide:sc= 0.49 X(o=0.49,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -162:sc= 1.19 (180deg=0.989) USER MOD Single : A 41 THR OG1 : rot -76:sc= 0.911 USER MOD Single : A 49 SER OG : rot -80:sc= 0.736 USER MOD Single : A 54 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.14) USER MOD Single : A 55 LYS NZ :NH3+ -163:sc= 1.23 (180deg=0.8) USER MOD Single : A 62 LYS NZ :NH3+ -174:sc= 1.21 (180deg=1.08) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.735 K(o=-0.73,f=-4!) USER MOD Single : A 73 LYS NZ :NH3+ -146:sc= 1.03 (180deg=0.399) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0.264 X(o=0.26,f=-0.0021) USER MOD Single : A 78 LYS NZ :NH3+ -166:sc= 1.28 (180deg=1.21) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -159:sc= 1.3 (180deg=0.712) USER MOD Single : A 85 LYS NZ :NH3+ 164:sc= 1.3 (180deg=1.21) USER MOD Single : A 89 THR OG1 : rot -150:sc= -0.408 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 148:sc= 1.21 (180deg=0.738) USER MOD Single : A 96 THR OG1 : rot 87:sc= 0.951 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 164:sc= 0.825 (180deg=0.652) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N PRO A 5 15.647 13.451 14.047 1.00 0.00 N ATOM 56 CA PRO A 5 15.320 12.301 13.183 1.00 0.00 C ATOM 57 C PRO A 5 14.388 12.580 11.998 1.00 0.00 C ATOM 58 O PRO A 5 14.106 11.667 11.233 1.00 0.00 O ATOM 59 CB PRO A 5 14.764 11.204 14.099 1.00 0.00 C ATOM 60 CG PRO A 5 14.286 11.986 15.311 1.00 0.00 C ATOM 61 CD PRO A 5 15.345 13.082 15.416 1.00 0.00 C ATOM 0 HA PRO A 5 16.239 11.999 12.680 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.950 10.656 13.625 1.00 0.00 H new ATOM 0 HB3 PRO A 5 15.528 10.474 14.365 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.287 12.396 15.164 1.00 0.00 H new ATOM 0 HG3 PRO A 5 14.248 11.367 16.208 1.00 0.00 H new ATOM 0 HD2 PRO A 5 14.973 13.936 15.981 1.00 0.00 H new ATOM 0 HD3 PRO A 5 16.235 12.722 15.932 1.00 0.00 H new ATOM 69 N GLU A 6 14.041 13.838 11.738 1.00 0.00 N ATOM 70 CA GLU A 6 13.788 14.381 10.397 1.00 0.00 C ATOM 71 C GLU A 6 14.748 13.836 9.328 1.00 0.00 C ATOM 72 O GLU A 6 14.332 13.605 8.196 1.00 0.00 O ATOM 73 CB GLU A 6 13.880 15.906 10.418 1.00 0.00 C ATOM 74 CG GLU A 6 12.957 16.581 11.436 1.00 0.00 C ATOM 75 CD GLU A 6 11.498 16.683 10.954 1.00 0.00 C ATOM 76 OE1 GLU A 6 10.902 15.664 10.534 1.00 0.00 O ATOM 77 OE2 GLU A 6 10.913 17.790 11.005 1.00 0.00 O ATOM 0 H GLU A 6 13.923 14.533 12.475 1.00 0.00 H new ATOM 0 HA GLU A 6 12.782 14.060 10.126 1.00 0.00 H new ATOM 0 HB2 GLU A 6 14.909 16.193 10.633 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.644 16.286 9.424 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.986 16.021 12.371 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.333 17.581 11.651 1.00 0.00 H new ATOM 84 N LYS A 7 16.009 13.551 9.692 1.00 0.00 N ATOM 85 CA LYS A 7 16.964 12.782 8.867 1.00 0.00 C ATOM 86 C LYS A 7 16.374 11.455 8.389 1.00 0.00 C ATOM 87 O LYS A 7 16.323 11.180 7.191 1.00 0.00 O ATOM 88 CB LYS A 7 18.277 12.553 9.636 1.00 0.00 C ATOM 89 CG LYS A 7 18.901 13.808 10.259 1.00 0.00 C ATOM 90 CD LYS A 7 19.140 14.911 9.244 1.00 0.00 C ATOM 91 CE LYS A 7 20.325 14.488 8.380 1.00 0.00 C ATOM 92 NZ LYS A 7 20.919 15.632 7.640 1.00 0.00 N ATOM 0 H LYS A 7 16.403 13.852 10.583 1.00 0.00 H new ATOM 0 HA LYS A 7 17.177 13.375 7.977 1.00 0.00 H new ATOM 0 HB2 LYS A 7 18.093 11.828 10.428 1.00 0.00 H new ATOM 0 HB3 LYS A 7 19.003 12.106 8.957 1.00 0.00 H new ATOM 0 HG2 LYS A 7 18.247 14.181 11.047 1.00 0.00 H new ATOM 0 HG3 LYS A 7 19.847 13.542 10.730 1.00 0.00 H new ATOM 0 HD2 LYS A 7 18.253 15.066 8.630 1.00 0.00 H new ATOM 0 HD3 LYS A 7 19.349 15.856 9.746 1.00 0.00 H new ATOM 0 HE2 LYS A 7 21.087 14.031 9.011 1.00 0.00 H new ATOM 0 HE3 LYS A 7 20.001 13.727 7.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 21.720 15.297 7.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 20.200 16.053 7.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 21.253 16.347 8.317 1.00 0.00 H new ATOM 106 N LYS A 8 15.868 10.656 9.330 1.00 0.00 N ATOM 107 CA LYS A 8 15.213 9.371 9.062 1.00 0.00 C ATOM 108 C LYS A 8 13.840 9.541 8.412 1.00 0.00 C ATOM 109 O LYS A 8 13.480 8.726 7.569 1.00 0.00 O ATOM 110 CB LYS A 8 15.157 8.545 10.362 1.00 0.00 C ATOM 111 CG LYS A 8 14.917 7.035 10.158 1.00 0.00 C ATOM 112 CD LYS A 8 16.192 6.222 9.859 1.00 0.00 C ATOM 113 CE LYS A 8 16.860 6.599 8.531 1.00 0.00 C ATOM 114 NZ LYS A 8 18.035 5.754 8.206 1.00 0.00 N ATOM 0 H LYS A 8 15.902 10.888 10.323 1.00 0.00 H new ATOM 0 HA LYS A 8 15.807 8.822 8.331 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.094 8.680 10.903 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.364 8.943 10.995 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.444 6.630 11.053 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.213 6.899 9.337 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.905 6.369 10.670 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.942 5.161 9.842 1.00 0.00 H new ATOM 0 HE2 LYS A 8 16.128 6.516 7.728 1.00 0.00 H new ATOM 0 HE3 LYS A 8 17.172 7.643 8.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 18.560 6.179 7.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 18.656 5.688 9.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.714 4.802 7.937 1.00 0.00 H new ATOM 128 N VAL A 9 13.111 10.613 8.725 1.00 0.00 N ATOM 129 CA VAL A 9 11.839 10.951 8.051 1.00 0.00 C ATOM 130 C VAL A 9 12.067 11.278 6.571 1.00 0.00 C ATOM 131 O VAL A 9 11.291 10.830 5.735 1.00 0.00 O ATOM 132 CB VAL A 9 11.077 12.101 8.742 1.00 0.00 C ATOM 133 CG1 VAL A 9 9.674 12.310 8.164 1.00 0.00 C ATOM 134 CG2 VAL A 9 10.836 11.789 10.217 1.00 0.00 C ATOM 0 H VAL A 9 13.379 11.277 9.452 1.00 0.00 H new ATOM 0 HA VAL A 9 11.212 10.062 8.126 1.00 0.00 H new ATOM 0 HB VAL A 9 11.704 12.980 8.590 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.184 13.131 8.687 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.749 12.549 7.103 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.089 11.399 8.290 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.297 12.616 10.680 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.246 10.877 10.304 1.00 0.00 H new ATOM 0 HG23 VAL A 9 11.793 11.652 10.721 1.00 0.00 H new ATOM 144 N ALA A 10 13.133 12.009 6.225 1.00 0.00 N ATOM 145 CA ALA A 10 13.494 12.350 4.850 1.00 0.00 C ATOM 146 C ALA A 10 13.990 11.111 4.091 1.00 0.00 C ATOM 147 O ALA A 10 13.565 10.839 2.968 1.00 0.00 O ATOM 148 CB ALA A 10 14.557 13.456 4.878 1.00 0.00 C ATOM 0 H ALA A 10 13.783 12.388 6.914 1.00 0.00 H new ATOM 0 HA ALA A 10 12.615 12.715 4.319 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.835 13.719 3.857 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.155 14.334 5.383 1.00 0.00 H new ATOM 0 HB3 ALA A 10 15.437 13.101 5.414 1.00 0.00 H new ATOM 154 N GLU A 11 14.848 10.305 4.719 1.00 0.00 N ATOM 155 CA GLU A 11 15.280 9.029 4.147 1.00 0.00 C ATOM 156 C GLU A 11 14.119 8.057 3.905 1.00 0.00 C ATOM 157 O GLU A 11 13.988 7.505 2.816 1.00 0.00 O ATOM 158 CB GLU A 11 16.351 8.401 5.041 1.00 0.00 C ATOM 159 CG GLU A 11 17.663 9.182 4.922 1.00 0.00 C ATOM 160 CD GLU A 11 18.752 8.663 5.885 1.00 0.00 C ATOM 161 OE1 GLU A 11 18.839 7.430 6.115 1.00 0.00 O ATOM 162 OE2 GLU A 11 19.542 9.482 6.412 1.00 0.00 O ATOM 0 H GLU A 11 15.259 10.515 5.629 1.00 0.00 H new ATOM 0 HA GLU A 11 15.704 9.236 3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.014 8.398 6.078 1.00 0.00 H new ATOM 0 HB3 GLU A 11 16.511 7.362 4.754 1.00 0.00 H new ATOM 0 HG2 GLU A 11 18.029 9.117 3.897 1.00 0.00 H new ATOM 0 HG3 GLU A 11 17.474 10.236 5.127 1.00 0.00 H new ATOM 169 N ALA A 12 13.220 7.885 4.870 1.00 0.00 N ATOM 170 CA ALA A 12 12.018 7.078 4.689 1.00 0.00 C ATOM 171 C ALA A 12 10.954 7.731 3.782 1.00 0.00 C ATOM 172 O ALA A 12 10.028 7.061 3.325 1.00 0.00 O ATOM 173 CB ALA A 12 11.485 6.700 6.069 1.00 0.00 C ATOM 0 H ALA A 12 13.304 8.300 5.798 1.00 0.00 H new ATOM 0 HA ALA A 12 12.285 6.173 4.143 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.585 6.095 5.958 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.242 6.129 6.607 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.248 7.605 6.628 1.00 0.00 H new ATOM 179 N GLU A 13 11.104 9.015 3.449 1.00 0.00 N ATOM 180 CA GLU A 13 10.193 9.725 2.535 1.00 0.00 C ATOM 181 C GLU A 13 10.558 9.381 1.091 1.00 0.00 C ATOM 182 O GLU A 13 9.692 9.170 0.245 1.00 0.00 O ATOM 183 CB GLU A 13 10.221 11.242 2.795 1.00 0.00 C ATOM 184 CG GLU A 13 9.545 12.058 1.689 1.00 0.00 C ATOM 185 CD GLU A 13 9.464 13.548 2.071 1.00 0.00 C ATOM 186 OE1 GLU A 13 10.426 14.305 1.792 1.00 0.00 O ATOM 187 OE2 GLU A 13 8.431 13.977 2.641 1.00 0.00 O ATOM 0 H GLU A 13 11.862 9.598 3.805 1.00 0.00 H new ATOM 0 HA GLU A 13 9.169 9.399 2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.727 11.450 3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.256 11.567 2.896 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.102 11.948 0.759 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.542 11.671 1.508 1.00 0.00 H new ATOM 194 N LYS A 14 11.859 9.235 0.840 1.00 0.00 N ATOM 195 CA LYS A 14 12.440 8.762 -0.421 1.00 0.00 C ATOM 196 C LYS A 14 11.901 7.374 -0.787 1.00 0.00 C ATOM 197 O LYS A 14 11.547 7.098 -1.933 1.00 0.00 O ATOM 198 CB LYS A 14 13.970 8.847 -0.255 1.00 0.00 C ATOM 199 CG LYS A 14 14.748 7.526 -0.186 1.00 0.00 C ATOM 200 CD LYS A 14 16.150 7.784 0.366 1.00 0.00 C ATOM 201 CE LYS A 14 16.880 6.451 0.531 1.00 0.00 C ATOM 202 NZ LYS A 14 18.298 6.638 0.937 1.00 0.00 N ATOM 0 H LYS A 14 12.569 9.452 1.539 1.00 0.00 H new ATOM 0 HA LYS A 14 12.154 9.379 -1.273 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.367 9.429 -1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.179 9.409 0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.221 6.815 0.450 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.813 7.079 -1.178 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.705 8.435 -0.309 1.00 0.00 H new ATOM 0 HD3 LYS A 14 16.087 8.299 1.325 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.366 5.846 1.278 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.842 5.898 -0.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.756 5.710 1.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.796 7.193 0.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 18.335 7.143 1.846 1.00 0.00 H new ATOM 216 N LYS A 15 11.771 6.527 0.236 1.00 0.00 N ATOM 217 CA LYS A 15 11.114 5.220 0.197 1.00 0.00 C ATOM 218 C LYS A 15 9.603 5.332 -0.044 1.00 0.00 C ATOM 219 O LYS A 15 9.077 4.589 -0.869 1.00 0.00 O ATOM 220 CB LYS A 15 11.473 4.493 1.503 1.00 0.00 C ATOM 221 CG LYS A 15 10.579 3.303 1.843 1.00 0.00 C ATOM 222 CD LYS A 15 10.687 2.145 0.831 1.00 0.00 C ATOM 223 CE LYS A 15 9.345 1.426 0.651 1.00 0.00 C ATOM 224 NZ LYS A 15 8.950 0.658 1.862 1.00 0.00 N ATOM 0 H LYS A 15 12.140 6.746 1.161 1.00 0.00 H new ATOM 0 HA LYS A 15 11.471 4.638 -0.652 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.504 4.147 1.437 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.429 5.209 2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.840 2.934 2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.543 3.639 1.890 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.025 2.532 -0.130 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.439 1.433 1.171 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.571 2.158 0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.409 0.749 -0.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.037 0.189 1.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.674 -0.059 2.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.862 1.306 2.671 1.00 0.00 H new ATOM 238 N VAL A 16 8.903 6.244 0.636 1.00 0.00 N ATOM 239 CA VAL A 16 7.462 6.500 0.407 1.00 0.00 C ATOM 240 C VAL A 16 7.184 6.961 -1.030 1.00 0.00 C ATOM 241 O VAL A 16 6.178 6.568 -1.611 1.00 0.00 O ATOM 242 CB VAL A 16 6.871 7.457 1.466 1.00 0.00 C ATOM 243 CG1 VAL A 16 5.670 8.295 1.005 1.00 0.00 C ATOM 244 CG2 VAL A 16 6.397 6.625 2.664 1.00 0.00 C ATOM 0 H VAL A 16 9.312 6.831 1.363 1.00 0.00 H new ATOM 0 HA VAL A 16 6.942 5.550 0.530 1.00 0.00 H new ATOM 0 HB VAL A 16 7.675 8.156 1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.334 8.931 1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.964 8.917 0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.858 7.633 0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.976 7.286 3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.636 5.917 2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.242 6.080 3.086 1.00 0.00 H new ATOM 254 N GLU A 17 8.078 7.737 -1.642 1.00 0.00 N ATOM 255 CA GLU A 17 7.985 8.131 -3.053 1.00 0.00 C ATOM 256 C GLU A 17 8.118 6.926 -4.004 1.00 0.00 C ATOM 257 O GLU A 17 7.388 6.841 -4.990 1.00 0.00 O ATOM 258 CB GLU A 17 9.040 9.203 -3.367 1.00 0.00 C ATOM 259 CG GLU A 17 8.705 10.588 -2.791 1.00 0.00 C ATOM 260 CD GLU A 17 7.532 11.256 -3.533 1.00 0.00 C ATOM 261 OE1 GLU A 17 7.754 11.863 -4.609 1.00 0.00 O ATOM 262 OE2 GLU A 17 6.380 11.187 -3.042 1.00 0.00 O ATOM 0 H GLU A 17 8.898 8.116 -1.169 1.00 0.00 H new ATOM 0 HA GLU A 17 6.992 8.550 -3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.003 8.879 -2.973 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.150 9.286 -4.448 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.456 10.490 -1.734 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.585 11.229 -2.853 1.00 0.00 H new ATOM 269 N GLU A 18 8.994 5.957 -3.713 1.00 0.00 N ATOM 270 CA GLU A 18 9.052 4.688 -4.457 1.00 0.00 C ATOM 271 C GLU A 18 7.817 3.795 -4.207 1.00 0.00 C ATOM 272 O GLU A 18 7.281 3.198 -5.141 1.00 0.00 O ATOM 273 CB GLU A 18 10.376 3.963 -4.167 1.00 0.00 C ATOM 274 CG GLU A 18 10.529 2.688 -5.013 1.00 0.00 C ATOM 275 CD GLU A 18 12.000 2.411 -5.370 1.00 0.00 C ATOM 276 OE1 GLU A 18 12.737 1.818 -4.544 1.00 0.00 O ATOM 277 OE2 GLU A 18 12.417 2.783 -6.496 1.00 0.00 O ATOM 0 H GLU A 18 9.679 6.027 -2.961 1.00 0.00 H new ATOM 0 HA GLU A 18 9.024 4.922 -5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.210 4.635 -4.369 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.424 3.705 -3.109 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.122 1.838 -4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.945 2.787 -5.928 1.00 0.00 H new ATOM 284 N ALA A 19 7.304 3.752 -2.975 1.00 0.00 N ATOM 285 CA ALA A 19 6.020 3.127 -2.641 1.00 0.00 C ATOM 286 C ALA A 19 4.852 3.728 -3.461 1.00 0.00 C ATOM 287 O ALA A 19 4.060 3.000 -4.066 1.00 0.00 O ATOM 288 CB ALA A 19 5.835 3.230 -1.123 1.00 0.00 C ATOM 0 H ALA A 19 7.777 4.157 -2.167 1.00 0.00 H new ATOM 0 HA ALA A 19 6.019 2.073 -2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.887 2.773 -0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.652 2.711 -0.621 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.835 4.279 -0.827 1.00 0.00 H new ATOM 294 N LYS A 20 4.791 5.063 -3.556 1.00 0.00 N ATOM 295 CA LYS A 20 3.866 5.829 -4.407 1.00 0.00 C ATOM 296 C LYS A 20 4.056 5.531 -5.901 1.00 0.00 C ATOM 297 O LYS A 20 3.068 5.324 -6.599 1.00 0.00 O ATOM 298 CB LYS A 20 4.031 7.322 -4.078 1.00 0.00 C ATOM 299 CG LYS A 20 2.994 8.228 -4.762 1.00 0.00 C ATOM 300 CD LYS A 20 3.282 9.714 -4.499 1.00 0.00 C ATOM 301 CE LYS A 20 3.096 10.103 -3.025 1.00 0.00 C ATOM 302 NZ LYS A 20 3.640 11.457 -2.756 1.00 0.00 N ATOM 0 H LYS A 20 5.412 5.667 -3.018 1.00 0.00 H new ATOM 0 HA LYS A 20 2.842 5.524 -4.191 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.961 7.456 -2.999 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.030 7.641 -4.375 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.998 8.040 -5.836 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.997 7.980 -4.398 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.303 9.941 -4.804 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.622 10.323 -5.117 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.037 10.076 -2.770 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.596 9.374 -2.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.181 11.854 -1.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.666 11.393 -2.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.455 12.074 -3.573 1.00 0.00 H new ATOM 316 N LYS A 21 5.296 5.435 -6.397 1.00 0.00 N ATOM 317 CA LYS A 21 5.625 4.986 -7.770 1.00 0.00 C ATOM 318 C LYS A 21 5.062 3.588 -8.078 1.00 0.00 C ATOM 319 O LYS A 21 4.512 3.374 -9.156 1.00 0.00 O ATOM 320 CB LYS A 21 7.149 5.068 -7.975 1.00 0.00 C ATOM 321 CG LYS A 21 7.618 4.698 -9.394 1.00 0.00 C ATOM 322 CD LYS A 21 9.142 4.843 -9.571 1.00 0.00 C ATOM 323 CE LYS A 21 9.924 3.913 -8.628 1.00 0.00 C ATOM 324 NZ LYS A 21 11.395 4.043 -8.791 1.00 0.00 N ATOM 0 H LYS A 21 6.123 5.671 -5.848 1.00 0.00 H new ATOM 0 HA LYS A 21 5.141 5.652 -8.485 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.480 6.081 -7.748 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.636 4.406 -7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.327 3.671 -9.613 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.110 5.334 -10.118 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.410 4.620 -10.604 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.432 5.877 -9.383 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.655 4.138 -7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.631 2.880 -8.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.870 3.725 -7.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.709 3.458 -9.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.637 5.038 -8.974 1.00 0.00 H new ATOM 338 N LYS A 22 5.126 2.650 -7.126 1.00 0.00 N ATOM 339 CA LYS A 22 4.466 1.329 -7.215 1.00 0.00 C ATOM 340 C LYS A 22 2.940 1.443 -7.305 1.00 0.00 C ATOM 341 O LYS A 22 2.328 0.794 -8.150 1.00 0.00 O ATOM 342 CB LYS A 22 4.928 0.439 -6.040 1.00 0.00 C ATOM 343 CG LYS A 22 5.398 -0.958 -6.483 1.00 0.00 C ATOM 344 CD LYS A 22 4.305 -1.890 -7.029 1.00 0.00 C ATOM 345 CE LYS A 22 3.288 -2.270 -5.945 1.00 0.00 C ATOM 346 NZ LYS A 22 2.365 -3.332 -6.420 1.00 0.00 N ATOM 0 H LYS A 22 5.644 2.783 -6.257 1.00 0.00 H new ATOM 0 HA LYS A 22 4.772 0.851 -8.146 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.741 0.938 -5.513 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.107 0.331 -5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.162 -0.837 -7.251 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.874 -1.447 -5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.790 -1.401 -7.856 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.764 -2.794 -7.430 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.814 -2.614 -5.054 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.715 -1.389 -5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.803 -3.687 -5.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.729 -2.941 -7.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.916 -4.113 -6.829 1.00 0.00 H new ATOM 360 N ALA A 23 2.314 2.305 -6.506 1.00 0.00 N ATOM 361 CA ALA A 23 0.891 2.607 -6.674 1.00 0.00 C ATOM 362 C ALA A 23 0.571 3.275 -8.030 1.00 0.00 C ATOM 363 O ALA A 23 -0.462 2.982 -8.628 1.00 0.00 O ATOM 364 CB ALA A 23 0.389 3.424 -5.476 1.00 0.00 C ATOM 0 H ALA A 23 2.765 2.805 -5.740 1.00 0.00 H new ATOM 0 HA ALA A 23 0.347 1.663 -6.696 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.670 3.646 -5.605 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.530 2.851 -4.560 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.950 4.356 -5.411 1.00 0.00 H new ATOM 370 N GLU A 24 1.466 4.103 -8.573 1.00 0.00 N ATOM 371 CA GLU A 24 1.354 4.669 -9.928 1.00 0.00 C ATOM 372 C GLU A 24 1.441 3.605 -11.046 1.00 0.00 C ATOM 373 O GLU A 24 0.869 3.776 -12.121 1.00 0.00 O ATOM 374 CB GLU A 24 2.379 5.802 -10.116 1.00 0.00 C ATOM 375 CG GLU A 24 2.050 6.701 -11.316 1.00 0.00 C ATOM 376 CD GLU A 24 3.025 7.891 -11.397 1.00 0.00 C ATOM 377 OE1 GLU A 24 4.087 7.768 -12.055 1.00 0.00 O ATOM 378 OE2 GLU A 24 2.730 8.965 -10.818 1.00 0.00 O ATOM 0 H GLU A 24 2.305 4.407 -8.079 1.00 0.00 H new ATOM 0 HA GLU A 24 0.353 5.091 -10.022 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.415 6.409 -9.211 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.371 5.371 -10.250 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.103 6.119 -12.236 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.028 7.069 -11.230 1.00 0.00 H new ATOM 385 N ASP A 25 2.070 2.458 -10.789 1.00 0.00 N ATOM 386 CA ASP A 25 1.984 1.259 -11.638 1.00 0.00 C ATOM 387 C ASP A 25 0.565 0.669 -11.672 1.00 0.00 C ATOM 388 O ASP A 25 0.092 0.184 -12.702 1.00 0.00 O ATOM 389 CB ASP A 25 2.968 0.202 -11.111 1.00 0.00 C ATOM 390 CG ASP A 25 3.637 -0.577 -12.254 1.00 0.00 C ATOM 391 OD1 ASP A 25 4.536 -0.014 -12.923 1.00 0.00 O ATOM 392 OD2 ASP A 25 3.281 -1.758 -12.478 1.00 0.00 O ATOM 0 H ASP A 25 2.666 2.329 -9.971 1.00 0.00 H new ATOM 0 HA ASP A 25 2.239 1.550 -12.657 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.733 0.688 -10.506 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.439 -0.493 -10.458 1.00 0.00 H new ATOM 397 N GLN A 26 -0.147 0.747 -10.548 1.00 0.00 N ATOM 398 CA GLN A 26 -1.550 0.327 -10.489 1.00 0.00 C ATOM 399 C GLN A 26 -2.465 1.399 -11.105 1.00 0.00 C ATOM 400 O GLN A 26 -3.465 1.096 -11.746 1.00 0.00 O ATOM 401 CB GLN A 26 -1.970 0.000 -9.055 1.00 0.00 C ATOM 402 CG GLN A 26 -0.995 -0.828 -8.201 1.00 0.00 C ATOM 403 CD GLN A 26 -0.411 -2.095 -8.831 1.00 0.00 C ATOM 404 OE1 GLN A 26 0.706 -2.487 -8.519 1.00 0.00 O ATOM 405 NE2 GLN A 26 -1.096 -2.828 -9.678 1.00 0.00 N ATOM 0 H GLN A 26 0.224 1.097 -9.665 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.654 -0.585 -11.077 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.156 0.940 -8.536 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.919 -0.535 -9.096 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.166 -0.181 -7.913 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.509 -1.114 -7.284 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.031 -2.537 -9.964 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.693 -3.688 -10.050 1.00 0.00 H new ATOM 414 N LYS A 27 -2.091 2.676 -10.979 1.00 0.00 N ATOM 415 CA LYS A 27 -2.695 3.806 -11.699 1.00 0.00 C ATOM 416 C LYS A 27 -2.571 3.694 -13.217 1.00 0.00 C ATOM 417 O LYS A 27 -3.467 4.109 -13.947 1.00 0.00 O ATOM 418 CB LYS A 27 -2.014 5.083 -11.225 1.00 0.00 C ATOM 419 CG LYS A 27 -2.838 6.332 -11.512 1.00 0.00 C ATOM 420 CD LYS A 27 -4.064 6.561 -10.617 1.00 0.00 C ATOM 421 CE LYS A 27 -3.670 6.531 -9.134 1.00 0.00 C ATOM 422 NZ LYS A 27 -4.701 7.141 -8.258 1.00 0.00 N ATOM 0 H LYS A 27 -1.337 2.963 -10.355 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.763 3.810 -11.480 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.828 5.014 -10.153 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.043 5.174 -11.712 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.184 7.200 -11.425 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.174 6.289 -12.548 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.521 7.521 -10.857 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.812 5.794 -10.815 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.502 5.499 -8.827 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.726 7.060 -9.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.479 6.932 -7.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.713 8.171 -8.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.634 6.748 -8.495 1.00 0.00 H new ATOM 436 N GLU A 28 -1.463 3.130 -13.690 1.00 0.00 N ATOM 437 CA GLU A 28 -1.339 2.703 -15.092 1.00 0.00 C ATOM 438 C GLU A 28 -2.534 1.825 -15.477 1.00 0.00 C ATOM 439 O GLU A 28 -3.204 2.111 -16.461 1.00 0.00 O ATOM 440 CB GLU A 28 -0.012 1.987 -15.384 1.00 0.00 C ATOM 441 CG GLU A 28 0.254 1.890 -16.893 1.00 0.00 C ATOM 442 CD GLU A 28 1.296 0.801 -17.197 1.00 0.00 C ATOM 443 OE1 GLU A 28 0.898 -0.389 -17.264 1.00 0.00 O ATOM 444 OE2 GLU A 28 2.493 1.124 -17.389 1.00 0.00 O ATOM 0 H GLU A 28 -0.632 2.955 -13.125 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.339 3.603 -15.707 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.806 2.524 -14.903 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.034 0.986 -14.952 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.675 1.666 -17.417 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.607 2.851 -17.267 1.00 0.00 H new ATOM 451 N GLU A 29 -2.895 0.824 -14.672 1.00 0.00 N ATOM 452 CA GLU A 29 -4.172 0.107 -14.868 1.00 0.00 C ATOM 453 C GLU A 29 -5.387 1.057 -14.916 1.00 0.00 C ATOM 454 O GLU A 29 -6.153 1.048 -15.870 1.00 0.00 O ATOM 455 CB GLU A 29 -4.384 -1.030 -13.858 1.00 0.00 C ATOM 456 CG GLU A 29 -3.140 -1.894 -13.627 1.00 0.00 C ATOM 457 CD GLU A 29 -3.434 -3.009 -12.609 1.00 0.00 C ATOM 458 OE1 GLU A 29 -3.309 -2.761 -11.386 1.00 0.00 O ATOM 459 OE2 GLU A 29 -3.776 -4.139 -13.037 1.00 0.00 O ATOM 0 H GLU A 29 -2.336 0.490 -13.887 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.093 -0.359 -15.850 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.700 -0.603 -12.906 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.197 -1.667 -14.207 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.815 -2.333 -14.571 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.321 -1.272 -13.266 1.00 0.00 H new ATOM 466 N ASP A 30 -5.546 1.979 -13.984 1.00 0.00 N ATOM 467 CA ASP A 30 -6.608 2.984 -13.989 1.00 0.00 C ATOM 468 C ASP A 30 -6.445 4.116 -15.040 1.00 0.00 C ATOM 469 O ASP A 30 -7.096 5.159 -14.952 1.00 0.00 O ATOM 470 CB ASP A 30 -6.669 3.493 -12.550 1.00 0.00 C ATOM 471 CG ASP A 30 -7.858 4.411 -12.219 1.00 0.00 C ATOM 472 OD1 ASP A 30 -9.022 3.995 -12.419 1.00 0.00 O ATOM 473 OD2 ASP A 30 -7.629 5.529 -11.695 1.00 0.00 O ATOM 0 H ASP A 30 -4.926 2.056 -13.178 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.550 2.538 -14.309 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.700 2.633 -11.881 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.746 4.032 -12.335 1.00 0.00 H new ATOM 478 N ARG A 31 -5.631 3.904 -16.086 1.00 0.00 N ATOM 479 CA ARG A 31 -5.724 4.606 -17.385 1.00 0.00 C ATOM 480 C ARG A 31 -5.589 3.686 -18.610 1.00 0.00 C ATOM 481 O ARG A 31 -5.925 4.108 -19.716 1.00 0.00 O ATOM 482 CB ARG A 31 -4.743 5.793 -17.413 1.00 0.00 C ATOM 483 CG ARG A 31 -3.274 5.355 -17.439 1.00 0.00 C ATOM 484 CD ARG A 31 -2.350 6.493 -16.988 1.00 0.00 C ATOM 485 NE ARG A 31 -0.926 6.096 -17.038 1.00 0.00 N ATOM 486 CZ ARG A 31 -0.087 5.946 -16.025 1.00 0.00 C ATOM 487 NH1 ARG A 31 -0.448 6.115 -14.785 1.00 0.00 N ATOM 488 NH2 ARG A 31 1.147 5.597 -16.241 1.00 0.00 N ATOM 0 H ARG A 31 -4.871 3.225 -16.056 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.739 4.995 -17.467 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.949 6.407 -18.290 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.914 6.420 -16.538 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.137 4.492 -16.788 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.003 5.040 -18.447 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.507 7.363 -17.625 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.609 6.791 -15.972 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.544 5.916 -17.966 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.410 6.373 -14.565 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.231 5.989 -14.034 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.472 5.438 -17.194 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.789 5.483 -15.457 1.00 0.00 H new ATOM 502 N ARG A 32 -5.141 2.433 -18.429 1.00 0.00 N ATOM 503 CA ARG A 32 -4.847 1.455 -19.495 1.00 0.00 C ATOM 504 C ARG A 32 -5.662 0.182 -19.465 1.00 0.00 C ATOM 505 O ARG A 32 -5.795 -0.513 -20.464 1.00 0.00 O ATOM 506 CB ARG A 32 -3.343 1.215 -19.590 1.00 0.00 C ATOM 507 CG ARG A 32 -2.839 -0.231 -19.566 1.00 0.00 C ATOM 508 CD ARG A 32 -3.026 -0.831 -18.170 1.00 0.00 C ATOM 509 NE ARG A 32 -1.767 -1.394 -17.648 1.00 0.00 N ATOM 510 CZ ARG A 32 -1.486 -2.629 -17.285 1.00 0.00 C ATOM 511 NH1 ARG A 32 -2.345 -3.607 -17.336 1.00 0.00 N ATOM 512 NH2 ARG A 32 -0.285 -2.878 -16.862 1.00 0.00 N ATOM 0 H ARG A 32 -4.966 2.056 -17.498 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.185 1.915 -20.424 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.990 1.676 -20.513 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.868 1.747 -18.766 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.381 -0.825 -20.301 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.786 -0.262 -19.845 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.391 -0.062 -17.489 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.786 -1.611 -18.208 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.000 -0.729 -17.554 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.293 -3.436 -17.671 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.069 -4.544 -17.041 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.406 -2.129 -16.819 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.032 -3.823 -16.573 1.00 0.00 H new ATOM 526 N ASN A 33 -6.226 -0.095 -18.309 1.00 0.00 N ATOM 527 CA ASN A 33 -7.150 -1.204 -18.098 1.00 0.00 C ATOM 528 C ASN A 33 -8.627 -0.734 -18.158 1.00 0.00 C ATOM 529 O ASN A 33 -9.542 -1.493 -17.885 1.00 0.00 O ATOM 530 CB ASN A 33 -6.681 -1.896 -16.819 1.00 0.00 C ATOM 531 CG ASN A 33 -7.398 -3.167 -16.468 1.00 0.00 C ATOM 532 OD1 ASN A 33 -7.827 -3.975 -17.271 1.00 0.00 O ATOM 533 ND2 ASN A 33 -7.545 -3.358 -15.191 1.00 0.00 N ATOM 0 H ASN A 33 -6.055 0.454 -17.466 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.136 -1.948 -18.895 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -5.617 -2.115 -16.915 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.789 -1.198 -15.989 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.024 -4.192 -14.852 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.181 -2.674 -14.528 1.00 0.00 H new ATOM 540 N TYR A 34 -8.835 0.538 -18.505 1.00 0.00 N ATOM 541 CA TYR A 34 -9.980 1.269 -19.120 1.00 0.00 C ATOM 542 C TYR A 34 -10.414 0.832 -20.528 1.00 0.00 C ATOM 543 O TYR A 34 -11.590 0.541 -20.737 1.00 0.00 O ATOM 544 CB TYR A 34 -9.671 2.772 -19.164 1.00 0.00 C ATOM 545 CG TYR A 34 -10.292 3.489 -18.045 1.00 0.00 C ATOM 546 CD1 TYR A 34 -11.643 3.845 -18.082 1.00 0.00 C ATOM 547 CD2 TYR A 34 -9.502 3.700 -16.923 1.00 0.00 C ATOM 548 CE1 TYR A 34 -12.203 4.461 -16.960 1.00 0.00 C ATOM 549 CE2 TYR A 34 -10.062 4.308 -15.815 1.00 0.00 C ATOM 550 CZ TYR A 34 -11.409 4.739 -15.822 1.00 0.00 C ATOM 551 OH TYR A 34 -11.950 5.372 -14.744 1.00 0.00 O ATOM 0 H TYR A 34 -8.080 1.203 -18.336 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.819 1.019 -18.470 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.592 2.922 -19.138 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.028 3.189 -20.106 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -12.241 3.648 -18.959 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.466 3.394 -16.916 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.250 4.727 -16.961 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -9.461 4.456 -14.930 1.00 0.00 H new ATOM 0 HH TYR A 34 -12.247 4.706 -14.089 1.00 0.00 H new ATOM 561 N PRO A 35 -9.477 0.737 -21.479 1.00 0.00 N ATOM 562 CA PRO A 35 -9.506 -0.128 -22.658 1.00 0.00 C ATOM 563 C PRO A 35 -10.311 -1.416 -22.489 1.00 0.00 C ATOM 564 O PRO A 35 -11.080 -1.831 -23.357 1.00 0.00 O ATOM 565 CB PRO A 35 -8.018 -0.409 -22.829 1.00 0.00 C ATOM 566 CG PRO A 35 -7.451 1.005 -22.672 1.00 0.00 C ATOM 567 CD PRO A 35 -8.236 1.481 -21.451 1.00 0.00 C ATOM 0 HA PRO A 35 -10.004 0.334 -23.511 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -7.636 -1.096 -22.074 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.787 -0.844 -23.801 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.375 1.004 -22.499 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -7.632 1.625 -23.550 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.684 1.291 -20.530 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.420 2.554 -21.496 1.00 0.00 H new ATOM 575 N THR A 36 -10.111 -2.021 -21.326 1.00 0.00 N ATOM 576 CA THR A 36 -10.685 -3.289 -20.863 1.00 0.00 C ATOM 577 C THR A 36 -11.787 -3.108 -19.802 1.00 0.00 C ATOM 578 O THR A 36 -12.576 -4.021 -19.558 1.00 0.00 O ATOM 579 CB THR A 36 -9.528 -4.169 -20.342 1.00 0.00 C ATOM 580 OG1 THR A 36 -8.322 -3.437 -20.202 1.00 0.00 O ATOM 581 CG2 THR A 36 -9.159 -5.221 -21.373 1.00 0.00 C ATOM 0 H THR A 36 -9.496 -1.611 -20.623 1.00 0.00 H new ATOM 0 HA THR A 36 -11.186 -3.775 -21.700 1.00 0.00 H new ATOM 0 HB THR A 36 -9.883 -4.575 -19.395 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.930 -3.617 -19.322 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.342 -5.834 -20.992 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.024 -5.853 -21.573 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.846 -4.732 -22.296 1.00 0.00 H new ATOM 589 N ASN A 37 -11.844 -1.931 -19.169 1.00 0.00 N ATOM 590 CA ASN A 37 -12.636 -1.517 -18.025 1.00 0.00 C ATOM 591 C ASN A 37 -12.779 -2.547 -16.908 1.00 0.00 C ATOM 592 O ASN A 37 -13.846 -2.779 -16.339 1.00 0.00 O ATOM 593 CB ASN A 37 -13.824 -0.648 -18.422 1.00 0.00 C ATOM 594 CG ASN A 37 -14.986 -1.368 -19.072 1.00 0.00 C ATOM 595 OD1 ASN A 37 -15.264 -1.221 -20.255 1.00 0.00 O ATOM 596 ND2 ASN A 37 -15.726 -2.150 -18.335 1.00 0.00 N ATOM 0 H ASN A 37 -11.262 -1.159 -19.493 1.00 0.00 H new ATOM 0 HA ASN A 37 -12.041 -0.808 -17.450 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -14.191 -0.139 -17.530 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -13.472 0.123 -19.107 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -16.526 -2.631 -18.746 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -15.504 -2.280 -17.348 1.00 0.00 H new ATOM 603 N THR A 38 -11.597 -2.994 -16.488 1.00 0.00 N ATOM 604 CA THR A 38 -11.318 -3.419 -15.115 1.00 0.00 C ATOM 605 C THR A 38 -10.501 -2.372 -14.332 1.00 0.00 C ATOM 606 O THR A 38 -10.462 -2.426 -13.105 1.00 0.00 O ATOM 607 CB THR A 38 -10.673 -4.805 -15.145 1.00 0.00 C ATOM 608 OG1 THR A 38 -11.418 -5.628 -16.009 1.00 0.00 O ATOM 609 CG2 THR A 38 -10.611 -5.485 -13.791 1.00 0.00 C ATOM 0 H THR A 38 -10.788 -3.073 -17.105 1.00 0.00 H new ATOM 0 HA THR A 38 -12.254 -3.496 -14.562 1.00 0.00 H new ATOM 0 HB THR A 38 -9.646 -4.662 -15.481 1.00 0.00 H new ATOM 0 HG1 THR A 38 -11.014 -6.521 -16.039 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.140 -6.463 -13.896 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.027 -4.873 -13.103 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.621 -5.609 -13.399 1.00 0.00 H new ATOM 617 N TYR A 39 -9.912 -1.385 -15.031 1.00 0.00 N ATOM 618 CA TYR A 39 -9.374 -0.088 -14.572 1.00 0.00 C ATOM 619 C TYR A 39 -9.233 0.225 -13.061 1.00 0.00 C ATOM 620 O TYR A 39 -8.121 0.517 -12.624 1.00 0.00 O ATOM 621 CB TYR A 39 -10.236 1.020 -15.183 1.00 0.00 C ATOM 622 CG TYR A 39 -11.631 1.230 -14.602 1.00 0.00 C ATOM 623 CD1 TYR A 39 -12.646 0.288 -14.823 1.00 0.00 C ATOM 624 CD2 TYR A 39 -11.899 2.339 -13.780 1.00 0.00 C ATOM 625 CE1 TYR A 39 -13.927 0.455 -14.272 1.00 0.00 C ATOM 626 CE2 TYR A 39 -13.188 2.538 -13.246 1.00 0.00 C ATOM 627 CZ TYR A 39 -14.210 1.595 -13.491 1.00 0.00 C ATOM 628 OH TYR A 39 -15.454 1.764 -12.964 1.00 0.00 O ATOM 0 H TYR A 39 -9.787 -1.486 -16.038 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.337 -0.147 -14.901 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -9.690 1.959 -15.093 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -10.343 0.814 -16.248 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -12.439 -0.582 -15.428 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -11.111 3.043 -13.556 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -14.693 -0.287 -14.446 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -13.394 3.413 -12.648 1.00 0.00 H new ATOM 0 HH TYR A 39 -15.482 2.599 -12.452 1.00 0.00 H new ATOM 638 N LYS A 40 -10.311 0.219 -12.253 1.00 0.00 N ATOM 639 CA LYS A 40 -10.358 0.734 -10.894 1.00 0.00 C ATOM 640 C LYS A 40 -9.476 -0.060 -9.954 1.00 0.00 C ATOM 641 O LYS A 40 -9.036 0.478 -8.941 1.00 0.00 O ATOM 642 CB LYS A 40 -11.820 0.693 -10.424 1.00 0.00 C ATOM 643 CG LYS A 40 -12.287 2.050 -9.915 1.00 0.00 C ATOM 644 CD LYS A 40 -11.558 2.508 -8.651 1.00 0.00 C ATOM 645 CE LYS A 40 -12.319 3.705 -8.096 1.00 0.00 C ATOM 646 NZ LYS A 40 -11.708 4.223 -6.845 1.00 0.00 N ATOM 0 H LYS A 40 -11.207 -0.165 -12.555 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.978 1.756 -10.885 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.458 0.374 -11.248 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -11.927 -0.049 -9.633 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.142 2.793 -10.699 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.357 2.005 -9.712 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.520 1.703 -7.917 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.528 2.780 -8.879 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.342 4.498 -8.843 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.353 3.419 -7.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.398 4.816 -6.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.429 3.425 -6.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.868 4.791 -7.078 1.00 0.00 H new ATOM 660 N THR A 41 -9.265 -1.326 -10.334 1.00 0.00 N ATOM 661 CA THR A 41 -8.236 -2.241 -9.850 1.00 0.00 C ATOM 662 C THR A 41 -7.956 -2.063 -8.369 1.00 0.00 C ATOM 663 O THR A 41 -7.080 -1.323 -7.942 1.00 0.00 O ATOM 664 CB THR A 41 -6.962 -2.170 -10.700 1.00 0.00 C ATOM 665 OG1 THR A 41 -6.429 -0.868 -10.802 1.00 0.00 O ATOM 666 CG2 THR A 41 -7.236 -2.644 -12.128 1.00 0.00 C ATOM 0 H THR A 41 -9.855 -1.766 -11.040 1.00 0.00 H new ATOM 0 HA THR A 41 -8.632 -3.250 -9.965 1.00 0.00 H new ATOM 0 HB THR A 41 -6.245 -2.812 -10.188 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.964 -0.344 -11.434 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.318 -2.585 -12.713 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.588 -3.675 -12.108 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.997 -2.010 -12.582 1.00 0.00 H new ATOM 674 N LEU A 42 -8.768 -2.729 -7.560 1.00 0.00 N ATOM 675 CA LEU A 42 -8.747 -2.547 -6.097 1.00 0.00 C ATOM 676 C LEU A 42 -7.352 -2.780 -5.463 1.00 0.00 C ATOM 677 O LEU A 42 -7.104 -2.271 -4.378 1.00 0.00 O ATOM 678 CB LEU A 42 -9.894 -3.304 -5.373 1.00 0.00 C ATOM 679 CG LEU A 42 -11.335 -2.880 -5.673 1.00 0.00 C ATOM 680 CD1 LEU A 42 -11.548 -1.435 -5.290 1.00 0.00 C ATOM 681 CD2 LEU A 42 -11.765 -3.103 -7.116 1.00 0.00 C ATOM 0 H LEU A 42 -9.457 -3.407 -7.885 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.952 -1.489 -5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.800 -4.363 -5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.733 -3.206 -4.299 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.965 -3.530 -5.066 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.577 -1.148 -5.509 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.355 -1.309 -4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.866 -0.803 -5.859 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.797 -2.777 -7.243 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.119 -2.530 -7.781 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.687 -4.163 -7.359 1.00 0.00 H new ATOM 693 N GLU A 43 -6.404 -3.442 -6.142 1.00 0.00 N ATOM 694 CA GLU A 43 -4.964 -3.417 -5.807 1.00 0.00 C ATOM 695 C GLU A 43 -4.269 -2.036 -5.862 1.00 0.00 C ATOM 696 O GLU A 43 -3.389 -1.790 -5.040 1.00 0.00 O ATOM 697 CB GLU A 43 -4.200 -4.500 -6.575 1.00 0.00 C ATOM 698 CG GLU A 43 -4.236 -4.391 -8.102 1.00 0.00 C ATOM 699 CD GLU A 43 -3.734 -5.720 -8.698 1.00 0.00 C ATOM 700 OE1 GLU A 43 -4.517 -6.702 -8.675 1.00 0.00 O ATOM 701 OE2 GLU A 43 -2.554 -5.823 -9.109 1.00 0.00 O ATOM 0 H GLU A 43 -6.615 -4.021 -6.954 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.928 -3.652 -4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.159 -4.480 -6.253 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.603 -5.472 -6.290 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.250 -4.182 -8.443 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.610 -3.565 -8.438 1.00 0.00 H new ATOM 708 N LEU A 44 -4.676 -1.104 -6.733 1.00 0.00 N ATOM 709 CA LEU A 44 -4.403 0.336 -6.624 1.00 0.00 C ATOM 710 C LEU A 44 -4.916 0.877 -5.286 1.00 0.00 C ATOM 711 O LEU A 44 -4.164 1.485 -4.528 1.00 0.00 O ATOM 712 CB LEU A 44 -5.099 1.040 -7.813 1.00 0.00 C ATOM 713 CG LEU A 44 -4.797 2.524 -8.058 1.00 0.00 C ATOM 714 CD1 LEU A 44 -5.499 2.936 -9.349 1.00 0.00 C ATOM 715 CD2 LEU A 44 -5.306 3.471 -6.971 1.00 0.00 C ATOM 0 H LEU A 44 -5.223 -1.339 -7.561 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.330 0.526 -6.658 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.840 0.494 -8.720 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.176 0.938 -7.676 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.711 2.610 -8.085 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.302 3.989 -9.550 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.124 2.332 -10.176 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.573 2.781 -9.245 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.046 4.497 -7.231 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.389 3.381 -6.888 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.846 3.211 -6.017 1.00 0.00 H new ATOM 727 N GLU A 45 -6.196 0.645 -4.996 1.00 0.00 N ATOM 728 CA GLU A 45 -6.862 1.152 -3.785 1.00 0.00 C ATOM 729 C GLU A 45 -6.148 0.671 -2.494 1.00 0.00 C ATOM 730 O GLU A 45 -5.811 1.464 -1.610 1.00 0.00 O ATOM 731 CB GLU A 45 -8.344 0.747 -3.851 1.00 0.00 C ATOM 732 CG GLU A 45 -9.294 1.688 -3.107 1.00 0.00 C ATOM 733 CD GLU A 45 -9.745 2.860 -3.999 1.00 0.00 C ATOM 734 OE1 GLU A 45 -10.750 2.714 -4.738 1.00 0.00 O ATOM 735 OE2 GLU A 45 -9.106 3.938 -3.969 1.00 0.00 O ATOM 0 H GLU A 45 -6.810 0.095 -5.597 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.801 2.240 -3.745 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.648 0.697 -4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.452 -0.257 -3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.167 1.131 -2.768 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.799 2.077 -2.217 1.00 0.00 H new ATOM 742 N ILE A 46 -5.843 -0.631 -2.433 1.00 0.00 N ATOM 743 CA ILE A 46 -4.986 -1.323 -1.440 1.00 0.00 C ATOM 744 C ILE A 46 -3.588 -0.703 -1.350 1.00 0.00 C ATOM 745 O ILE A 46 -3.118 -0.405 -0.252 1.00 0.00 O ATOM 746 CB ILE A 46 -4.887 -2.804 -1.847 1.00 0.00 C ATOM 747 CG1 ILE A 46 -6.181 -3.561 -1.589 1.00 0.00 C ATOM 748 CG2 ILE A 46 -3.687 -3.581 -1.268 1.00 0.00 C ATOM 749 CD1 ILE A 46 -6.378 -4.802 -2.465 1.00 0.00 C ATOM 0 H ILE A 46 -6.212 -1.284 -3.124 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.436 -1.220 -0.453 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.705 -2.752 -2.921 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.207 -3.863 -0.542 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.021 -2.884 -1.747 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.717 -4.612 -1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.759 -3.113 -1.595 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.736 -3.568 -0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -7.325 -5.279 -2.213 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.387 -4.509 -3.515 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.562 -5.503 -2.291 1.00 0.00 H new ATOM 761 N ALA A 47 -2.902 -0.530 -2.486 1.00 0.00 N ATOM 762 CA ALA A 47 -1.563 0.046 -2.524 1.00 0.00 C ATOM 763 C ALA A 47 -1.559 1.470 -1.957 1.00 0.00 C ATOM 764 O ALA A 47 -0.697 1.797 -1.149 1.00 0.00 O ATOM 765 CB ALA A 47 -1.005 0.002 -3.953 1.00 0.00 C ATOM 0 H ALA A 47 -3.265 -0.788 -3.404 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.909 -0.553 -1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.005 0.435 -3.967 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.957 -1.032 -4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.656 0.572 -4.616 1.00 0.00 H new ATOM 771 N GLU A 48 -2.528 2.312 -2.324 1.00 0.00 N ATOM 772 CA GLU A 48 -2.591 3.688 -1.808 1.00 0.00 C ATOM 773 C GLU A 48 -2.808 3.710 -0.288 1.00 0.00 C ATOM 774 O GLU A 48 -2.068 4.384 0.432 1.00 0.00 O ATOM 775 CB GLU A 48 -3.669 4.517 -2.525 1.00 0.00 C ATOM 776 CG GLU A 48 -3.203 4.981 -3.915 1.00 0.00 C ATOM 777 CD GLU A 48 -4.175 5.969 -4.601 1.00 0.00 C ATOM 778 OE1 GLU A 48 -5.255 6.296 -4.054 1.00 0.00 O ATOM 779 OE2 GLU A 48 -3.844 6.453 -5.712 1.00 0.00 O ATOM 0 H GLU A 48 -3.277 2.070 -2.973 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.626 4.149 -2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.577 3.923 -2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.923 5.386 -1.918 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.225 5.454 -3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.075 4.108 -4.555 1.00 0.00 H new ATOM 786 N SER A 49 -3.782 2.946 0.212 1.00 0.00 N ATOM 787 CA SER A 49 -4.079 2.862 1.648 1.00 0.00 C ATOM 788 C SER A 49 -2.929 2.265 2.479 1.00 0.00 C ATOM 789 O SER A 49 -2.566 2.856 3.496 1.00 0.00 O ATOM 790 CB SER A 49 -5.413 2.149 1.894 1.00 0.00 C ATOM 791 OG SER A 49 -5.509 0.943 1.165 1.00 0.00 O ATOM 0 H SER A 49 -4.389 2.366 -0.367 1.00 0.00 H new ATOM 0 HA SER A 49 -4.180 3.887 2.005 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.522 1.939 2.958 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.234 2.809 1.614 1.00 0.00 H new ATOM 0 HG SER A 49 -5.757 1.140 0.238 1.00 0.00 H new ATOM 797 N ASP A 50 -2.288 1.165 2.059 1.00 0.00 N ATOM 798 CA ASP A 50 -1.074 0.640 2.701 1.00 0.00 C ATOM 799 C ASP A 50 0.104 1.632 2.675 1.00 0.00 C ATOM 800 O ASP A 50 0.795 1.799 3.677 1.00 0.00 O ATOM 801 CB ASP A 50 -0.647 -0.674 2.040 1.00 0.00 C ATOM 802 CG ASP A 50 0.505 -1.322 2.820 1.00 0.00 C ATOM 803 OD1 ASP A 50 0.254 -1.892 3.907 1.00 0.00 O ATOM 804 OD2 ASP A 50 1.671 -1.251 2.370 1.00 0.00 O ATOM 0 H ASP A 50 -2.599 0.612 1.260 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.331 0.471 3.747 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.495 -1.358 1.997 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.337 -0.486 1.012 1.00 0.00 H new ATOM 809 N VAL A 51 0.337 2.328 1.560 1.00 0.00 N ATOM 810 CA VAL A 51 1.416 3.326 1.440 1.00 0.00 C ATOM 811 C VAL A 51 1.150 4.546 2.334 1.00 0.00 C ATOM 812 O VAL A 51 2.076 5.212 2.796 1.00 0.00 O ATOM 813 CB VAL A 51 1.671 3.670 -0.041 1.00 0.00 C ATOM 814 CG1 VAL A 51 2.575 4.887 -0.232 1.00 0.00 C ATOM 815 CG2 VAL A 51 2.348 2.460 -0.699 1.00 0.00 C ATOM 0 H VAL A 51 -0.216 2.219 0.710 1.00 0.00 H new ATOM 0 HA VAL A 51 2.346 2.897 1.814 1.00 0.00 H new ATOM 0 HB VAL A 51 0.708 3.909 -0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.713 5.074 -1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.114 5.759 0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.543 4.698 0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.540 2.677 -1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.291 2.251 -0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.695 1.591 -0.622 1.00 0.00 H new ATOM 825 N GLU A 52 -0.105 4.795 2.692 1.00 0.00 N ATOM 826 CA GLU A 52 -0.461 5.755 3.735 1.00 0.00 C ATOM 827 C GLU A 52 -0.371 5.225 5.181 1.00 0.00 C ATOM 828 O GLU A 52 -0.269 6.034 6.106 1.00 0.00 O ATOM 829 CB GLU A 52 -1.844 6.350 3.440 1.00 0.00 C ATOM 830 CG GLU A 52 -1.801 7.388 2.318 1.00 0.00 C ATOM 831 CD GLU A 52 -3.163 8.090 2.157 1.00 0.00 C ATOM 832 OE1 GLU A 52 -4.049 7.568 1.437 1.00 0.00 O ATOM 833 OE2 GLU A 52 -3.357 9.182 2.747 1.00 0.00 O ATOM 0 H GLU A 52 -0.909 4.335 2.266 1.00 0.00 H new ATOM 0 HA GLU A 52 0.301 6.533 3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.531 5.549 3.165 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.239 6.812 4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.030 8.128 2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.525 6.904 1.381 1.00 0.00 H new ATOM 840 N VAL A 53 -0.283 3.908 5.414 1.00 0.00 N ATOM 841 CA VAL A 53 0.213 3.375 6.703 1.00 0.00 C ATOM 842 C VAL A 53 1.666 3.807 6.875 1.00 0.00 C ATOM 843 O VAL A 53 2.077 4.241 7.950 1.00 0.00 O ATOM 844 CB VAL A 53 0.142 1.832 6.787 1.00 0.00 C ATOM 845 CG1 VAL A 53 0.552 1.289 8.160 1.00 0.00 C ATOM 846 CG2 VAL A 53 -1.266 1.308 6.512 1.00 0.00 C ATOM 0 H VAL A 53 -0.545 3.192 4.736 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.427 3.772 7.491 1.00 0.00 H new ATOM 0 HB VAL A 53 0.842 1.487 6.026 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.482 0.201 8.157 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.578 1.586 8.377 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.112 1.693 8.924 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.269 0.220 6.581 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.958 1.721 7.246 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.577 1.609 5.512 1.00 0.00 H new ATOM 856 N LYS A 54 2.433 3.744 5.780 1.00 0.00 N ATOM 857 CA LYS A 54 3.857 4.057 5.734 1.00 0.00 C ATOM 858 C LYS A 54 4.065 5.537 6.009 1.00 0.00 C ATOM 859 O LYS A 54 4.845 5.903 6.883 1.00 0.00 O ATOM 860 CB LYS A 54 4.399 3.632 4.360 1.00 0.00 C ATOM 861 CG LYS A 54 5.007 2.222 4.388 1.00 0.00 C ATOM 862 CD LYS A 54 3.912 1.144 4.435 1.00 0.00 C ATOM 863 CE LYS A 54 4.513 -0.262 4.524 1.00 0.00 C ATOM 864 NZ LYS A 54 3.452 -1.302 4.509 1.00 0.00 N ATOM 0 H LYS A 54 2.061 3.463 4.873 1.00 0.00 H new ATOM 0 HA LYS A 54 4.406 3.513 6.502 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.593 3.664 3.627 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.155 4.346 4.033 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.629 2.074 3.505 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.658 2.121 5.257 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.264 1.319 5.294 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.288 1.219 3.544 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.195 -0.422 3.689 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.101 -0.352 5.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.879 -2.236 4.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.759 -1.102 5.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.974 -1.297 3.585 1.00 0.00 H new ATOM 878 N LYS A 55 3.271 6.374 5.337 1.00 0.00 N ATOM 879 CA LYS A 55 3.165 7.816 5.577 1.00 0.00 C ATOM 880 C LYS A 55 2.998 8.163 7.058 1.00 0.00 C ATOM 881 O LYS A 55 3.756 8.964 7.602 1.00 0.00 O ATOM 882 CB LYS A 55 1.977 8.343 4.747 1.00 0.00 C ATOM 883 CG LYS A 55 1.932 9.852 4.526 1.00 0.00 C ATOM 884 CD LYS A 55 3.241 10.320 3.885 1.00 0.00 C ATOM 885 CE LYS A 55 4.209 10.889 4.935 1.00 0.00 C ATOM 886 NZ LYS A 55 3.808 12.241 5.409 1.00 0.00 N ATOM 0 H LYS A 55 2.662 6.055 4.583 1.00 0.00 H new ATOM 0 HA LYS A 55 4.095 8.295 5.271 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.994 7.854 3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.053 8.040 5.239 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.089 10.110 3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.778 10.364 5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.713 9.485 3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.028 11.081 3.134 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.257 10.209 5.786 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.212 10.939 4.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.615 12.697 5.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.509 12.819 4.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.019 12.153 6.081 1.00 0.00 H new ATOM 900 N ALA A 56 2.027 7.527 7.703 1.00 0.00 N ATOM 901 CA ALA A 56 1.703 7.750 9.109 1.00 0.00 C ATOM 902 C ALA A 56 2.831 7.277 10.052 1.00 0.00 C ATOM 903 O ALA A 56 3.108 7.923 11.063 1.00 0.00 O ATOM 904 CB ALA A 56 0.355 7.085 9.400 1.00 0.00 C ATOM 0 H ALA A 56 1.432 6.829 7.257 1.00 0.00 H new ATOM 0 HA ALA A 56 1.617 8.819 9.303 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.092 7.239 10.447 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.413 7.526 8.764 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.425 6.016 9.197 1.00 0.00 H new ATOM 910 N GLU A 57 3.541 6.198 9.706 1.00 0.00 N ATOM 911 CA GLU A 57 4.757 5.785 10.418 1.00 0.00 C ATOM 912 C GLU A 57 5.903 6.799 10.314 1.00 0.00 C ATOM 913 O GLU A 57 6.566 7.046 11.322 1.00 0.00 O ATOM 914 CB GLU A 57 5.232 4.395 9.973 1.00 0.00 C ATOM 915 CG GLU A 57 4.294 3.314 10.496 1.00 0.00 C ATOM 916 CD GLU A 57 4.930 1.917 10.372 1.00 0.00 C ATOM 917 OE1 GLU A 57 4.897 1.324 9.266 1.00 0.00 O ATOM 918 OE2 GLU A 57 5.473 1.401 11.379 1.00 0.00 O ATOM 0 H GLU A 57 3.291 5.588 8.928 1.00 0.00 H new ATOM 0 HA GLU A 57 4.472 5.739 11.469 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.275 4.351 8.885 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.243 4.216 10.340 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.050 3.514 11.539 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.357 3.341 9.939 1.00 0.00 H new ATOM 925 N LEU A 58 6.128 7.434 9.154 1.00 0.00 N ATOM 926 CA LEU A 58 7.156 8.479 9.046 1.00 0.00 C ATOM 927 C LEU A 58 6.830 9.669 9.967 1.00 0.00 C ATOM 928 O LEU A 58 7.722 10.320 10.508 1.00 0.00 O ATOM 929 CB LEU A 58 7.362 8.985 7.603 1.00 0.00 C ATOM 930 CG LEU A 58 7.319 8.007 6.418 1.00 0.00 C ATOM 931 CD1 LEU A 58 7.943 8.736 5.231 1.00 0.00 C ATOM 932 CD2 LEU A 58 8.074 6.707 6.682 1.00 0.00 C ATOM 0 H LEU A 58 5.620 7.246 8.290 1.00 0.00 H new ATOM 0 HA LEU A 58 8.089 8.011 9.362 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.605 9.747 7.418 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.330 9.484 7.573 1.00 0.00 H new ATOM 0 HG LEU A 58 6.285 7.716 6.233 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.937 8.082 4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.368 9.636 5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.970 9.011 5.472 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.004 6.062 5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.121 6.930 6.886 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.636 6.200 7.542 1.00 0.00 H new ATOM 944 N GLU A 59 5.541 9.947 10.166 1.00 0.00 N ATOM 945 CA GLU A 59 5.065 11.011 11.050 1.00 0.00 C ATOM 946 C GLU A 59 5.260 10.646 12.535 1.00 0.00 C ATOM 947 O GLU A 59 5.689 11.494 13.319 1.00 0.00 O ATOM 948 CB GLU A 59 3.614 11.356 10.683 1.00 0.00 C ATOM 949 CG GLU A 59 3.555 12.037 9.313 1.00 0.00 C ATOM 950 CD GLU A 59 2.134 12.278 8.769 1.00 0.00 C ATOM 951 OE1 GLU A 59 1.175 12.469 9.556 1.00 0.00 O ATOM 952 OE2 GLU A 59 1.988 12.316 7.522 1.00 0.00 O ATOM 0 H GLU A 59 4.788 9.432 9.711 1.00 0.00 H new ATOM 0 HA GLU A 59 5.664 11.910 10.904 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.010 10.449 10.671 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.187 12.013 11.441 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.071 12.995 9.377 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.104 11.427 8.596 1.00 0.00 H new ATOM 959 N LEU A 60 5.062 9.377 12.918 1.00 0.00 N ATOM 960 CA LEU A 60 5.513 8.833 14.205 1.00 0.00 C ATOM 961 C LEU A 60 7.025 9.044 14.428 1.00 0.00 C ATOM 962 O LEU A 60 7.395 9.505 15.501 1.00 0.00 O ATOM 963 CB LEU A 60 4.970 7.401 14.404 1.00 0.00 C ATOM 964 CG LEU A 60 5.948 6.226 14.598 1.00 0.00 C ATOM 965 CD1 LEU A 60 6.634 6.194 15.968 1.00 0.00 C ATOM 966 CD2 LEU A 60 5.109 4.953 14.528 1.00 0.00 C ATOM 0 H LEU A 60 4.579 8.693 12.336 1.00 0.00 H new ATOM 0 HA LEU A 60 5.076 9.404 15.025 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.312 7.422 15.273 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.349 7.167 13.539 1.00 0.00 H new ATOM 0 HG LEU A 60 6.723 6.323 13.838 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.304 5.336 16.019 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.206 7.111 16.110 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.880 6.112 16.751 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.754 4.084 14.660 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.357 4.969 15.317 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.616 4.895 13.557 1.00 0.00 H new ATOM 978 N VAL A 61 7.902 8.800 13.440 1.00 0.00 N ATOM 979 CA VAL A 61 9.368 9.034 13.559 1.00 0.00 C ATOM 980 C VAL A 61 9.728 10.483 13.961 1.00 0.00 C ATOM 981 O VAL A 61 10.620 10.712 14.790 1.00 0.00 O ATOM 982 CB VAL A 61 10.123 8.555 12.300 1.00 0.00 C ATOM 983 CG1 VAL A 61 11.623 8.873 12.331 1.00 0.00 C ATOM 984 CG2 VAL A 61 10.008 7.031 12.147 1.00 0.00 C ATOM 0 H VAL A 61 7.623 8.434 12.530 1.00 0.00 H new ATOM 0 HA VAL A 61 9.712 8.419 14.391 1.00 0.00 H new ATOM 0 HB VAL A 61 9.657 9.089 11.472 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.091 8.509 11.416 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.765 9.951 12.407 1.00 0.00 H new ATOM 0 HG13 VAL A 61 12.081 8.385 13.192 1.00 0.00 H new ATOM 0 HG21 VAL A 61 10.546 6.713 11.254 1.00 0.00 H new ATOM 0 HG22 VAL A 61 10.438 6.544 13.022 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.958 6.753 12.056 1.00 0.00 H new ATOM 994 N LYS A 62 8.983 11.474 13.458 1.00 0.00 N ATOM 995 CA LYS A 62 9.074 12.866 13.928 1.00 0.00 C ATOM 996 C LYS A 62 8.782 13.003 15.422 1.00 0.00 C ATOM 997 O LYS A 62 9.606 13.490 16.191 1.00 0.00 O ATOM 998 CB LYS A 62 8.153 13.749 13.106 1.00 0.00 C ATOM 999 CG LYS A 62 8.625 15.196 13.282 1.00 0.00 C ATOM 1000 CD LYS A 62 7.575 16.154 12.744 1.00 0.00 C ATOM 1001 CE LYS A 62 7.214 15.974 11.262 1.00 0.00 C ATOM 1002 NZ LYS A 62 8.268 16.503 10.361 1.00 0.00 N ATOM 0 H LYS A 62 8.299 11.336 12.714 1.00 0.00 H new ATOM 0 HA LYS A 62 10.104 13.195 13.788 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.183 13.461 12.055 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.120 13.639 13.437 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.810 15.401 14.336 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.569 15.346 12.758 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.668 16.042 13.337 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.929 17.174 12.893 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.058 14.916 11.054 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.272 16.482 11.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.939 16.454 9.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.472 17.492 10.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.132 15.934 10.466 1.00 0.00 H new ATOM 1016 N GLU A 63 7.605 12.549 15.827 1.00 0.00 N ATOM 1017 CA GLU A 63 7.079 12.617 17.199 1.00 0.00 C ATOM 1018 C GLU A 63 7.918 11.788 18.190 1.00 0.00 C ATOM 1019 O GLU A 63 7.964 12.055 19.390 1.00 0.00 O ATOM 1020 CB GLU A 63 5.619 12.140 17.176 1.00 0.00 C ATOM 1021 CG GLU A 63 4.714 13.105 16.398 1.00 0.00 C ATOM 1022 CD GLU A 63 3.218 12.721 16.415 1.00 0.00 C ATOM 1023 OE1 GLU A 63 2.842 11.649 16.946 1.00 0.00 O ATOM 1024 OE2 GLU A 63 2.401 13.509 15.877 1.00 0.00 O ATOM 0 H GLU A 63 6.953 12.100 15.184 1.00 0.00 H new ATOM 0 HA GLU A 63 7.135 13.648 17.550 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.568 11.150 16.724 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.253 12.043 18.198 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.826 14.106 16.815 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.054 13.151 15.364 1.00 0.00 H new ATOM 1031 N GLU A 64 8.639 10.807 17.660 1.00 0.00 N ATOM 1032 CA GLU A 64 9.607 9.958 18.346 1.00 0.00 C ATOM 1033 C GLU A 64 10.822 10.746 18.861 1.00 0.00 C ATOM 1034 O GLU A 64 11.345 10.412 19.923 1.00 0.00 O ATOM 1035 CB GLU A 64 9.910 8.784 17.416 1.00 0.00 C ATOM 1036 CG GLU A 64 11.304 8.185 17.492 1.00 0.00 C ATOM 1037 CD GLU A 64 11.661 7.557 18.851 1.00 0.00 C ATOM 1038 OE1 GLU A 64 10.745 7.224 19.640 1.00 0.00 O ATOM 1039 OE2 GLU A 64 12.873 7.372 19.118 1.00 0.00 O ATOM 0 H GLU A 64 8.557 10.567 16.672 1.00 0.00 H new ATOM 0 HA GLU A 64 9.202 9.551 19.273 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.190 7.993 17.624 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.737 9.111 16.391 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.400 7.423 16.719 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.032 8.964 17.264 1.00 0.00 H new ATOM 1046 N ALA A 65 11.230 11.831 18.194 1.00 0.00 N ATOM 1047 CA ALA A 65 11.920 12.924 18.906 1.00 0.00 C ATOM 1048 C ALA A 65 10.956 13.870 19.655 1.00 0.00 C ATOM 1049 O ALA A 65 11.178 14.222 20.816 1.00 0.00 O ATOM 1050 CB ALA A 65 12.771 13.724 17.917 1.00 0.00 C ATOM 0 H ALA A 65 11.102 11.979 17.193 1.00 0.00 H new ATOM 0 HA ALA A 65 12.551 12.459 19.664 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.280 14.531 18.444 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.510 13.067 17.459 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.130 14.145 17.142 1.00 0.00 H new ATOM 1056 N LYS A 66 9.931 14.359 18.954 1.00 0.00 N ATOM 1057 CA LYS A 66 9.419 15.709 19.106 1.00 0.00 C ATOM 1058 C LYS A 66 7.990 15.869 19.648 1.00 0.00 C ATOM 1059 O LYS A 66 7.296 16.802 19.247 1.00 0.00 O ATOM 1060 CB LYS A 66 9.622 16.310 17.700 1.00 0.00 C ATOM 1061 CG LYS A 66 10.225 17.690 17.753 1.00 0.00 C ATOM 1062 CD LYS A 66 11.693 17.729 18.198 1.00 0.00 C ATOM 1063 CE LYS A 66 12.178 19.182 18.287 1.00 0.00 C ATOM 1064 NZ LYS A 66 13.605 19.263 18.697 1.00 0.00 N ATOM 0 H LYS A 66 9.429 13.813 18.254 1.00 0.00 H new ATOM 0 HA LYS A 66 9.952 16.231 19.900 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.269 15.655 17.117 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.663 16.354 17.183 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.146 18.145 16.766 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.636 18.304 18.435 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.801 17.241 19.167 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.310 17.174 17.492 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.049 19.668 17.320 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.563 19.728 19.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.896 20.260 18.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.723 18.821 19.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.195 18.764 18.001 1.00 0.00 H new ATOM 1078 N GLU A 67 7.550 15.012 20.579 1.00 0.00 N ATOM 1079 CA GLU A 67 6.214 15.137 21.224 1.00 0.00 C ATOM 1080 C GLU A 67 6.021 15.161 22.769 1.00 0.00 C ATOM 1081 O GLU A 67 5.670 14.161 23.400 1.00 0.00 O ATOM 1082 CB GLU A 67 5.324 14.078 20.596 1.00 0.00 C ATOM 1083 CG GLU A 67 4.252 14.651 19.696 1.00 0.00 C ATOM 1084 CD GLU A 67 3.105 15.390 20.419 1.00 0.00 C ATOM 1085 OE1 GLU A 67 3.363 16.155 21.378 1.00 0.00 O ATOM 1086 OE2 GLU A 67 1.931 15.236 20.004 1.00 0.00 O ATOM 0 H GLU A 67 8.095 14.217 20.911 1.00 0.00 H new ATOM 0 HA GLU A 67 5.959 16.178 21.026 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.942 13.390 20.020 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.851 13.496 21.387 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.721 15.341 18.995 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.824 13.840 19.107 1.00 0.00 H new ATOM 1093 N PRO A 68 6.461 16.235 23.439 1.00 0.00 N ATOM 1094 CA PRO A 68 7.895 16.171 23.567 1.00 0.00 C ATOM 1095 C PRO A 68 8.395 15.149 24.554 1.00 0.00 C ATOM 1096 O PRO A 68 8.471 15.297 25.775 1.00 0.00 O ATOM 1097 CB PRO A 68 8.510 17.527 23.469 1.00 0.00 C ATOM 1098 CG PRO A 68 7.471 18.190 22.587 1.00 0.00 C ATOM 1099 CD PRO A 68 6.163 17.613 23.087 1.00 0.00 C ATOM 0 HA PRO A 68 8.333 15.691 22.692 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.613 18.014 24.438 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.500 17.509 23.014 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.495 19.275 22.685 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.634 17.962 21.534 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.792 18.168 23.949 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.391 17.665 22.319 1.00 0.00 H new ATOM 1107 N ARG A 69 8.583 14.035 23.863 1.00 0.00 N ATOM 1108 CA ARG A 69 8.675 12.668 24.219 1.00 0.00 C ATOM 1109 C ARG A 69 7.979 12.266 25.504 1.00 0.00 C ATOM 1110 O ARG A 69 8.551 11.751 26.463 1.00 0.00 O ATOM 1111 CB ARG A 69 10.137 12.297 23.996 1.00 0.00 C ATOM 1112 CG ARG A 69 10.321 11.418 22.765 1.00 0.00 C ATOM 1113 CD ARG A 69 9.161 10.451 22.503 1.00 0.00 C ATOM 1114 NE ARG A 69 9.615 9.132 22.053 1.00 0.00 N ATOM 1115 CZ ARG A 69 9.878 8.089 22.824 1.00 0.00 C ATOM 1116 NH1 ARG A 69 9.828 8.154 24.125 1.00 0.00 N ATOM 1117 NH2 ARG A 69 10.197 6.947 22.303 1.00 0.00 N ATOM 0 H ARG A 69 8.692 14.117 22.852 1.00 0.00 H new ATOM 0 HA ARG A 69 8.064 12.025 23.586 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.729 13.206 23.885 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.517 11.775 24.874 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.450 12.058 21.892 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.240 10.843 22.877 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.575 10.337 23.415 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.499 10.879 21.750 1.00 0.00 H new ATOM 0 HE ARG A 69 9.740 9.006 21.049 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.579 9.031 24.583 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.038 7.328 24.685 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.247 6.845 21.289 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.398 6.149 22.906 1.00 0.00 H new ATOM 1131 N ASN A 70 6.671 12.457 25.402 1.00 0.00 N ATOM 1132 CA ASN A 70 5.668 12.028 26.354 1.00 0.00 C ATOM 1133 C ASN A 70 5.175 10.599 26.096 1.00 0.00 C ATOM 1134 O ASN A 70 4.537 10.005 26.962 1.00 0.00 O ATOM 1135 CB ASN A 70 4.540 13.076 26.348 1.00 0.00 C ATOM 1136 CG ASN A 70 3.419 12.773 27.328 1.00 0.00 C ATOM 1137 OD1 ASN A 70 2.341 12.337 26.953 1.00 0.00 O ATOM 1138 ND2 ASN A 70 3.628 13.002 28.606 1.00 0.00 N ATOM 0 H ASN A 70 6.263 12.944 24.604 1.00 0.00 H new ATOM 0 HA ASN A 70 6.103 11.974 27.352 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.962 14.053 26.584 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.124 13.143 25.343 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.890 12.816 29.285 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.528 13.366 28.918 1.00 0.00 H new ATOM 1145 N GLU A 71 5.526 10.029 24.936 1.00 0.00 N ATOM 1146 CA GLU A 71 5.570 8.599 24.652 1.00 0.00 C ATOM 1147 C GLU A 71 4.195 7.931 24.457 1.00 0.00 C ATOM 1148 O GLU A 71 4.059 7.034 23.630 1.00 0.00 O ATOM 1149 CB GLU A 71 6.492 7.951 25.697 1.00 0.00 C ATOM 1150 CG GLU A 71 6.970 6.611 25.184 1.00 0.00 C ATOM 1151 CD GLU A 71 8.006 5.952 26.113 1.00 0.00 C ATOM 1152 OE1 GLU A 71 7.618 5.351 27.144 1.00 0.00 O ATOM 1153 OE2 GLU A 71 9.222 6.027 25.801 1.00 0.00 O ATOM 0 H GLU A 71 5.801 10.589 24.129 1.00 0.00 H new ATOM 0 HA GLU A 71 5.996 8.433 23.663 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.344 8.600 25.899 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.959 7.823 26.639 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.115 5.945 25.070 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.407 6.741 24.194 1.00 0.00 H new ATOM 1160 N GLU A 72 3.139 8.456 25.078 1.00 0.00 N ATOM 1161 CA GLU A 72 1.745 8.164 24.724 1.00 0.00 C ATOM 1162 C GLU A 72 1.469 8.443 23.241 1.00 0.00 C ATOM 1163 O GLU A 72 0.752 7.700 22.570 1.00 0.00 O ATOM 1164 CB GLU A 72 0.814 9.067 25.538 1.00 0.00 C ATOM 1165 CG GLU A 72 0.693 8.678 27.013 1.00 0.00 C ATOM 1166 CD GLU A 72 -0.188 9.674 27.801 1.00 0.00 C ATOM 1167 OE1 GLU A 72 -0.886 10.519 27.183 1.00 0.00 O ATOM 1168 OE2 GLU A 72 -0.205 9.601 29.055 1.00 0.00 O ATOM 0 H GLU A 72 3.227 9.109 25.857 1.00 0.00 H new ATOM 0 HA GLU A 72 1.569 7.109 24.935 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.174 10.094 25.473 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.178 9.048 25.087 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.268 7.677 27.091 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.686 8.639 27.461 1.00 0.00 H new ATOM 1175 N LYS A 73 2.007 9.560 22.735 1.00 0.00 N ATOM 1176 CA LYS A 73 1.596 10.145 21.457 1.00 0.00 C ATOM 1177 C LYS A 73 2.039 9.318 20.248 1.00 0.00 C ATOM 1178 O LYS A 73 1.251 9.078 19.341 1.00 0.00 O ATOM 1179 CB LYS A 73 2.053 11.603 21.363 1.00 0.00 C ATOM 1180 CG LYS A 73 1.735 12.443 22.578 1.00 0.00 C ATOM 1181 CD LYS A 73 0.296 12.308 23.079 1.00 0.00 C ATOM 1182 CE LYS A 73 0.392 12.928 24.449 1.00 0.00 C ATOM 1183 NZ LYS A 73 -0.765 12.649 25.340 1.00 0.00 N ATOM 0 H LYS A 73 2.744 10.085 23.206 1.00 0.00 H new ATOM 0 HA LYS A 73 0.506 10.129 21.430 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.130 11.622 21.197 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.587 12.060 20.490 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.415 12.167 23.384 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.928 13.489 22.342 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.412 12.835 22.439 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.027 11.268 23.122 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.300 12.569 24.933 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.496 14.007 24.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.939 13.472 25.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.610 12.461 24.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.557 11.818 25.930 1.00 0.00 H new ATOM 1197 N VAL A 74 3.271 8.808 20.271 1.00 0.00 N ATOM 1198 CA VAL A 74 3.798 7.858 19.276 1.00 0.00 C ATOM 1199 C VAL A 74 3.081 6.504 19.313 1.00 0.00 C ATOM 1200 O VAL A 74 2.841 5.909 18.263 1.00 0.00 O ATOM 1201 CB VAL A 74 5.318 7.666 19.440 1.00 0.00 C ATOM 1202 CG1 VAL A 74 6.059 8.835 18.795 1.00 0.00 C ATOM 1203 CG2 VAL A 74 5.814 7.519 20.884 1.00 0.00 C ATOM 0 H VAL A 74 3.949 9.046 20.995 1.00 0.00 H new ATOM 0 HA VAL A 74 3.603 8.299 18.298 1.00 0.00 H new ATOM 0 HB VAL A 74 5.530 6.717 18.947 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.133 8.695 18.914 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.814 8.880 17.734 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.759 9.766 19.276 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.896 7.389 20.886 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.555 8.413 21.451 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.344 6.650 21.344 1.00 0.00 H new ATOM 1213 N LYS A 75 2.666 6.030 20.495 1.00 0.00 N ATOM 1214 CA LYS A 75 1.824 4.827 20.633 1.00 0.00 C ATOM 1215 C LYS A 75 0.430 5.018 20.039 1.00 0.00 C ATOM 1216 O LYS A 75 -0.030 4.175 19.271 1.00 0.00 O ATOM 1217 CB LYS A 75 1.742 4.416 22.110 1.00 0.00 C ATOM 1218 CG LYS A 75 3.082 3.907 22.671 1.00 0.00 C ATOM 1219 CD LYS A 75 3.772 2.806 21.848 1.00 0.00 C ATOM 1220 CE LYS A 75 2.820 1.655 21.498 1.00 0.00 C ATOM 1221 NZ LYS A 75 3.552 0.515 20.884 1.00 0.00 N ATOM 0 H LYS A 75 2.903 6.468 21.385 1.00 0.00 H new ATOM 0 HA LYS A 75 2.294 4.026 20.062 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.409 5.269 22.700 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.988 3.637 22.223 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.764 4.753 22.757 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.913 3.530 23.680 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.169 3.238 20.929 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.621 2.414 22.409 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.307 1.318 22.399 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.054 2.011 20.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.881 -0.247 20.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.021 0.833 20.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.266 0.161 21.552 1.00 0.00 H new ATOM 1235 N GLN A 76 -0.208 6.151 20.318 1.00 0.00 N ATOM 1236 CA GLN A 76 -1.433 6.573 19.638 1.00 0.00 C ATOM 1237 C GLN A 76 -1.236 6.705 18.120 1.00 0.00 C ATOM 1238 O GLN A 76 -2.133 6.336 17.362 1.00 0.00 O ATOM 1239 CB GLN A 76 -1.911 7.898 20.240 1.00 0.00 C ATOM 1240 CG GLN A 76 -3.148 8.472 19.532 1.00 0.00 C ATOM 1241 CD GLN A 76 -4.398 7.602 19.648 1.00 0.00 C ATOM 1242 OE1 GLN A 76 -5.109 7.608 20.645 1.00 0.00 O ATOM 1243 NE2 GLN A 76 -4.721 6.830 18.633 1.00 0.00 N ATOM 0 H GLN A 76 0.112 6.809 21.028 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.191 5.804 19.789 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -2.141 7.749 21.295 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.101 8.626 20.190 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.365 9.457 19.946 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.915 8.614 18.477 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.137 6.816 17.797 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.555 6.245 18.682 1.00 0.00 H new ATOM 1252 N ALA A 77 -0.080 7.192 17.661 1.00 0.00 N ATOM 1253 CA ALA A 77 0.196 7.324 16.231 1.00 0.00 C ATOM 1254 C ALA A 77 0.205 5.936 15.581 1.00 0.00 C ATOM 1255 O ALA A 77 -0.478 5.716 14.582 1.00 0.00 O ATOM 1256 CB ALA A 77 1.499 8.096 16.005 1.00 0.00 C ATOM 0 H ALA A 77 0.682 7.502 18.264 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.592 7.904 15.752 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.689 8.185 14.935 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.413 9.091 16.442 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.324 7.563 16.477 1.00 0.00 H new ATOM 1262 N LYS A 78 0.867 4.956 16.216 1.00 0.00 N ATOM 1263 CA LYS A 78 0.774 3.543 15.833 1.00 0.00 C ATOM 1264 C LYS A 78 -0.658 2.997 15.860 1.00 0.00 C ATOM 1265 O LYS A 78 -0.991 2.183 15.004 1.00 0.00 O ATOM 1266 CB LYS A 78 1.726 2.689 16.684 1.00 0.00 C ATOM 1267 CG LYS A 78 2.155 1.418 15.925 1.00 0.00 C ATOM 1268 CD LYS A 78 1.864 0.105 16.665 1.00 0.00 C ATOM 1269 CE LYS A 78 0.365 -0.222 16.636 1.00 0.00 C ATOM 1270 NZ LYS A 78 0.083 -1.585 17.154 1.00 0.00 N ATOM 0 H LYS A 78 1.483 5.124 17.011 1.00 0.00 H new ATOM 0 HA LYS A 78 1.088 3.479 14.791 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.607 3.274 16.948 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.236 2.412 17.617 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.647 1.397 14.961 1.00 0.00 H new ATOM 0 HG3 LYS A 78 3.224 1.476 15.721 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.426 -0.708 16.205 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.203 0.183 17.698 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.178 0.512 17.232 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.005 -0.139 15.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.889 -1.858 16.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.752 -2.261 16.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.188 -1.592 18.189 1.00 0.00 H new ATOM 1284 N ALA A 79 -1.526 3.432 16.780 1.00 0.00 N ATOM 1285 CA ALA A 79 -2.929 3.003 16.773 1.00 0.00 C ATOM 1286 C ALA A 79 -3.719 3.579 15.576 1.00 0.00 C ATOM 1287 O ALA A 79 -4.682 2.967 15.111 1.00 0.00 O ATOM 1288 CB ALA A 79 -3.569 3.344 18.122 1.00 0.00 C ATOM 0 H ALA A 79 -1.285 4.076 17.533 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.962 1.922 16.638 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.612 3.027 18.121 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.034 2.828 18.919 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.517 4.420 18.288 1.00 0.00 H new ATOM 1294 N GLU A 80 -3.296 4.725 15.029 1.00 0.00 N ATOM 1295 CA GLU A 80 -3.844 5.276 13.786 1.00 0.00 C ATOM 1296 C GLU A 80 -3.307 4.510 12.575 1.00 0.00 C ATOM 1297 O GLU A 80 -4.109 4.090 11.740 1.00 0.00 O ATOM 1298 CB GLU A 80 -3.568 6.782 13.659 1.00 0.00 C ATOM 1299 CG GLU A 80 -4.305 7.570 14.747 1.00 0.00 C ATOM 1300 CD GLU A 80 -4.052 9.083 14.610 1.00 0.00 C ATOM 1301 OE1 GLU A 80 -4.771 9.752 13.826 1.00 0.00 O ATOM 1302 OE2 GLU A 80 -3.147 9.619 15.293 1.00 0.00 O ATOM 0 H GLU A 80 -2.559 5.299 15.440 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.926 5.152 13.817 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.496 6.966 13.734 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.883 7.131 12.676 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.375 7.371 14.682 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.977 7.232 15.730 1.00 0.00 H new ATOM 1309 N VAL A 81 -1.993 4.241 12.491 1.00 0.00 N ATOM 1310 CA VAL A 81 -1.444 3.426 11.393 1.00 0.00 C ATOM 1311 C VAL A 81 -2.072 2.028 11.372 1.00 0.00 C ATOM 1312 O VAL A 81 -2.370 1.502 10.303 1.00 0.00 O ATOM 1313 CB VAL A 81 0.104 3.394 11.330 1.00 0.00 C ATOM 1314 CG1 VAL A 81 0.809 4.628 11.899 1.00 0.00 C ATOM 1315 CG2 VAL A 81 0.778 2.150 11.925 1.00 0.00 C ATOM 0 H VAL A 81 -1.298 4.571 13.161 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.733 3.932 10.472 1.00 0.00 H new ATOM 0 HB VAL A 81 0.238 3.372 10.249 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.888 4.505 11.807 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.496 5.513 11.346 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.545 4.745 12.950 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.860 2.239 11.825 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.517 2.064 12.980 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.436 1.262 11.394 1.00 0.00 H new ATOM 1325 N GLU A 82 -2.363 1.457 12.545 1.00 0.00 N ATOM 1326 CA GLU A 82 -3.095 0.192 12.697 1.00 0.00 C ATOM 1327 C GLU A 82 -4.523 0.259 12.121 1.00 0.00 C ATOM 1328 O GLU A 82 -4.988 -0.716 11.527 1.00 0.00 O ATOM 1329 CB GLU A 82 -3.107 -0.210 14.182 1.00 0.00 C ATOM 1330 CG GLU A 82 -3.684 -1.609 14.435 1.00 0.00 C ATOM 1331 CD GLU A 82 -3.637 -1.963 15.933 1.00 0.00 C ATOM 1332 OE1 GLU A 82 -2.525 -2.199 16.466 1.00 0.00 O ATOM 1333 OE2 GLU A 82 -4.706 -2.011 16.588 1.00 0.00 O ATOM 0 H GLU A 82 -2.091 1.870 13.437 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.577 -0.572 12.117 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.089 -0.171 14.569 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.689 0.521 14.743 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.714 -1.651 14.080 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.120 -2.347 13.865 1.00 0.00 H new ATOM 1340 N SER A 83 -5.216 1.402 12.232 1.00 0.00 N ATOM 1341 CA SER A 83 -6.541 1.587 11.631 1.00 0.00 C ATOM 1342 C SER A 83 -6.424 1.618 10.106 1.00 0.00 C ATOM 1343 O SER A 83 -7.160 0.927 9.399 1.00 0.00 O ATOM 1344 CB SER A 83 -7.186 2.869 12.176 1.00 0.00 C ATOM 1345 OG SER A 83 -8.451 3.095 11.579 1.00 0.00 O ATOM 0 H SER A 83 -4.874 2.219 12.738 1.00 0.00 H new ATOM 0 HA SER A 83 -7.184 0.749 11.898 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.299 2.792 13.257 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.532 3.719 11.984 1.00 0.00 H new ATOM 0 HG SER A 83 -8.843 3.916 11.943 1.00 0.00 H new ATOM 1351 N LYS A 84 -5.442 2.365 9.580 1.00 0.00 N ATOM 1352 CA LYS A 84 -5.199 2.474 8.131 1.00 0.00 C ATOM 1353 C LYS A 84 -4.776 1.131 7.522 1.00 0.00 C ATOM 1354 O LYS A 84 -5.216 0.788 6.428 1.00 0.00 O ATOM 1355 CB LYS A 84 -4.177 3.585 7.842 1.00 0.00 C ATOM 1356 CG LYS A 84 -4.495 4.979 8.415 1.00 0.00 C ATOM 1357 CD LYS A 84 -5.908 5.546 8.191 1.00 0.00 C ATOM 1358 CE LYS A 84 -6.985 5.029 9.156 1.00 0.00 C ATOM 1359 NZ LYS A 84 -8.331 5.560 8.830 1.00 0.00 N ATOM 0 H LYS A 84 -4.793 2.911 10.146 1.00 0.00 H new ATOM 0 HA LYS A 84 -6.137 2.748 7.649 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.210 3.268 8.232 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.070 3.677 6.761 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.314 4.948 9.489 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.781 5.685 7.992 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.863 6.632 8.272 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.217 5.315 7.171 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.008 3.940 9.122 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.722 5.311 10.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.943 5.493 9.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.250 6.555 8.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.745 5.005 8.054 1.00 0.00 H new ATOM 1373 N LYS A 85 -3.984 0.341 8.255 1.00 0.00 N ATOM 1374 CA LYS A 85 -3.585 -1.039 7.924 1.00 0.00 C ATOM 1375 C LYS A 85 -4.789 -1.981 7.869 1.00 0.00 C ATOM 1376 O LYS A 85 -4.913 -2.741 6.908 1.00 0.00 O ATOM 1377 CB LYS A 85 -2.533 -1.482 8.956 1.00 0.00 C ATOM 1378 CG LYS A 85 -1.931 -2.890 8.818 1.00 0.00 C ATOM 1379 CD LYS A 85 -1.038 -3.105 7.585 1.00 0.00 C ATOM 1380 CE LYS A 85 -1.846 -3.592 6.381 1.00 0.00 C ATOM 1381 NZ LYS A 85 -0.974 -3.981 5.245 1.00 0.00 N ATOM 0 H LYS A 85 -3.583 0.658 9.138 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.150 -1.077 6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.713 -0.764 8.925 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -2.985 -1.408 9.945 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.346 -3.106 9.712 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.745 -3.614 8.787 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.535 -2.172 7.332 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.261 -3.832 7.820 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.458 -4.444 6.676 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.529 -2.805 6.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.521 -4.548 4.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.617 -3.126 4.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.173 -4.542 5.599 1.00 0.00 H new ATOM 1395 N ALA A 86 -5.692 -1.901 8.850 1.00 0.00 N ATOM 1396 CA ALA A 86 -6.935 -2.666 8.863 1.00 0.00 C ATOM 1397 C ALA A 86 -7.811 -2.331 7.644 1.00 0.00 C ATOM 1398 O ALA A 86 -8.294 -3.242 6.978 1.00 0.00 O ATOM 1399 CB ALA A 86 -7.667 -2.430 10.190 1.00 0.00 C ATOM 0 H ALA A 86 -5.577 -1.297 9.664 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.703 -3.728 8.787 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.595 -3.001 10.200 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.034 -2.752 11.017 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.893 -1.369 10.297 1.00 0.00 H new ATOM 1405 N GLU A 87 -7.966 -1.048 7.298 1.00 0.00 N ATOM 1406 CA GLU A 87 -8.662 -0.622 6.074 1.00 0.00 C ATOM 1407 C GLU A 87 -7.984 -1.128 4.794 1.00 0.00 C ATOM 1408 O GLU A 87 -8.643 -1.758 3.968 1.00 0.00 O ATOM 1409 CB GLU A 87 -8.814 0.906 6.025 1.00 0.00 C ATOM 1410 CG GLU A 87 -9.827 1.378 7.068 1.00 0.00 C ATOM 1411 CD GLU A 87 -10.256 2.835 6.812 1.00 0.00 C ATOM 1412 OE1 GLU A 87 -9.445 3.764 7.053 1.00 0.00 O ATOM 1413 OE2 GLU A 87 -11.412 3.065 6.379 1.00 0.00 O ATOM 0 H GLU A 87 -7.612 -0.273 7.859 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.652 -1.077 6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.849 1.379 6.207 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.137 1.213 5.030 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.703 0.730 7.047 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.392 1.294 8.064 1.00 0.00 H new ATOM 1420 N ALA A 88 -6.676 -0.912 4.636 1.00 0.00 N ATOM 1421 CA ALA A 88 -5.909 -1.364 3.474 1.00 0.00 C ATOM 1422 C ALA A 88 -6.038 -2.873 3.227 1.00 0.00 C ATOM 1423 O ALA A 88 -6.190 -3.321 2.091 1.00 0.00 O ATOM 1424 CB ALA A 88 -4.442 -0.962 3.667 1.00 0.00 C ATOM 0 H ALA A 88 -6.112 -0.411 5.322 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.317 -0.881 2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.858 -1.293 2.808 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.371 0.122 3.759 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.053 -1.429 4.572 1.00 0.00 H new ATOM 1430 N THR A 89 -6.001 -3.669 4.295 1.00 0.00 N ATOM 1431 CA THR A 89 -6.127 -5.132 4.203 1.00 0.00 C ATOM 1432 C THR A 89 -7.589 -5.615 4.150 1.00 0.00 C ATOM 1433 O THR A 89 -7.873 -6.649 3.542 1.00 0.00 O ATOM 1434 CB THR A 89 -5.264 -5.767 5.294 1.00 0.00 C ATOM 1435 OG1 THR A 89 -3.939 -5.321 5.048 1.00 0.00 O ATOM 1436 CG2 THR A 89 -5.235 -7.293 5.268 1.00 0.00 C ATOM 0 H THR A 89 -5.883 -3.324 5.248 1.00 0.00 H new ATOM 0 HA THR A 89 -5.740 -5.476 3.244 1.00 0.00 H new ATOM 0 HB THR A 89 -5.679 -5.478 6.260 1.00 0.00 H new ATOM 0 HG1 THR A 89 -3.303 -6.001 5.354 1.00 0.00 H new ATOM 0 HG21 THR A 89 -4.600 -7.659 6.075 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.246 -7.678 5.399 1.00 0.00 H new ATOM 0 HG23 THR A 89 -4.838 -7.633 4.312 1.00 0.00 H new ATOM 1444 N ARG A 90 -8.560 -4.829 4.642 1.00 0.00 N ATOM 1445 CA ARG A 90 -9.989 -4.988 4.301 1.00 0.00 C ATOM 1446 C ARG A 90 -10.231 -4.798 2.800 1.00 0.00 C ATOM 1447 O ARG A 90 -11.008 -5.552 2.221 1.00 0.00 O ATOM 1448 CB ARG A 90 -10.861 -4.054 5.163 1.00 0.00 C ATOM 1449 CG ARG A 90 -12.376 -4.128 4.886 1.00 0.00 C ATOM 1450 CD ARG A 90 -12.999 -5.527 5.011 1.00 0.00 C ATOM 1451 NE ARG A 90 -12.852 -6.089 6.370 1.00 0.00 N ATOM 1452 CZ ARG A 90 -13.341 -7.237 6.803 1.00 0.00 C ATOM 1453 NH1 ARG A 90 -14.026 -8.035 6.033 1.00 0.00 N ATOM 1454 NH2 ARG A 90 -13.145 -7.614 8.034 1.00 0.00 N ATOM 0 H ARG A 90 -8.379 -4.062 5.290 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.286 -6.011 4.533 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.688 -4.289 6.213 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.529 -3.027 5.007 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.888 -3.457 5.576 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.563 -3.753 3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -14.057 -5.475 4.755 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.529 -6.197 4.291 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.320 -5.535 7.041 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.200 -7.781 5.061 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.388 -8.914 6.403 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.611 -7.022 8.670 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.525 -8.502 8.362 1.00 0.00 H new ATOM 1468 N LEU A 91 -9.539 -3.874 2.130 1.00 0.00 N ATOM 1469 CA LEU A 91 -9.596 -3.796 0.660 1.00 0.00 C ATOM 1470 C LEU A 91 -9.042 -5.048 -0.036 1.00 0.00 C ATOM 1471 O LEU A 91 -9.570 -5.466 -1.064 1.00 0.00 O ATOM 1472 CB LEU A 91 -8.831 -2.606 0.099 1.00 0.00 C ATOM 1473 CG LEU A 91 -9.111 -1.219 0.639 1.00 0.00 C ATOM 1474 CD1 LEU A 91 -8.413 -0.234 -0.257 1.00 0.00 C ATOM 1475 CD2 LEU A 91 -10.590 -0.875 0.646 1.00 0.00 C ATOM 0 H LEU A 91 -8.939 -3.176 2.570 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.661 -3.694 0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.769 -2.804 0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.009 -2.580 -0.976 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.758 -1.182 1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.594 0.778 0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.342 -0.434 -0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.796 -0.331 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.728 0.131 1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.979 -0.920 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.127 -1.589 1.271 1.00 0.00 H new ATOM 1487 N GLU A 92 -8.002 -5.680 0.514 1.00 0.00 N ATOM 1488 CA GLU A 92 -7.539 -6.994 0.032 1.00 0.00 C ATOM 1489 C GLU A 92 -8.683 -8.021 -0.002 1.00 0.00 C ATOM 1490 O GLU A 92 -8.737 -8.868 -0.900 1.00 0.00 O ATOM 1491 CB GLU A 92 -6.334 -7.500 0.846 1.00 0.00 C ATOM 1492 CG GLU A 92 -5.049 -7.500 0.014 1.00 0.00 C ATOM 1493 CD GLU A 92 -3.885 -8.156 0.782 1.00 0.00 C ATOM 1494 OE1 GLU A 92 -3.806 -9.409 0.815 1.00 0.00 O ATOM 1495 OE2 GLU A 92 -3.029 -7.428 1.341 1.00 0.00 O ATOM 0 H GLU A 92 -7.461 -5.307 1.294 1.00 0.00 H new ATOM 0 HA GLU A 92 -7.199 -6.864 -0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.198 -6.870 1.725 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.535 -8.509 1.205 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -5.218 -8.035 -0.921 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.783 -6.476 -0.248 1.00 0.00 H new ATOM 1502 N LYS A 93 -9.655 -7.889 0.911 1.00 0.00 N ATOM 1503 CA LYS A 93 -10.881 -8.692 0.879 1.00 0.00 C ATOM 1504 C LYS A 93 -11.796 -8.285 -0.279 1.00 0.00 C ATOM 1505 O LYS A 93 -12.268 -9.165 -0.990 1.00 0.00 O ATOM 1506 CB LYS A 93 -11.613 -8.660 2.231 1.00 0.00 C ATOM 1507 CG LYS A 93 -10.740 -8.915 3.475 1.00 0.00 C ATOM 1508 CD LYS A 93 -9.942 -10.229 3.416 1.00 0.00 C ATOM 1509 CE LYS A 93 -9.032 -10.415 4.640 1.00 0.00 C ATOM 1510 NZ LYS A 93 -9.794 -10.716 5.881 1.00 0.00 N ATOM 0 H LYS A 93 -9.613 -7.227 1.686 1.00 0.00 H new ATOM 0 HA LYS A 93 -10.587 -9.726 0.700 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -12.092 -7.687 2.340 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -12.408 -9.406 2.210 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -10.045 -8.084 3.596 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -11.378 -8.928 4.359 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -10.634 -11.069 3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -9.336 -10.243 2.510 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.329 -11.225 4.445 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.443 -9.510 4.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -9.132 -10.832 6.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -10.447 -9.933 6.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -10.336 -11.594 5.751 1.00 0.00 H new ATOM 1524 N ILE A 94 -12.023 -6.990 -0.527 1.00 0.00 N ATOM 1525 CA ILE A 94 -12.885 -6.522 -1.638 1.00 0.00 C ATOM 1526 C ILE A 94 -12.344 -6.829 -3.037 1.00 0.00 C ATOM 1527 O ILE A 94 -13.141 -7.217 -3.890 1.00 0.00 O ATOM 1528 CB ILE A 94 -13.414 -5.081 -1.477 1.00 0.00 C ATOM 1529 CG1 ILE A 94 -12.445 -4.037 -2.049 1.00 0.00 C ATOM 1530 CG2 ILE A 94 -13.826 -4.801 -0.019 1.00 0.00 C ATOM 1531 CD1 ILE A 94 -12.912 -2.594 -1.907 1.00 0.00 C ATOM 0 H ILE A 94 -11.621 -6.235 0.028 1.00 0.00 H new ATOM 0 HA ILE A 94 -13.773 -7.148 -1.548 1.00 0.00 H new ATOM 0 HB ILE A 94 -14.319 -4.989 -2.078 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -11.481 -4.144 -1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -12.284 -4.251 -3.106 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -14.195 -3.779 0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -14.612 -5.496 0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.963 -4.930 0.634 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -12.166 -1.926 -2.338 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -13.860 -2.465 -2.430 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -13.045 -2.357 -0.851 1.00 0.00 H new ATOM 1543 N LYS A 95 -11.028 -6.746 -3.296 1.00 0.00 N ATOM 1544 CA LYS A 95 -10.486 -7.207 -4.594 1.00 0.00 C ATOM 1545 C LYS A 95 -10.772 -8.692 -4.836 1.00 0.00 C ATOM 1546 O LYS A 95 -11.085 -9.103 -5.954 1.00 0.00 O ATOM 1547 CB LYS A 95 -8.997 -6.856 -4.791 1.00 0.00 C ATOM 1548 CG LYS A 95 -7.941 -7.753 -4.121 1.00 0.00 C ATOM 1549 CD LYS A 95 -6.577 -7.681 -4.831 1.00 0.00 C ATOM 1550 CE LYS A 95 -6.593 -8.560 -6.095 1.00 0.00 C ATOM 1551 NZ LYS A 95 -5.281 -8.596 -6.793 1.00 0.00 N ATOM 0 H LYS A 95 -10.334 -6.376 -2.647 1.00 0.00 H new ATOM 0 HA LYS A 95 -11.021 -6.648 -5.361 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.796 -6.849 -5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.845 -5.838 -4.432 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.822 -7.454 -3.079 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.293 -8.785 -4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.352 -6.649 -5.099 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.789 -8.015 -4.156 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.881 -9.575 -5.822 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.353 -8.187 -6.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.155 -9.523 -7.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.252 -7.849 -7.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.517 -8.441 -6.104 1.00 0.00 H new ATOM 1565 N THR A 96 -10.692 -9.479 -3.763 1.00 0.00 N ATOM 1566 CA THR A 96 -10.942 -10.930 -3.794 1.00 0.00 C ATOM 1567 C THR A 96 -12.429 -11.207 -3.987 1.00 0.00 C ATOM 1568 O THR A 96 -12.810 -11.969 -4.870 1.00 0.00 O ATOM 1569 CB THR A 96 -10.434 -11.623 -2.517 1.00 0.00 C ATOM 1570 OG1 THR A 96 -9.076 -11.307 -2.312 1.00 0.00 O ATOM 1571 CG2 THR A 96 -10.521 -13.148 -2.608 1.00 0.00 C ATOM 0 H THR A 96 -10.450 -9.129 -2.836 1.00 0.00 H new ATOM 0 HA THR A 96 -10.388 -11.342 -4.638 1.00 0.00 H new ATOM 0 HB THR A 96 -11.066 -11.270 -1.702 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.008 -10.468 -1.810 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.151 -13.589 -1.683 1.00 0.00 H new ATOM 0 HG22 THR A 96 -11.558 -13.445 -2.762 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.916 -13.498 -3.444 1.00 0.00 H new ATOM 1579 N ASP A 97 -13.279 -10.551 -3.198 1.00 0.00 N ATOM 1580 CA ASP A 97 -14.735 -10.727 -3.201 1.00 0.00 C ATOM 1581 C ASP A 97 -15.362 -10.323 -4.542 1.00 0.00 C ATOM 1582 O ASP A 97 -16.207 -11.049 -5.071 1.00 0.00 O ATOM 1583 CB ASP A 97 -15.351 -9.930 -2.045 1.00 0.00 C ATOM 1584 CG ASP A 97 -16.866 -10.174 -1.936 1.00 0.00 C ATOM 1585 OD1 ASP A 97 -17.269 -11.301 -1.563 1.00 0.00 O ATOM 1586 OD2 ASP A 97 -17.652 -9.236 -2.208 1.00 0.00 O ATOM 0 H ASP A 97 -12.966 -9.860 -2.517 1.00 0.00 H new ATOM 0 HA ASP A 97 -14.949 -11.787 -3.063 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -14.868 -10.212 -1.109 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -15.162 -8.867 -2.194 1.00 0.00 H new ATOM 1591 N ARG A 98 -14.911 -9.204 -5.130 1.00 0.00 N ATOM 1592 CA ARG A 98 -15.385 -8.747 -6.452 1.00 0.00 C ATOM 1593 C ARG A 98 -15.113 -9.764 -7.567 1.00 0.00 C ATOM 1594 O ARG A 98 -15.967 -9.943 -8.437 1.00 0.00 O ATOM 1595 CB ARG A 98 -14.805 -7.365 -6.788 1.00 0.00 C ATOM 1596 CG ARG A 98 -15.492 -6.263 -5.960 1.00 0.00 C ATOM 1597 CD ARG A 98 -14.876 -4.884 -6.218 1.00 0.00 C ATOM 1598 NE ARG A 98 -15.109 -4.421 -7.603 1.00 0.00 N ATOM 1599 CZ ARG A 98 -16.156 -3.755 -8.063 1.00 0.00 C ATOM 1600 NH1 ARG A 98 -17.160 -3.421 -7.302 1.00 0.00 N ATOM 1601 NH2 ARG A 98 -16.214 -3.410 -9.316 1.00 0.00 N ATOM 0 H ARG A 98 -14.212 -8.592 -4.709 1.00 0.00 H new ATOM 0 HA ARG A 98 -16.469 -8.657 -6.389 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -13.733 -7.359 -6.591 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -14.935 -7.161 -7.851 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -16.554 -6.237 -6.202 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -15.412 -6.503 -4.900 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -15.299 -4.162 -5.519 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.804 -4.924 -6.025 1.00 0.00 H new ATOM 0 HE ARG A 98 -14.379 -4.640 -8.281 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -17.157 -3.673 -6.314 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -17.949 -2.907 -7.695 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -15.451 -3.653 -9.948 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -17.023 -2.897 -9.667 1.00 0.00 H new ATOM 1615 N LYS A 99 -13.971 -10.466 -7.530 1.00 0.00 N ATOM 1616 CA LYS A 99 -13.690 -11.615 -8.414 1.00 0.00 C ATOM 1617 C LYS A 99 -14.521 -12.854 -8.041 1.00 0.00 C ATOM 1618 O LYS A 99 -15.174 -13.442 -8.903 1.00 0.00 O ATOM 1619 CB LYS A 99 -12.178 -11.901 -8.424 1.00 0.00 C ATOM 1620 CG LYS A 99 -11.823 -12.942 -9.496 1.00 0.00 C ATOM 1621 CD LYS A 99 -10.308 -13.132 -9.633 1.00 0.00 C ATOM 1622 CE LYS A 99 -10.044 -14.201 -10.700 1.00 0.00 C ATOM 1623 NZ LYS A 99 -8.595 -14.467 -10.885 1.00 0.00 N ATOM 0 H LYS A 99 -13.210 -10.254 -6.884 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.996 -11.356 -9.428 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.631 -10.978 -8.613 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.866 -12.262 -7.444 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.286 -13.896 -9.243 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.237 -12.631 -10.455 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.833 -12.192 -9.913 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.877 -13.435 -8.679 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.548 -15.125 -10.417 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.476 -13.880 -11.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.466 -15.196 -11.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.116 -13.592 -11.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.186 -14.799 -9.989 1.00 0.00 H new ATOM 1637 N LYS A 100 -14.532 -13.234 -6.756 1.00 0.00 N ATOM 1638 CA LYS A 100 -15.239 -14.407 -6.192 1.00 0.00 C ATOM 1639 C LYS A 100 -16.755 -14.407 -6.441 1.00 0.00 C ATOM 1640 O LYS A 100 -17.372 -15.474 -6.417 1.00 0.00 O ATOM 1641 CB LYS A 100 -14.919 -14.496 -4.686 1.00 0.00 C ATOM 1642 CG LYS A 100 -15.271 -15.853 -4.046 1.00 0.00 C ATOM 1643 CD LYS A 100 -16.086 -15.733 -2.746 1.00 0.00 C ATOM 1644 CE LYS A 100 -17.492 -15.130 -2.919 1.00 0.00 C ATOM 1645 NZ LYS A 100 -18.393 -15.994 -3.731 1.00 0.00 N ATOM 0 H LYS A 100 -14.026 -12.711 -6.042 1.00 0.00 H new ATOM 0 HA LYS A 100 -14.875 -15.292 -6.715 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -13.856 -14.302 -4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -15.462 -13.708 -4.163 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -15.835 -16.448 -4.764 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -14.349 -16.396 -3.837 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -16.183 -16.724 -2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -15.527 -15.120 -2.039 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -17.937 -14.970 -1.937 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -17.408 -14.153 -3.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -19.379 -15.692 -3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -18.141 -15.910 -4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -18.289 -16.984 -3.429 1.00 0.00 H new ATOM 1812 N GLU A 111 -1.362 -19.660 -16.110 1.00 0.00 N ATOM 1813 CA GLU A 111 -0.421 -18.552 -16.303 1.00 0.00 C ATOM 1814 C GLU A 111 0.658 -18.512 -15.224 1.00 0.00 C ATOM 1815 O GLU A 111 1.787 -18.144 -15.519 1.00 0.00 O ATOM 1816 CB GLU A 111 -1.165 -17.216 -16.370 1.00 0.00 C ATOM 1817 CG GLU A 111 -1.971 -17.141 -17.667 1.00 0.00 C ATOM 1818 CD GLU A 111 -2.686 -15.783 -17.813 1.00 0.00 C ATOM 1819 OE1 GLU A 111 -3.819 -15.620 -17.300 1.00 0.00 O ATOM 1820 OE2 GLU A 111 -2.118 -14.865 -18.455 1.00 0.00 O ATOM 0 HA GLU A 111 0.083 -18.724 -17.254 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -1.829 -17.115 -15.511 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -0.455 -16.390 -16.323 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.308 -17.297 -18.518 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -2.707 -17.944 -17.685 1.00 0.00 H new ATOM 1827 N GLU A 112 0.350 -18.962 -14.006 1.00 0.00 N ATOM 1828 CA GLU A 112 1.351 -19.245 -12.975 1.00 0.00 C ATOM 1829 C GLU A 112 2.451 -20.181 -13.499 1.00 0.00 C ATOM 1830 O GLU A 112 3.632 -19.836 -13.492 1.00 0.00 O ATOM 1831 CB GLU A 112 0.634 -19.826 -11.746 1.00 0.00 C ATOM 1832 CG GLU A 112 1.613 -20.367 -10.700 1.00 0.00 C ATOM 1833 CD GLU A 112 0.903 -20.631 -9.359 1.00 0.00 C ATOM 1834 OE1 GLU A 112 -0.057 -21.441 -9.335 1.00 0.00 O ATOM 1835 OE2 GLU A 112 1.301 -20.041 -8.326 1.00 0.00 O ATOM 0 H GLU A 112 -0.608 -19.142 -13.705 1.00 0.00 H new ATOM 0 HA GLU A 112 1.856 -18.322 -12.690 1.00 0.00 H new ATOM 0 HB2 GLU A 112 0.012 -19.054 -11.293 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -0.034 -20.627 -12.063 1.00 0.00 H new ATOM 0 HG2 GLU A 112 2.065 -21.290 -11.064 1.00 0.00 H new ATOM 0 HG3 GLU A 112 2.423 -19.653 -10.552 1.00 0.00 H new ATOM 1842 N ASP A 113 2.057 -21.354 -13.993 1.00 0.00 N ATOM 1843 CA ASP A 113 2.965 -22.374 -14.525 1.00 0.00 C ATOM 1844 C ASP A 113 3.783 -21.852 -15.716 1.00 0.00 C ATOM 1845 O ASP A 113 5.006 -22.009 -15.768 1.00 0.00 O ATOM 1846 CB ASP A 113 2.142 -23.610 -14.916 1.00 0.00 C ATOM 1847 CG ASP A 113 3.044 -24.823 -15.195 1.00 0.00 C ATOM 1848 OD1 ASP A 113 3.578 -25.414 -14.226 1.00 0.00 O ATOM 1849 OD2 ASP A 113 3.206 -25.200 -16.380 1.00 0.00 O ATOM 0 H ASP A 113 1.076 -21.630 -14.036 1.00 0.00 H new ATOM 0 HA ASP A 113 3.686 -22.641 -13.753 1.00 0.00 H new ATOM 0 HB2 ASP A 113 1.443 -23.851 -14.115 1.00 0.00 H new ATOM 0 HB3 ASP A 113 1.547 -23.387 -15.801 1.00 0.00 H new ATOM 1854 N LYS A 114 3.104 -21.185 -16.656 1.00 0.00 N ATOM 1855 CA LYS A 114 3.683 -20.626 -17.880 1.00 0.00 C ATOM 1856 C LYS A 114 4.670 -19.494 -17.603 1.00 0.00 C ATOM 1857 O LYS A 114 5.791 -19.544 -18.105 1.00 0.00 O ATOM 1858 CB LYS A 114 2.552 -20.206 -18.830 1.00 0.00 C ATOM 1859 CG LYS A 114 1.866 -21.452 -19.417 1.00 0.00 C ATOM 1860 CD LYS A 114 0.720 -21.132 -20.389 1.00 0.00 C ATOM 1861 CE LYS A 114 -0.510 -20.636 -19.621 1.00 0.00 C ATOM 1862 NZ LYS A 114 -1.704 -20.493 -20.490 1.00 0.00 N ATOM 0 H LYS A 114 2.101 -21.014 -16.582 1.00 0.00 H new ATOM 0 HA LYS A 114 4.276 -21.400 -18.367 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.823 -19.598 -18.294 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.952 -19.589 -19.634 1.00 0.00 H new ATOM 0 HG2 LYS A 114 2.612 -22.055 -19.936 1.00 0.00 H new ATOM 0 HG3 LYS A 114 1.477 -22.060 -18.600 1.00 0.00 H new ATOM 0 HD2 LYS A 114 1.041 -20.373 -21.103 1.00 0.00 H new ATOM 0 HD3 LYS A 114 0.463 -22.022 -20.964 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -0.734 -21.332 -18.813 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -0.283 -19.675 -19.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -2.508 -20.155 -19.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -1.503 -19.809 -21.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -1.940 -21.415 -20.910 1.00 0.00 H new ATOM 1876 N VAL A 115 4.298 -18.516 -16.777 1.00 0.00 N ATOM 1877 CA VAL A 115 5.205 -17.430 -16.341 1.00 0.00 C ATOM 1878 C VAL A 115 6.450 -17.965 -15.622 1.00 0.00 C ATOM 1879 O VAL A 115 7.564 -17.550 -15.940 1.00 0.00 O ATOM 1880 CB VAL A 115 4.465 -16.370 -15.497 1.00 0.00 C ATOM 1881 CG1 VAL A 115 5.406 -15.353 -14.838 1.00 0.00 C ATOM 1882 CG2 VAL A 115 3.500 -15.568 -16.385 1.00 0.00 C ATOM 0 H VAL A 115 3.359 -18.446 -16.385 1.00 0.00 H new ATOM 0 HA VAL A 115 5.557 -16.934 -17.245 1.00 0.00 H new ATOM 0 HB VAL A 115 3.944 -16.928 -14.719 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.821 -14.637 -14.260 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.099 -15.874 -14.177 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.968 -14.825 -15.608 1.00 0.00 H new ATOM 0 HG21 VAL A 115 2.983 -14.823 -15.780 1.00 0.00 H new ATOM 0 HG22 VAL A 115 4.062 -15.068 -17.174 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.770 -16.243 -16.831 1.00 0.00 H new ATOM 1892 N LYS A 116 6.294 -18.907 -14.684 1.00 0.00 N ATOM 1893 CA LYS A 116 7.410 -19.549 -13.971 1.00 0.00 C ATOM 1894 C LYS A 116 8.361 -20.328 -14.892 1.00 0.00 C ATOM 1895 O LYS A 116 9.575 -20.281 -14.689 1.00 0.00 O ATOM 1896 CB LYS A 116 6.851 -20.447 -12.858 1.00 0.00 C ATOM 1897 CG LYS A 116 6.276 -19.603 -11.706 1.00 0.00 C ATOM 1898 CD LYS A 116 5.635 -20.449 -10.595 1.00 0.00 C ATOM 1899 CE LYS A 116 6.664 -21.320 -9.862 1.00 0.00 C ATOM 1900 NZ LYS A 116 6.043 -22.077 -8.743 1.00 0.00 N ATOM 0 H LYS A 116 5.379 -19.251 -14.394 1.00 0.00 H new ATOM 0 HA LYS A 116 8.019 -18.756 -13.537 1.00 0.00 H new ATOM 0 HB2 LYS A 116 6.073 -21.094 -13.264 1.00 0.00 H new ATOM 0 HB3 LYS A 116 7.640 -21.097 -12.479 1.00 0.00 H new ATOM 0 HG2 LYS A 116 7.073 -18.996 -11.277 1.00 0.00 H new ATOM 0 HG3 LYS A 116 5.531 -18.915 -12.105 1.00 0.00 H new ATOM 0 HD2 LYS A 116 5.142 -19.792 -9.879 1.00 0.00 H new ATOM 0 HD3 LYS A 116 4.863 -21.087 -11.026 1.00 0.00 H new ATOM 0 HE2 LYS A 116 7.118 -22.017 -10.566 1.00 0.00 H new ATOM 0 HE3 LYS A 116 7.465 -20.690 -9.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 6.767 -22.655 -8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 5.631 -21.410 -8.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 5.295 -22.696 -9.116 1.00 0.00 H new ATOM 1914 N GLU A 117 7.839 -21.029 -15.900 1.00 0.00 N ATOM 1915 CA GLU A 117 8.641 -21.761 -16.893 1.00 0.00 C ATOM 1916 C GLU A 117 9.345 -20.807 -17.879 1.00 0.00 C ATOM 1917 O GLU A 117 10.526 -20.987 -18.192 1.00 0.00 O ATOM 1918 CB GLU A 117 7.728 -22.751 -17.640 1.00 0.00 C ATOM 1919 CG GLU A 117 8.472 -23.747 -18.543 1.00 0.00 C ATOM 1920 CD GLU A 117 9.266 -24.789 -17.729 1.00 0.00 C ATOM 1921 OE1 GLU A 117 8.699 -25.854 -17.379 1.00 0.00 O ATOM 1922 OE2 GLU A 117 10.467 -24.563 -17.442 1.00 0.00 O ATOM 0 H GLU A 117 6.834 -21.108 -16.055 1.00 0.00 H new ATOM 0 HA GLU A 117 9.428 -22.308 -16.374 1.00 0.00 H new ATOM 0 HB2 GLU A 117 7.144 -23.309 -16.909 1.00 0.00 H new ATOM 0 HB3 GLU A 117 7.022 -22.186 -18.248 1.00 0.00 H new ATOM 0 HG2 GLU A 117 7.755 -24.259 -19.185 1.00 0.00 H new ATOM 0 HG3 GLU A 117 9.153 -23.203 -19.197 1.00 0.00 H new ATOM 1929 N LYS A 118 8.621 -19.785 -18.358 1.00 0.00 N ATOM 1930 CA LYS A 118 9.059 -18.808 -19.373 1.00 0.00 C ATOM 1931 C LYS A 118 8.773 -17.354 -18.928 1.00 0.00 C ATOM 1932 O LYS A 118 7.737 -16.797 -19.314 1.00 0.00 O ATOM 1933 CB LYS A 118 8.410 -19.134 -20.735 1.00 0.00 C ATOM 1934 CG LYS A 118 8.854 -20.492 -21.308 1.00 0.00 C ATOM 1935 CD LYS A 118 8.225 -20.807 -22.674 1.00 0.00 C ATOM 1936 CE LYS A 118 8.706 -19.852 -23.775 1.00 0.00 C ATOM 1937 NZ LYS A 118 8.140 -20.218 -25.100 1.00 0.00 N ATOM 0 H LYS A 118 7.670 -19.606 -18.035 1.00 0.00 H new ATOM 0 HA LYS A 118 10.140 -18.887 -19.485 1.00 0.00 H new ATOM 0 HB2 LYS A 118 7.326 -19.131 -20.624 1.00 0.00 H new ATOM 0 HB3 LYS A 118 8.660 -18.347 -21.447 1.00 0.00 H new ATOM 0 HG2 LYS A 118 9.940 -20.501 -21.404 1.00 0.00 H new ATOM 0 HG3 LYS A 118 8.590 -21.280 -20.603 1.00 0.00 H new ATOM 0 HD2 LYS A 118 8.467 -21.832 -22.955 1.00 0.00 H new ATOM 0 HD3 LYS A 118 7.140 -20.747 -22.594 1.00 0.00 H new ATOM 0 HE2 LYS A 118 8.417 -18.831 -23.524 1.00 0.00 H new ATOM 0 HE3 LYS A 118 9.795 -19.872 -23.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 8.485 -19.553 -25.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 8.436 -21.183 -25.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 7.102 -20.175 -25.058 1.00 0.00 H new