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 73 LYS NZ :NH3+ 162:sc= 0.601 (180deg=0) USER MOD Set 1.2: A 76 GLN : amide:sc= 0.555 K(o=1.2,f=-2) USER MOD Set 2.1: A 22 LYS NZ :NH3+ -153:sc= 1.7 (180deg=1.09) USER MOD Set 2.2: A 26 GLN : amide:sc= 1.06 K(o=2.8,f=-4.3!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -179:sc= 1.27 (180deg=1.05) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -155:sc= 1.23 (180deg=1.18) USER MOD Single : A 20 LYS NZ :NH3+ -154:sc= 2.43 (180deg=0.696) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.18) USER MOD Single : A 33 ASN : amide:sc= -0.488 K(o=-0.49,f=-5!) USER MOD Single : A 34 TYR OH : rot 73:sc= 0.823 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.794 USER MOD Single : A 37 ASN : amide:sc= 0.551 K(o=0.55,f=-0.11) 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+ -176:sc= 1.29 (180deg=1.22) USER MOD Single : A 41 THR OG1 : rot -74:sc= 1.26 USER MOD Single : A 49 SER OG : rot 82:sc= 0.99 USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= 1.26 (180deg=0.734) USER MOD Single : A 55 LYS NZ :NH3+ -153:sc= 1.09 (180deg=0.601) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 160:sc= 1.19 (180deg=0.906) USER MOD Single : A 70 ASN : amide:sc= 0.628 K(o=0.63,f=-0.075) USER MOD Single : A 75 LYS NZ :NH3+ 129:sc= 0.0904 (180deg=-0.00814) USER MOD Single : A 78 LYS NZ :NH3+ -143:sc= 1.23 (180deg=0.731) USER MOD Single : A 83 SER OG : rot 74:sc= 0.00781 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 81:sc= 0.148 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 151:sc= 1.22 (180deg=1.05) USER MOD Single : A 96 THR OG1 : rot -76:sc= 0.743 USER MOD Single : A 99 LYS NZ :NH3+ 160:sc= 1.26 (180deg=1.17) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 173:sc= 2.37 (180deg=2.31) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N PRO A 5 14.892 13.946 13.583 1.00 0.00 N ATOM 56 CA PRO A 5 13.564 13.467 13.200 1.00 0.00 C ATOM 57 C PRO A 5 13.042 14.170 11.946 1.00 0.00 C ATOM 58 O PRO A 5 12.355 13.556 11.140 1.00 0.00 O ATOM 59 CB PRO A 5 12.673 13.745 14.408 1.00 0.00 C ATOM 60 CG PRO A 5 13.288 15.003 15.007 1.00 0.00 C ATOM 61 CD PRO A 5 14.775 14.734 14.814 1.00 0.00 C ATOM 0 HA PRO A 5 13.583 12.407 12.945 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.635 13.903 14.116 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.682 12.916 15.115 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.963 15.905 14.489 1.00 0.00 H new ATOM 0 HG3 PRO A 5 13.026 15.127 16.058 1.00 0.00 H new ATOM 0 HD2 PRO A 5 15.332 15.667 14.733 1.00 0.00 H new ATOM 0 HD3 PRO A 5 15.186 14.190 15.665 1.00 0.00 H new ATOM 69 N GLU A 6 13.406 15.443 11.752 1.00 0.00 N ATOM 70 CA GLU A 6 13.014 16.254 10.595 1.00 0.00 C ATOM 71 C GLU A 6 13.753 15.742 9.360 1.00 0.00 C ATOM 72 O GLU A 6 13.177 15.525 8.294 1.00 0.00 O ATOM 73 CB GLU A 6 13.325 17.725 10.854 1.00 0.00 C ATOM 74 CG GLU A 6 12.504 18.306 12.014 1.00 0.00 C ATOM 75 CD GLU A 6 10.982 18.365 11.771 1.00 0.00 C ATOM 76 OE1 GLU A 6 10.537 18.612 10.626 1.00 0.00 O ATOM 77 OE2 GLU A 6 10.228 18.193 12.759 1.00 0.00 O ATOM 0 H GLU A 6 13.996 15.950 12.412 1.00 0.00 H new ATOM 0 HA GLU A 6 11.941 16.169 10.426 1.00 0.00 H new ATOM 0 HB2 GLU A 6 14.387 17.835 11.074 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.126 18.299 9.949 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.691 17.709 12.906 1.00 0.00 H new ATOM 0 HG3 GLU A 6 12.862 19.314 12.224 1.00 0.00 H new ATOM 84 N LYS A 7 15.044 15.460 9.561 1.00 0.00 N ATOM 85 CA LYS A 7 15.920 14.795 8.599 1.00 0.00 C ATOM 86 C LYS A 7 15.378 13.435 8.165 1.00 0.00 C ATOM 87 O LYS A 7 15.245 13.179 6.966 1.00 0.00 O ATOM 88 CB LYS A 7 17.318 14.742 9.229 1.00 0.00 C ATOM 89 CG LYS A 7 18.113 15.899 8.699 1.00 0.00 C ATOM 90 CD LYS A 7 17.493 17.259 9.016 1.00 0.00 C ATOM 91 CE LYS A 7 18.357 18.150 8.175 1.00 0.00 C ATOM 92 NZ LYS A 7 18.056 19.598 8.306 1.00 0.00 N ATOM 0 H LYS A 7 15.522 15.698 10.430 1.00 0.00 H new ATOM 0 HA LYS A 7 15.972 15.354 7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 7 17.248 14.794 10.315 1.00 0.00 H new ATOM 0 HB3 LYS A 7 17.809 13.800 8.986 1.00 0.00 H new ATOM 0 HG2 LYS A 7 19.119 15.861 9.117 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.213 15.797 7.618 1.00 0.00 H new ATOM 0 HD2 LYS A 7 16.442 17.312 8.733 1.00 0.00 H new ATOM 0 HD3 LYS A 7 17.551 17.505 10.076 1.00 0.00 H new ATOM 0 HE2 LYS A 7 19.400 17.983 8.443 1.00 0.00 H new ATOM 0 HE3 LYS A 7 18.246 17.861 7.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.696 20.142 7.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.071 19.775 8.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 18.189 19.892 9.295 1.00 0.00 H new ATOM 106 N LYS A 8 14.994 12.598 9.132 1.00 0.00 N ATOM 107 CA LYS A 8 14.403 11.278 8.903 1.00 0.00 C ATOM 108 C LYS A 8 13.073 11.332 8.162 1.00 0.00 C ATOM 109 O LYS A 8 12.907 10.545 7.235 1.00 0.00 O ATOM 110 CB LYS A 8 14.261 10.512 10.229 1.00 0.00 C ATOM 111 CG LYS A 8 15.559 9.847 10.727 1.00 0.00 C ATOM 112 CD LYS A 8 16.261 8.922 9.717 1.00 0.00 C ATOM 113 CE LYS A 8 15.291 7.970 9.000 1.00 0.00 C ATOM 114 NZ LYS A 8 16.013 7.067 8.069 1.00 0.00 N ATOM 0 H LYS A 8 15.088 12.826 10.122 1.00 0.00 H new ATOM 0 HA LYS A 8 15.091 10.740 8.251 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.904 11.200 10.995 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.497 9.744 10.110 1.00 0.00 H new ATOM 0 HG2 LYS A 8 16.257 10.630 11.022 1.00 0.00 H new ATOM 0 HG3 LYS A 8 15.330 9.270 11.623 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.780 9.530 8.975 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.020 8.336 10.236 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.748 7.378 9.737 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.551 8.549 8.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.331 6.448 7.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.525 7.634 7.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.690 6.486 8.604 1.00 0.00 H new ATOM 128 N VAL A 9 12.138 12.225 8.509 1.00 0.00 N ATOM 129 CA VAL A 9 10.852 12.287 7.795 1.00 0.00 C ATOM 130 C VAL A 9 10.985 12.788 6.365 1.00 0.00 C ATOM 131 O VAL A 9 10.286 12.308 5.483 1.00 0.00 O ATOM 132 CB VAL A 9 9.797 13.144 8.489 1.00 0.00 C ATOM 133 CG1 VAL A 9 9.351 12.458 9.769 1.00 0.00 C ATOM 134 CG2 VAL A 9 10.146 14.602 8.771 1.00 0.00 C ATOM 0 H VAL A 9 12.241 12.903 9.264 1.00 0.00 H new ATOM 0 HA VAL A 9 10.522 11.248 7.796 1.00 0.00 H new ATOM 0 HB VAL A 9 8.994 13.217 7.755 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.597 13.069 10.266 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.927 11.482 9.530 1.00 0.00 H new ATOM 0 HG13 VAL A 9 10.208 12.330 10.431 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.305 15.088 9.266 1.00 0.00 H new ATOM 0 HG22 VAL A 9 11.023 14.648 9.416 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.359 15.113 7.832 1.00 0.00 H new ATOM 144 N ALA A 10 11.875 13.749 6.138 1.00 0.00 N ATOM 145 CA ALA A 10 12.116 14.356 4.828 1.00 0.00 C ATOM 146 C ALA A 10 12.687 13.306 3.867 1.00 0.00 C ATOM 147 O ALA A 10 12.182 13.105 2.761 1.00 0.00 O ATOM 148 CB ALA A 10 13.054 15.558 4.996 1.00 0.00 C ATOM 0 H ALA A 10 12.463 14.138 6.875 1.00 0.00 H new ATOM 0 HA ALA A 10 11.182 14.716 4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.238 16.015 4.024 1.00 0.00 H new ATOM 0 HB2 ALA A 10 12.593 16.290 5.659 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.999 15.225 5.425 1.00 0.00 H new ATOM 154 N GLU A 11 13.695 12.568 4.333 1.00 0.00 N ATOM 155 CA GLU A 11 14.188 11.368 3.658 1.00 0.00 C ATOM 156 C GLU A 11 13.101 10.296 3.458 1.00 0.00 C ATOM 157 O GLU A 11 12.873 9.850 2.334 1.00 0.00 O ATOM 158 CB GLU A 11 15.428 10.860 4.420 1.00 0.00 C ATOM 159 CG GLU A 11 15.719 9.375 4.215 1.00 0.00 C ATOM 160 CD GLU A 11 17.083 8.979 4.804 1.00 0.00 C ATOM 161 OE1 GLU A 11 18.114 9.137 4.106 1.00 0.00 O ATOM 162 OE2 GLU A 11 17.122 8.488 5.959 1.00 0.00 O ATOM 0 H GLU A 11 14.195 12.788 5.194 1.00 0.00 H new ATOM 0 HA GLU A 11 14.482 11.621 2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.297 11.437 4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.290 11.049 5.485 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.934 8.782 4.683 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.701 9.144 3.150 1.00 0.00 H new ATOM 169 N ALA A 12 12.392 9.891 4.510 1.00 0.00 N ATOM 170 CA ALA A 12 11.369 8.852 4.410 1.00 0.00 C ATOM 171 C ALA A 12 10.155 9.240 3.551 1.00 0.00 C ATOM 172 O ALA A 12 9.393 8.381 3.116 1.00 0.00 O ATOM 173 CB ALA A 12 10.982 8.403 5.819 1.00 0.00 C ATOM 0 H ALA A 12 12.509 10.271 5.449 1.00 0.00 H new ATOM 0 HA ALA A 12 11.800 8.010 3.868 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.219 7.627 5.757 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.860 8.008 6.329 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.590 9.253 6.377 1.00 0.00 H new ATOM 179 N GLU A 13 9.990 10.521 3.243 1.00 0.00 N ATOM 180 CA GLU A 13 8.853 11.035 2.478 1.00 0.00 C ATOM 181 C GLU A 13 9.114 10.852 0.987 1.00 0.00 C ATOM 182 O GLU A 13 8.239 10.444 0.233 1.00 0.00 O ATOM 183 CB GLU A 13 8.618 12.501 2.853 1.00 0.00 C ATOM 184 CG GLU A 13 7.604 13.165 1.922 1.00 0.00 C ATOM 185 CD GLU A 13 6.946 14.381 2.596 1.00 0.00 C ATOM 186 OE1 GLU A 13 5.909 14.187 3.278 1.00 0.00 O ATOM 187 OE2 GLU A 13 7.446 15.522 2.443 1.00 0.00 O ATOM 0 H GLU A 13 10.652 11.246 3.521 1.00 0.00 H new ATOM 0 HA GLU A 13 7.946 10.480 2.718 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.262 12.561 3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.562 13.044 2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.100 13.479 1.004 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.838 12.443 1.640 1.00 0.00 H new ATOM 194 N LYS A 14 10.370 11.053 0.599 1.00 0.00 N ATOM 195 CA LYS A 14 10.936 10.819 -0.733 1.00 0.00 C ATOM 196 C LYS A 14 10.638 9.397 -1.205 1.00 0.00 C ATOM 197 O LYS A 14 10.215 9.159 -2.337 1.00 0.00 O ATOM 198 CB LYS A 14 12.436 11.167 -0.632 1.00 0.00 C ATOM 199 CG LYS A 14 13.458 10.024 -0.737 1.00 0.00 C ATOM 200 CD LYS A 14 14.835 10.517 -0.291 1.00 0.00 C ATOM 201 CE LYS A 14 15.821 9.347 -0.279 1.00 0.00 C ATOM 202 NZ LYS A 14 17.198 9.781 0.078 1.00 0.00 N ATOM 0 H LYS A 14 11.071 11.408 1.250 1.00 0.00 H new ATOM 0 HA LYS A 14 10.485 11.449 -1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.663 11.889 -1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.597 11.670 0.321 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.144 9.185 -0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.507 9.661 -1.764 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.189 11.297 -0.965 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.769 10.960 0.703 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.482 8.595 0.433 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.833 8.874 -1.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.833 8.958 0.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.533 10.480 -0.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.192 10.210 1.026 1.00 0.00 H new ATOM 216 N LYS A 15 10.791 8.462 -0.269 1.00 0.00 N ATOM 217 CA LYS A 15 10.393 7.062 -0.384 1.00 0.00 C ATOM 218 C LYS A 15 8.875 6.880 -0.445 1.00 0.00 C ATOM 219 O LYS A 15 8.370 6.241 -1.363 1.00 0.00 O ATOM 220 CB LYS A 15 11.018 6.331 0.807 1.00 0.00 C ATOM 221 CG LYS A 15 10.427 4.945 1.046 1.00 0.00 C ATOM 222 CD LYS A 15 10.469 4.012 -0.176 1.00 0.00 C ATOM 223 CE LYS A 15 11.906 3.776 -0.647 1.00 0.00 C ATOM 224 NZ LYS A 15 11.981 2.765 -1.733 1.00 0.00 N ATOM 0 H LYS A 15 11.217 8.671 0.634 1.00 0.00 H new ATOM 0 HA LYS A 15 10.751 6.645 -1.325 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.091 6.237 0.643 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.884 6.934 1.705 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.965 4.471 1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.391 5.056 1.366 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.005 3.058 0.076 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.885 4.446 -0.988 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.331 4.716 -0.998 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.514 3.447 0.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.924 2.327 -1.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.259 2.033 -1.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.812 3.227 -2.649 1.00 0.00 H new ATOM 238 N VAL A 16 8.130 7.441 0.504 1.00 0.00 N ATOM 239 CA VAL A 16 6.657 7.290 0.566 1.00 0.00 C ATOM 240 C VAL A 16 5.964 7.910 -0.666 1.00 0.00 C ATOM 241 O VAL A 16 4.816 7.602 -0.975 1.00 0.00 O ATOM 242 CB VAL A 16 6.126 7.778 1.928 1.00 0.00 C ATOM 243 CG1 VAL A 16 4.605 7.913 2.022 1.00 0.00 C ATOM 244 CG2 VAL A 16 6.525 6.740 2.991 1.00 0.00 C ATOM 0 H VAL A 16 8.517 8.013 1.254 1.00 0.00 H new ATOM 0 HA VAL A 16 6.399 6.233 0.510 1.00 0.00 H new ATOM 0 HB VAL A 16 6.555 8.770 2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.332 8.262 3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.257 8.629 1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.142 6.944 1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.161 7.061 3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.086 5.774 2.739 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.611 6.648 3.021 1.00 0.00 H new ATOM 254 N GLU A 17 6.698 8.702 -1.446 1.00 0.00 N ATOM 255 CA GLU A 17 6.259 9.290 -2.716 1.00 0.00 C ATOM 256 C GLU A 17 6.483 8.339 -3.899 1.00 0.00 C ATOM 257 O GLU A 17 5.624 8.241 -4.771 1.00 0.00 O ATOM 258 CB GLU A 17 6.966 10.630 -2.959 1.00 0.00 C ATOM 259 CG GLU A 17 6.325 11.776 -2.164 1.00 0.00 C ATOM 260 CD GLU A 17 6.872 13.143 -2.622 1.00 0.00 C ATOM 261 OE1 GLU A 17 8.051 13.466 -2.339 1.00 0.00 O ATOM 262 OE2 GLU A 17 6.122 13.909 -3.275 1.00 0.00 O ATOM 0 H GLU A 17 7.653 8.964 -1.203 1.00 0.00 H new ATOM 0 HA GLU A 17 5.186 9.465 -2.641 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.016 10.540 -2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.937 10.867 -4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.243 11.752 -2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.522 11.640 -1.101 1.00 0.00 H new ATOM 269 N GLU A 18 7.585 7.584 -3.925 1.00 0.00 N ATOM 270 CA GLU A 18 7.735 6.411 -4.802 1.00 0.00 C ATOM 271 C GLU A 18 6.626 5.379 -4.525 1.00 0.00 C ATOM 272 O GLU A 18 5.978 4.891 -5.453 1.00 0.00 O ATOM 273 CB GLU A 18 9.137 5.812 -4.611 1.00 0.00 C ATOM 274 CG GLU A 18 9.436 4.656 -5.572 1.00 0.00 C ATOM 275 CD GLU A 18 10.846 4.091 -5.319 1.00 0.00 C ATOM 276 OE1 GLU A 18 11.066 3.477 -4.246 1.00 0.00 O ATOM 277 OE2 GLU A 18 11.740 4.254 -6.185 1.00 0.00 O ATOM 0 H GLU A 18 8.400 7.766 -3.340 1.00 0.00 H new ATOM 0 HA GLU A 18 7.630 6.716 -5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.882 6.595 -4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.237 5.458 -3.585 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.694 3.868 -5.443 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.357 5.003 -6.602 1.00 0.00 H new ATOM 284 N ALA A 19 6.354 5.109 -3.243 1.00 0.00 N ATOM 285 CA ALA A 19 5.224 4.296 -2.790 1.00 0.00 C ATOM 286 C ALA A 19 3.872 4.817 -3.332 1.00 0.00 C ATOM 287 O ALA A 19 3.113 4.055 -3.939 1.00 0.00 O ATOM 288 CB ALA A 19 5.297 4.187 -1.261 1.00 0.00 C ATOM 0 H ALA A 19 6.928 5.459 -2.476 1.00 0.00 H new ATOM 0 HA ALA A 19 5.291 3.289 -3.203 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.464 3.585 -0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.237 3.716 -0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.242 5.183 -0.822 1.00 0.00 H new ATOM 294 N LYS A 20 3.591 6.124 -3.197 1.00 0.00 N ATOM 295 CA LYS A 20 2.392 6.778 -3.762 1.00 0.00 C ATOM 296 C LYS A 20 2.314 6.627 -5.283 1.00 0.00 C ATOM 297 O LYS A 20 1.283 6.195 -5.792 1.00 0.00 O ATOM 298 CB LYS A 20 2.349 8.259 -3.339 1.00 0.00 C ATOM 299 CG LYS A 20 1.003 8.963 -3.605 1.00 0.00 C ATOM 300 CD LYS A 20 -0.132 8.498 -2.673 1.00 0.00 C ATOM 301 CE LYS A 20 -1.115 7.495 -3.298 1.00 0.00 C ATOM 302 NZ LYS A 20 -2.163 8.157 -4.119 1.00 0.00 N ATOM 0 H LYS A 20 4.196 6.767 -2.686 1.00 0.00 H new ATOM 0 HA LYS A 20 1.514 6.274 -3.358 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.575 8.326 -2.275 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.136 8.797 -3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.137 10.039 -3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.708 8.786 -4.639 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.310 8.046 -1.785 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.691 9.373 -2.341 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.563 6.790 -3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.591 6.917 -2.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.011 7.556 -4.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.405 9.077 -3.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.807 8.302 -5.085 1.00 0.00 H new ATOM 316 N LYS A 21 3.397 6.924 -6.010 1.00 0.00 N ATOM 317 CA LYS A 21 3.495 6.785 -7.473 1.00 0.00 C ATOM 318 C LYS A 21 3.266 5.351 -7.967 1.00 0.00 C ATOM 319 O LYS A 21 2.679 5.175 -9.033 1.00 0.00 O ATOM 320 CB LYS A 21 4.835 7.358 -7.961 1.00 0.00 C ATOM 321 CG LYS A 21 4.803 8.897 -7.961 1.00 0.00 C ATOM 322 CD LYS A 21 6.108 9.541 -8.453 1.00 0.00 C ATOM 323 CE LYS A 21 7.280 9.282 -7.496 1.00 0.00 C ATOM 324 NZ LYS A 21 8.505 10.005 -7.928 1.00 0.00 N ATOM 0 H LYS A 21 4.255 7.278 -5.588 1.00 0.00 H new ATOM 0 HA LYS A 21 2.682 7.364 -7.911 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.642 7.006 -7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.047 6.994 -8.966 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.981 9.235 -8.592 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.594 9.247 -6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.354 9.150 -9.440 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.962 10.616 -8.563 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.006 9.597 -6.489 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.484 8.212 -7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.278 9.809 -7.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.780 9.685 -8.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.316 11.027 -7.948 1.00 0.00 H new ATOM 338 N LYS A 22 3.625 4.318 -7.195 1.00 0.00 N ATOM 339 CA LYS A 22 3.192 2.938 -7.484 1.00 0.00 C ATOM 340 C LYS A 22 1.679 2.739 -7.370 1.00 0.00 C ATOM 341 O LYS A 22 1.097 2.094 -8.237 1.00 0.00 O ATOM 342 CB LYS A 22 3.976 1.906 -6.648 1.00 0.00 C ATOM 343 CG LYS A 22 5.107 1.219 -7.440 1.00 0.00 C ATOM 344 CD LYS A 22 4.686 0.522 -8.753 1.00 0.00 C ATOM 345 CE LYS A 22 3.456 -0.380 -8.583 1.00 0.00 C ATOM 346 NZ LYS A 22 3.094 -1.088 -9.836 1.00 0.00 N ATOM 0 H LYS A 22 4.213 4.407 -6.366 1.00 0.00 H new ATOM 0 HA LYS A 22 3.433 2.762 -8.532 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.401 2.402 -5.775 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.286 1.147 -6.279 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.865 1.966 -7.675 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.579 0.479 -6.794 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.474 1.279 -9.508 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.519 -0.075 -9.125 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.651 -1.112 -7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.610 0.223 -8.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.075 -1.298 -9.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.322 -0.486 -10.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.630 -1.977 -9.900 1.00 0.00 H new ATOM 360 N ALA A 23 1.006 3.323 -6.382 1.00 0.00 N ATOM 361 CA ALA A 23 -0.458 3.319 -6.388 1.00 0.00 C ATOM 362 C ALA A 23 -1.050 4.098 -7.582 1.00 0.00 C ATOM 363 O ALA A 23 -2.083 3.699 -8.118 1.00 0.00 O ATOM 364 CB ALA A 23 -0.993 3.806 -5.035 1.00 0.00 C ATOM 0 H ALA A 23 1.435 3.794 -5.585 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.792 2.291 -6.528 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.083 3.799 -5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.637 3.146 -4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.639 4.820 -4.848 1.00 0.00 H new ATOM 370 N GLU A 24 -0.379 5.144 -8.082 1.00 0.00 N ATOM 371 CA GLU A 24 -0.776 5.820 -9.323 1.00 0.00 C ATOM 372 C GLU A 24 -0.601 4.940 -10.576 1.00 0.00 C ATOM 373 O GLU A 24 -1.325 5.093 -11.556 1.00 0.00 O ATOM 374 CB GLU A 24 -0.027 7.148 -9.508 1.00 0.00 C ATOM 375 CG GLU A 24 -0.188 8.162 -8.366 1.00 0.00 C ATOM 376 CD GLU A 24 -1.654 8.495 -8.045 1.00 0.00 C ATOM 377 OE1 GLU A 24 -2.459 8.677 -8.990 1.00 0.00 O ATOM 378 OE2 GLU A 24 -1.992 8.593 -6.841 1.00 0.00 O ATOM 0 H GLU A 24 0.449 5.543 -7.640 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.841 6.024 -9.215 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.034 6.932 -9.632 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.368 7.612 -10.433 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.291 7.768 -7.470 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.336 9.081 -8.630 1.00 0.00 H new ATOM 385 N ASP A 25 0.300 3.960 -10.542 1.00 0.00 N ATOM 386 CA ASP A 25 0.414 2.907 -11.560 1.00 0.00 C ATOM 387 C ASP A 25 -0.841 2.015 -11.626 1.00 0.00 C ATOM 388 O ASP A 25 -1.205 1.492 -12.679 1.00 0.00 O ATOM 389 CB ASP A 25 1.644 2.049 -11.221 1.00 0.00 C ATOM 390 CG ASP A 25 2.354 1.425 -12.431 1.00 0.00 C ATOM 391 OD1 ASP A 25 2.414 2.043 -13.520 1.00 0.00 O ATOM 392 OD2 ASP A 25 2.906 0.311 -12.257 1.00 0.00 O ATOM 0 H ASP A 25 0.987 3.870 -9.793 1.00 0.00 H new ATOM 0 HA ASP A 25 0.517 3.379 -12.537 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.360 2.666 -10.677 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.336 1.249 -10.547 1.00 0.00 H new ATOM 397 N GLN A 26 -1.533 1.863 -10.494 1.00 0.00 N ATOM 398 CA GLN A 26 -2.813 1.151 -10.419 1.00 0.00 C ATOM 399 C GLN A 26 -4.026 2.076 -10.645 1.00 0.00 C ATOM 400 O GLN A 26 -5.074 1.627 -11.102 1.00 0.00 O ATOM 401 CB GLN A 26 -2.908 0.407 -9.089 1.00 0.00 C ATOM 402 CG GLN A 26 -2.077 -0.888 -9.038 1.00 0.00 C ATOM 403 CD GLN A 26 -0.685 -0.742 -8.445 1.00 0.00 C ATOM 404 OE1 GLN A 26 0.327 -0.808 -9.130 1.00 0.00 O ATOM 405 NE2 GLN A 26 -0.581 -0.618 -7.138 1.00 0.00 N ATOM 0 H GLN A 26 -1.219 2.233 -9.597 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.842 0.427 -11.234 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.579 1.070 -8.289 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.953 0.165 -8.893 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.626 -1.630 -8.458 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.984 -1.281 -10.050 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.421 -0.563 -6.563 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.340 -0.577 -6.701 1.00 0.00 H new ATOM 414 N LYS A 27 -3.878 3.384 -10.419 1.00 0.00 N ATOM 415 CA LYS A 27 -4.782 4.432 -10.930 1.00 0.00 C ATOM 416 C LYS A 27 -4.807 4.441 -12.460 1.00 0.00 C ATOM 417 O LYS A 27 -5.851 4.584 -13.092 1.00 0.00 O ATOM 418 CB LYS A 27 -4.313 5.763 -10.333 1.00 0.00 C ATOM 419 CG LYS A 27 -5.335 6.906 -10.354 1.00 0.00 C ATOM 420 CD LYS A 27 -5.479 7.652 -11.694 1.00 0.00 C ATOM 421 CE LYS A 27 -4.150 8.148 -12.292 1.00 0.00 C ATOM 422 NZ LYS A 27 -3.533 9.225 -11.474 1.00 0.00 N ATOM 0 H LYS A 27 -3.109 3.758 -9.863 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.813 4.245 -10.629 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.013 5.589 -9.300 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.423 6.087 -10.873 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.309 6.502 -10.078 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.060 7.628 -9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.963 6.991 -12.413 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.140 8.507 -11.551 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.455 7.312 -12.372 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.324 8.516 -13.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.677 9.575 -11.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.210 10.006 -11.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.280 8.848 -10.538 1.00 0.00 H new ATOM 436 N GLU A 28 -3.644 4.231 -13.064 1.00 0.00 N ATOM 437 CA GLU A 28 -3.528 3.963 -14.502 1.00 0.00 C ATOM 438 C GLU A 28 -4.306 2.710 -14.936 1.00 0.00 C ATOM 439 O GLU A 28 -4.895 2.700 -16.019 1.00 0.00 O ATOM 440 CB GLU A 28 -2.044 3.890 -14.912 1.00 0.00 C ATOM 441 CG GLU A 28 -1.772 4.102 -16.409 1.00 0.00 C ATOM 442 CD GLU A 28 -1.973 5.553 -16.884 1.00 0.00 C ATOM 443 OE1 GLU A 28 -2.348 6.440 -16.083 1.00 0.00 O ATOM 444 OE2 GLU A 28 -1.804 5.830 -18.094 1.00 0.00 O ATOM 0 H GLU A 28 -2.749 4.241 -12.574 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.991 4.796 -15.031 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.490 4.640 -14.348 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.650 2.916 -14.621 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.749 3.797 -16.628 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.429 3.449 -16.983 1.00 0.00 H new ATOM 451 N GLU A 29 -4.380 1.676 -14.090 1.00 0.00 N ATOM 452 CA GLU A 29 -5.342 0.582 -14.285 1.00 0.00 C ATOM 453 C GLU A 29 -6.801 1.093 -14.298 1.00 0.00 C ATOM 454 O GLU A 29 -7.399 1.090 -15.359 1.00 0.00 O ATOM 455 CB GLU A 29 -5.061 -0.605 -13.343 1.00 0.00 C ATOM 456 CG GLU A 29 -5.562 -1.929 -13.937 1.00 0.00 C ATOM 457 CD GLU A 29 -5.032 -3.149 -13.157 1.00 0.00 C ATOM 458 OE1 GLU A 29 -5.390 -3.327 -11.969 1.00 0.00 O ATOM 459 OE2 GLU A 29 -4.267 -3.951 -13.748 1.00 0.00 O ATOM 0 H GLU A 29 -3.788 1.573 -13.266 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.197 0.169 -15.283 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.990 -0.673 -13.152 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.545 -0.430 -12.382 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.652 -1.940 -13.930 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.249 -2.001 -14.979 1.00 0.00 H new ATOM 466 N ASP A 30 -7.378 1.625 -13.221 1.00 0.00 N ATOM 467 CA ASP A 30 -8.710 2.225 -13.108 1.00 0.00 C ATOM 468 C ASP A 30 -9.272 2.889 -14.375 1.00 0.00 C ATOM 469 O ASP A 30 -10.352 2.502 -14.819 1.00 0.00 O ATOM 470 CB ASP A 30 -8.710 3.149 -11.871 1.00 0.00 C ATOM 471 CG ASP A 30 -9.959 4.043 -11.742 1.00 0.00 C ATOM 472 OD1 ASP A 30 -9.984 5.128 -12.371 1.00 0.00 O ATOM 473 OD2 ASP A 30 -10.886 3.711 -10.969 1.00 0.00 O ATOM 0 H ASP A 30 -6.885 1.650 -12.329 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.423 1.411 -12.976 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.624 2.535 -10.974 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.826 3.785 -11.908 1.00 0.00 H new ATOM 478 N ARG A 31 -8.543 3.802 -15.027 1.00 0.00 N ATOM 479 CA ARG A 31 -9.055 4.598 -16.148 1.00 0.00 C ATOM 480 C ARG A 31 -9.028 3.801 -17.446 1.00 0.00 C ATOM 481 O ARG A 31 -9.853 4.029 -18.329 1.00 0.00 O ATOM 482 CB ARG A 31 -8.308 5.936 -16.214 1.00 0.00 C ATOM 483 CG ARG A 31 -6.863 5.819 -16.710 1.00 0.00 C ATOM 484 CD ARG A 31 -6.046 7.011 -16.201 1.00 0.00 C ATOM 485 NE ARG A 31 -4.840 7.231 -17.016 1.00 0.00 N ATOM 486 CZ ARG A 31 -4.746 7.841 -18.183 1.00 0.00 C ATOM 487 NH1 ARG A 31 -5.754 8.452 -18.742 1.00 0.00 N ATOM 488 NH2 ARG A 31 -3.614 7.836 -18.822 1.00 0.00 N ATOM 0 H ARG A 31 -7.573 4.011 -14.789 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.106 4.836 -15.987 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.853 6.613 -16.872 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.305 6.388 -15.222 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.422 4.886 -16.359 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.843 5.790 -17.799 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.664 7.909 -16.216 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.758 6.839 -15.164 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.968 6.867 -16.631 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.661 8.471 -18.276 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.635 8.910 -19.645 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.804 7.362 -18.421 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.535 8.306 -19.724 1.00 0.00 H new ATOM 502 N ARG A 32 -8.120 2.817 -17.523 1.00 0.00 N ATOM 503 CA ARG A 32 -8.069 1.808 -18.578 1.00 0.00 C ATOM 504 C ARG A 32 -8.958 0.599 -18.364 1.00 0.00 C ATOM 505 O ARG A 32 -9.291 -0.110 -19.304 1.00 0.00 O ATOM 506 CB ARG A 32 -6.612 1.515 -18.923 1.00 0.00 C ATOM 507 CG ARG A 32 -6.220 0.056 -19.151 1.00 0.00 C ATOM 508 CD ARG A 32 -6.267 -0.708 -17.823 1.00 0.00 C ATOM 509 NE ARG A 32 -5.101 -1.601 -17.662 1.00 0.00 N ATOM 510 CZ ARG A 32 -3.848 -1.252 -17.409 1.00 0.00 C ATOM 511 NH1 ARG A 32 -3.479 -0.012 -17.238 1.00 0.00 N ATOM 512 NH2 ARG A 32 -2.923 -2.162 -17.319 1.00 0.00 N ATOM 0 H ARG A 32 -7.381 2.703 -16.829 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.536 2.226 -19.470 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.360 2.075 -19.823 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.990 1.908 -18.119 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.898 -0.404 -19.870 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.218 0.001 -19.577 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.298 0.002 -16.996 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.184 -1.295 -17.774 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.281 -2.601 -17.756 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.168 0.738 -17.297 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.502 0.207 -17.045 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.162 -3.146 -17.443 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.959 -1.892 -17.124 1.00 0.00 H new ATOM 526 N ASN A 33 -9.324 0.371 -17.120 1.00 0.00 N ATOM 527 CA ASN A 33 -10.032 -0.821 -16.669 1.00 0.00 C ATOM 528 C ASN A 33 -11.550 -0.602 -16.480 1.00 0.00 C ATOM 529 O ASN A 33 -12.296 -1.516 -16.174 1.00 0.00 O ATOM 530 CB ASN A 33 -9.257 -1.439 -15.496 1.00 0.00 C ATOM 531 CG ASN A 33 -9.447 -2.928 -15.500 1.00 0.00 C ATOM 532 OD1 ASN A 33 -10.466 -3.477 -15.124 1.00 0.00 O ATOM 533 ND2 ASN A 33 -8.476 -3.618 -16.025 1.00 0.00 N ATOM 0 H ASN A 33 -9.133 1.030 -16.365 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.043 -1.578 -17.453 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.197 -1.197 -15.578 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.608 -1.019 -14.553 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.565 -4.629 -16.125 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.626 -3.147 -16.337 1.00 0.00 H new ATOM 540 N TYR A 34 -12.008 0.620 -16.714 1.00 0.00 N ATOM 541 CA TYR A 34 -13.377 1.104 -17.049 1.00 0.00 C ATOM 542 C TYR A 34 -13.969 0.596 -18.368 1.00 0.00 C ATOM 543 O TYR A 34 -15.089 0.087 -18.372 1.00 0.00 O ATOM 544 CB TYR A 34 -13.447 2.637 -17.054 1.00 0.00 C ATOM 545 CG TYR A 34 -13.894 3.194 -15.759 1.00 0.00 C ATOM 546 CD1 TYR A 34 -15.144 2.878 -15.215 1.00 0.00 C ATOM 547 CD2 TYR A 34 -12.974 3.965 -15.060 1.00 0.00 C ATOM 548 CE1 TYR A 34 -15.459 3.348 -13.934 1.00 0.00 C ATOM 549 CE2 TYR A 34 -13.269 4.401 -13.784 1.00 0.00 C ATOM 550 CZ TYR A 34 -14.535 4.143 -13.211 1.00 0.00 C ATOM 551 OH TYR A 34 -14.852 4.631 -11.979 1.00 0.00 O ATOM 0 H TYR A 34 -11.362 1.408 -16.673 1.00 0.00 H new ATOM 0 HA TYR A 34 -13.984 0.676 -16.251 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.464 3.040 -17.298 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -14.129 2.963 -17.839 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -15.852 2.283 -15.772 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.029 4.223 -15.514 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.414 3.103 -13.493 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.526 4.944 -13.219 1.00 0.00 H new ATOM 0 HH TYR A 34 -14.838 3.902 -11.325 1.00 0.00 H new ATOM 561 N PRO A 35 -13.216 0.681 -19.470 1.00 0.00 N ATOM 562 CA PRO A 35 -13.332 -0.145 -20.670 1.00 0.00 C ATOM 563 C PRO A 35 -13.833 -1.568 -20.426 1.00 0.00 C ATOM 564 O PRO A 35 -14.673 -2.101 -21.153 1.00 0.00 O ATOM 565 CB PRO A 35 -11.894 -0.135 -21.164 1.00 0.00 C ATOM 566 CG PRO A 35 -11.542 1.346 -21.004 1.00 0.00 C ATOM 567 CD PRO A 35 -12.136 1.636 -19.626 1.00 0.00 C ATOM 0 HA PRO A 35 -14.075 0.238 -21.369 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.248 -0.779 -20.567 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.811 -0.470 -22.198 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -10.467 1.521 -21.035 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -11.988 1.963 -21.784 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -11.388 1.517 -18.842 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -12.504 2.660 -19.563 1.00 0.00 H new ATOM 575 N THR A 36 -13.294 -2.156 -19.366 1.00 0.00 N ATOM 576 CA THR A 36 -13.546 -3.523 -18.886 1.00 0.00 C ATOM 577 C THR A 36 -14.504 -3.581 -17.682 1.00 0.00 C ATOM 578 O THR A 36 -15.134 -4.604 -17.418 1.00 0.00 O ATOM 579 CB THR A 36 -12.188 -4.181 -18.566 1.00 0.00 C ATOM 580 OG1 THR A 36 -11.130 -3.245 -18.537 1.00 0.00 O ATOM 581 CG2 THR A 36 -11.775 -5.111 -19.695 1.00 0.00 C ATOM 0 H THR A 36 -12.624 -1.665 -18.775 1.00 0.00 H new ATOM 0 HA THR A 36 -14.057 -4.076 -19.674 1.00 0.00 H new ATOM 0 HB THR A 36 -12.333 -4.674 -17.605 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.291 -3.706 -18.329 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.815 -5.569 -19.457 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.528 -5.890 -19.819 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.686 -4.542 -20.621 1.00 0.00 H new ATOM 589 N ASN A 37 -14.640 -2.468 -16.960 1.00 0.00 N ATOM 590 CA ASN A 37 -15.303 -2.224 -15.693 1.00 0.00 C ATOM 591 C ASN A 37 -15.014 -3.223 -14.574 1.00 0.00 C ATOM 592 O ASN A 37 -15.874 -3.597 -13.778 1.00 0.00 O ATOM 593 CB ASN A 37 -16.708 -1.657 -15.881 1.00 0.00 C ATOM 594 CG ASN A 37 -17.853 -2.642 -15.795 1.00 0.00 C ATOM 595 OD1 ASN A 37 -18.866 -2.398 -15.154 1.00 0.00 O ATOM 596 ND2 ASN A 37 -17.759 -3.777 -16.437 1.00 0.00 N ATOM 0 H ASN A 37 -14.227 -1.602 -17.306 1.00 0.00 H new ATOM 0 HA ASN A 37 -14.797 -1.391 -15.205 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.867 -0.884 -15.129 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.751 -1.169 -16.855 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.526 -4.449 -16.400 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.919 -3.991 -16.975 1.00 0.00 H new ATOM 603 N THR A 38 -13.718 -3.510 -14.451 1.00 0.00 N ATOM 604 CA THR A 38 -13.078 -3.899 -13.191 1.00 0.00 C ATOM 605 C THR A 38 -12.129 -2.806 -12.669 1.00 0.00 C ATOM 606 O THR A 38 -11.502 -2.981 -11.628 1.00 0.00 O ATOM 607 CB THR A 38 -12.460 -5.291 -13.335 1.00 0.00 C ATOM 608 OG1 THR A 38 -13.462 -6.109 -13.887 1.00 0.00 O ATOM 609 CG2 THR A 38 -12.019 -5.931 -12.033 1.00 0.00 C ATOM 0 H THR A 38 -13.070 -3.478 -15.238 1.00 0.00 H new ATOM 0 HA THR A 38 -13.827 -3.983 -12.403 1.00 0.00 H new ATOM 0 HB THR A 38 -11.562 -5.189 -13.944 1.00 0.00 H new ATOM 0 HG1 THR A 38 -13.115 -7.018 -14.002 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.594 -6.914 -12.236 1.00 0.00 H new ATOM 0 HG22 THR A 38 -11.267 -5.303 -11.555 1.00 0.00 H new ATOM 0 HG23 THR A 38 -12.878 -6.037 -11.370 1.00 0.00 H new ATOM 617 N TYR A 39 -12.117 -1.638 -13.335 1.00 0.00 N ATOM 618 CA TYR A 39 -11.678 -0.295 -12.881 1.00 0.00 C ATOM 619 C TYR A 39 -11.402 -0.070 -11.372 1.00 0.00 C ATOM 620 O TYR A 39 -10.437 0.601 -11.021 1.00 0.00 O ATOM 621 CB TYR A 39 -12.749 0.722 -13.286 1.00 0.00 C ATOM 622 CG TYR A 39 -13.952 0.775 -12.371 1.00 0.00 C ATOM 623 CD1 TYR A 39 -14.988 -0.158 -12.515 1.00 0.00 C ATOM 624 CD2 TYR A 39 -13.975 1.693 -11.307 1.00 0.00 C ATOM 625 CE1 TYR A 39 -16.074 -0.162 -11.629 1.00 0.00 C ATOM 626 CE2 TYR A 39 -15.070 1.710 -10.421 1.00 0.00 C ATOM 627 CZ TYR A 39 -16.128 0.785 -10.582 1.00 0.00 C ATOM 628 OH TYR A 39 -17.184 0.783 -9.723 1.00 0.00 O ATOM 0 H TYR A 39 -12.446 -1.601 -14.300 1.00 0.00 H new ATOM 0 HA TYR A 39 -10.706 -0.181 -13.360 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -12.294 1.712 -13.323 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -13.088 0.489 -14.295 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -14.949 -0.881 -13.316 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -13.156 2.383 -11.169 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -16.867 -0.886 -11.746 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -15.102 2.431 -9.617 1.00 0.00 H new ATOM 0 HH TYR A 39 -17.068 1.496 -9.061 1.00 0.00 H new ATOM 638 N LYS A 40 -12.219 -0.599 -10.450 1.00 0.00 N ATOM 639 CA LYS A 40 -12.095 -0.392 -9.005 1.00 0.00 C ATOM 640 C LYS A 40 -10.840 -1.033 -8.427 1.00 0.00 C ATOM 641 O LYS A 40 -10.478 -0.719 -7.296 1.00 0.00 O ATOM 642 CB LYS A 40 -13.378 -0.912 -8.328 1.00 0.00 C ATOM 643 CG LYS A 40 -14.060 0.129 -7.433 1.00 0.00 C ATOM 644 CD LYS A 40 -13.524 0.242 -5.997 1.00 0.00 C ATOM 645 CE LYS A 40 -13.746 -1.047 -5.194 1.00 0.00 C ATOM 646 NZ LYS A 40 -13.515 -0.834 -3.743 1.00 0.00 N ATOM 0 H LYS A 40 -13.005 -1.199 -10.699 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.984 0.674 -8.806 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -14.080 -1.235 -9.097 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -13.134 -1.790 -7.730 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.969 1.104 -7.911 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -15.124 -0.104 -7.385 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.459 0.472 -6.025 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.016 1.073 -5.491 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -14.764 -1.404 -5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.075 -1.824 -5.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.607 -1.740 -3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.559 -0.452 -3.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.217 -0.161 -3.375 1.00 0.00 H new ATOM 660 N THR A 41 -10.205 -1.900 -9.227 1.00 0.00 N ATOM 661 CA THR A 41 -8.787 -2.273 -9.195 1.00 0.00 C ATOM 662 C THR A 41 -8.221 -2.262 -7.784 1.00 0.00 C ATOM 663 O THR A 41 -7.535 -1.344 -7.337 1.00 0.00 O ATOM 664 CB THR A 41 -7.938 -1.441 -10.166 1.00 0.00 C ATOM 665 OG1 THR A 41 -8.027 -0.052 -9.939 1.00 0.00 O ATOM 666 CG2 THR A 41 -8.322 -1.668 -11.633 1.00 0.00 C ATOM 0 H THR A 41 -10.706 -2.394 -9.966 1.00 0.00 H new ATOM 0 HA THR A 41 -8.734 -3.304 -9.546 1.00 0.00 H new ATOM 0 HB THR A 41 -6.922 -1.787 -9.975 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.894 0.276 -10.257 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.689 -1.054 -12.274 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.184 -2.719 -11.887 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.366 -1.392 -11.783 1.00 0.00 H new ATOM 674 N LEU A 42 -8.598 -3.298 -7.043 1.00 0.00 N ATOM 675 CA LEU A 42 -8.341 -3.366 -5.596 1.00 0.00 C ATOM 676 C LEU A 42 -6.849 -3.198 -5.260 1.00 0.00 C ATOM 677 O LEU A 42 -6.541 -2.672 -4.204 1.00 0.00 O ATOM 678 CB LEU A 42 -8.962 -4.612 -4.913 1.00 0.00 C ATOM 679 CG LEU A 42 -10.488 -4.730 -4.867 1.00 0.00 C ATOM 680 CD1 LEU A 42 -11.074 -3.585 -4.069 1.00 0.00 C ATOM 681 CD2 LEU A 42 -11.163 -4.802 -6.233 1.00 0.00 C ATOM 0 H LEU A 42 -9.087 -4.111 -7.417 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.862 -2.510 -5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.575 -5.496 -5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.595 -4.646 -3.887 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.691 -5.685 -4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.160 -3.678 -4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.682 -3.612 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.802 -2.639 -4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.242 -4.884 -6.102 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.934 -3.900 -6.800 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.796 -5.674 -6.775 1.00 0.00 H new ATOM 693 N GLU A 43 -5.918 -3.548 -6.155 1.00 0.00 N ATOM 694 CA GLU A 43 -4.477 -3.246 -6.032 1.00 0.00 C ATOM 695 C GLU A 43 -4.078 -1.753 -6.084 1.00 0.00 C ATOM 696 O GLU A 43 -3.000 -1.403 -5.599 1.00 0.00 O ATOM 697 CB GLU A 43 -3.660 -4.114 -6.996 1.00 0.00 C ATOM 698 CG GLU A 43 -4.131 -4.085 -8.451 1.00 0.00 C ATOM 699 CD GLU A 43 -3.196 -4.972 -9.291 1.00 0.00 C ATOM 700 OE1 GLU A 43 -3.351 -6.217 -9.222 1.00 0.00 O ATOM 701 OE2 GLU A 43 -2.264 -4.450 -9.947 1.00 0.00 O ATOM 0 H GLU A 43 -6.145 -4.061 -7.007 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.223 -3.514 -5.006 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.620 -3.790 -6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.685 -5.145 -6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.158 -4.444 -8.523 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.124 -3.063 -8.830 1.00 0.00 H new ATOM 708 N LEU A 44 -4.923 -0.851 -6.597 1.00 0.00 N ATOM 709 CA LEU A 44 -4.856 0.585 -6.301 1.00 0.00 C ATOM 710 C LEU A 44 -5.141 0.803 -4.815 1.00 0.00 C ATOM 711 O LEU A 44 -4.314 1.346 -4.089 1.00 0.00 O ATOM 712 CB LEU A 44 -5.879 1.336 -7.189 1.00 0.00 C ATOM 713 CG LEU A 44 -5.679 2.850 -7.351 1.00 0.00 C ATOM 714 CD1 LEU A 44 -6.840 3.412 -8.173 1.00 0.00 C ATOM 715 CD2 LEU A 44 -5.605 3.652 -6.051 1.00 0.00 C ATOM 0 H LEU A 44 -5.679 -1.099 -7.235 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.862 0.976 -6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.864 0.884 -8.181 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.874 1.167 -6.777 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.708 2.959 -7.834 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.711 4.487 -8.296 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.857 2.934 -9.152 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.780 3.216 -7.657 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.463 4.708 -6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.532 3.525 -5.492 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.767 3.296 -5.451 1.00 0.00 H new ATOM 727 N GLU A 45 -6.310 0.358 -4.360 1.00 0.00 N ATOM 728 CA GLU A 45 -6.816 0.640 -3.012 1.00 0.00 C ATOM 729 C GLU A 45 -5.957 0.007 -1.892 1.00 0.00 C ATOM 730 O GLU A 45 -5.677 0.661 -0.889 1.00 0.00 O ATOM 731 CB GLU A 45 -8.293 0.240 -2.969 1.00 0.00 C ATOM 732 CG GLU A 45 -9.049 0.915 -1.822 1.00 0.00 C ATOM 733 CD GLU A 45 -10.533 0.500 -1.741 1.00 0.00 C ATOM 734 OE1 GLU A 45 -11.113 0.040 -2.754 1.00 0.00 O ATOM 735 OE2 GLU A 45 -11.149 0.668 -0.661 1.00 0.00 O ATOM 0 H GLU A 45 -6.942 -0.215 -4.920 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.736 1.707 -2.806 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.765 0.503 -3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.370 -0.842 -2.864 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.559 0.671 -0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.987 1.997 -1.942 1.00 0.00 H new ATOM 742 N ILE A 46 -5.470 -1.223 -2.094 1.00 0.00 N ATOM 743 CA ILE A 46 -4.439 -1.931 -1.300 1.00 0.00 C ATOM 744 C ILE A 46 -3.183 -1.076 -1.169 1.00 0.00 C ATOM 745 O ILE A 46 -2.769 -0.759 -0.051 1.00 0.00 O ATOM 746 CB ILE A 46 -4.087 -3.266 -1.988 1.00 0.00 C ATOM 747 CG1 ILE A 46 -5.194 -4.294 -1.861 1.00 0.00 C ATOM 748 CG2 ILE A 46 -2.746 -3.901 -1.558 1.00 0.00 C ATOM 749 CD1 ILE A 46 -5.185 -5.395 -2.926 1.00 0.00 C ATOM 0 H ILE A 46 -5.804 -1.796 -2.869 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.835 -2.124 -0.303 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.970 -2.977 -3.032 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.124 -4.760 -0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.154 -3.779 -1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.595 -4.834 -2.100 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.930 -3.215 -1.783 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.766 -4.103 -0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.014 -6.080 -2.749 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.290 -4.946 -3.914 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.244 -5.944 -2.874 1.00 0.00 H new ATOM 761 N ALA A 47 -2.574 -0.719 -2.310 1.00 0.00 N ATOM 762 CA ALA A 47 -1.333 0.043 -2.324 1.00 0.00 C ATOM 763 C ALA A 47 -1.534 1.399 -1.643 1.00 0.00 C ATOM 764 O ALA A 47 -0.741 1.786 -0.793 1.00 0.00 O ATOM 765 CB ALA A 47 -0.841 0.190 -3.768 1.00 0.00 C ATOM 0 H ALA A 47 -2.930 -0.952 -3.237 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.566 -0.488 -1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.088 0.760 -3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.666 -0.797 -4.195 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.595 0.712 -4.358 1.00 0.00 H new ATOM 771 N GLU A 48 -2.623 2.098 -1.960 1.00 0.00 N ATOM 772 CA GLU A 48 -2.922 3.409 -1.386 1.00 0.00 C ATOM 773 C GLU A 48 -3.135 3.336 0.135 1.00 0.00 C ATOM 774 O GLU A 48 -2.561 4.141 0.867 1.00 0.00 O ATOM 775 CB GLU A 48 -4.111 4.039 -2.126 1.00 0.00 C ATOM 776 CG GLU A 48 -4.355 5.486 -1.682 1.00 0.00 C ATOM 777 CD GLU A 48 -5.186 6.251 -2.726 1.00 0.00 C ATOM 778 OE1 GLU A 48 -6.438 6.246 -2.645 1.00 0.00 O ATOM 779 OE2 GLU A 48 -4.573 6.878 -3.624 1.00 0.00 O ATOM 0 H GLU A 48 -3.325 1.770 -2.624 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.059 4.060 -1.526 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.925 4.015 -3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.008 3.447 -1.944 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.873 5.493 -0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.400 5.990 -1.532 1.00 0.00 H new ATOM 786 N SER A 49 -3.891 2.351 0.628 1.00 0.00 N ATOM 787 CA SER A 49 -4.148 2.162 2.059 1.00 0.00 C ATOM 788 C SER A 49 -2.877 1.820 2.853 1.00 0.00 C ATOM 789 O SER A 49 -2.609 2.458 3.872 1.00 0.00 O ATOM 790 CB SER A 49 -5.225 1.102 2.263 1.00 0.00 C ATOM 791 OG SER A 49 -6.447 1.471 1.652 1.00 0.00 O ATOM 0 H SER A 49 -4.347 1.655 0.038 1.00 0.00 H new ATOM 0 HA SER A 49 -4.505 3.114 2.452 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.884 0.153 1.850 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.384 0.946 3.330 1.00 0.00 H new ATOM 0 HG SER A 49 -6.414 1.254 0.697 1.00 0.00 H new ATOM 797 N ASP A 50 -2.050 0.870 2.394 1.00 0.00 N ATOM 798 CA ASP A 50 -0.717 0.614 2.962 1.00 0.00 C ATOM 799 C ASP A 50 0.209 1.857 2.924 1.00 0.00 C ATOM 800 O ASP A 50 0.910 2.155 3.892 1.00 0.00 O ATOM 801 CB ASP A 50 -0.075 -0.555 2.206 1.00 0.00 C ATOM 802 CG ASP A 50 1.300 -0.925 2.788 1.00 0.00 C ATOM 803 OD1 ASP A 50 1.348 -1.492 3.905 1.00 0.00 O ATOM 804 OD2 ASP A 50 2.330 -0.668 2.120 1.00 0.00 O ATOM 0 H ASP A 50 -2.287 0.255 1.616 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.845 0.366 4.016 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.734 -1.422 2.250 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.034 -0.291 1.154 1.00 0.00 H new ATOM 809 N VAL A 51 0.203 2.621 1.825 1.00 0.00 N ATOM 810 CA VAL A 51 1.037 3.826 1.643 1.00 0.00 C ATOM 811 C VAL A 51 0.599 4.961 2.570 1.00 0.00 C ATOM 812 O VAL A 51 1.426 5.696 3.105 1.00 0.00 O ATOM 813 CB VAL A 51 1.063 4.251 0.163 1.00 0.00 C ATOM 814 CG1 VAL A 51 1.606 5.664 -0.063 1.00 0.00 C ATOM 815 CG2 VAL A 51 1.975 3.279 -0.586 1.00 0.00 C ATOM 0 H VAL A 51 -0.390 2.420 1.020 1.00 0.00 H new ATOM 0 HA VAL A 51 2.060 3.578 1.927 1.00 0.00 H new ATOM 0 HB VAL A 51 0.033 4.238 -0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.594 5.892 -1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.983 6.383 0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.629 5.725 0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.014 3.555 -1.640 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.978 3.322 -0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.584 2.266 -0.490 1.00 0.00 H new ATOM 825 N GLU A 52 -0.695 5.086 2.836 1.00 0.00 N ATOM 826 CA GLU A 52 -1.219 6.006 3.846 1.00 0.00 C ATOM 827 C GLU A 52 -0.914 5.593 5.299 1.00 0.00 C ATOM 828 O GLU A 52 -0.881 6.457 6.177 1.00 0.00 O ATOM 829 CB GLU A 52 -2.730 6.196 3.645 1.00 0.00 C ATOM 830 CG GLU A 52 -3.054 7.156 2.499 1.00 0.00 C ATOM 831 CD GLU A 52 -4.549 7.535 2.493 1.00 0.00 C ATOM 832 OE1 GLU A 52 -5.408 6.673 2.187 1.00 0.00 O ATOM 833 OE2 GLU A 52 -4.879 8.709 2.795 1.00 0.00 O ATOM 0 H GLU A 52 -1.418 4.550 2.356 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.696 6.951 3.697 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.191 5.229 3.445 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.171 6.575 4.567 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.448 8.057 2.594 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.790 6.693 1.548 1.00 0.00 H new ATOM 840 N VAL A 53 -0.619 4.316 5.575 1.00 0.00 N ATOM 841 CA VAL A 53 -0.114 3.880 6.893 1.00 0.00 C ATOM 842 C VAL A 53 1.339 4.320 7.038 1.00 0.00 C ATOM 843 O VAL A 53 1.768 4.764 8.103 1.00 0.00 O ATOM 844 CB VAL A 53 -0.277 2.354 7.063 1.00 0.00 C ATOM 845 CG1 VAL A 53 0.617 1.749 8.155 1.00 0.00 C ATOM 846 CG2 VAL A 53 -1.745 2.039 7.361 1.00 0.00 C ATOM 0 H VAL A 53 -0.721 3.558 4.900 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.697 4.347 7.686 1.00 0.00 H new ATOM 0 HB VAL A 53 0.042 1.897 6.126 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.444 0.674 8.213 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.663 1.936 7.913 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.379 2.207 9.115 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.869 0.963 7.482 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.047 2.545 8.278 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.366 2.385 6.535 1.00 0.00 H new ATOM 856 N LYS A 54 2.071 4.284 5.924 1.00 0.00 N ATOM 857 CA LYS A 54 3.421 4.807 5.773 1.00 0.00 C ATOM 858 C LYS A 54 3.457 6.307 6.050 1.00 0.00 C ATOM 859 O LYS A 54 4.174 6.754 6.939 1.00 0.00 O ATOM 860 CB LYS A 54 3.884 4.436 4.352 1.00 0.00 C ATOM 861 CG LYS A 54 5.004 3.401 4.401 1.00 0.00 C ATOM 862 CD LYS A 54 4.481 2.031 4.871 1.00 0.00 C ATOM 863 CE LYS A 54 5.581 0.970 5.006 1.00 0.00 C ATOM 864 NZ LYS A 54 6.623 1.360 5.992 1.00 0.00 N ATOM 0 H LYS A 54 1.717 3.868 5.063 1.00 0.00 H new ATOM 0 HA LYS A 54 4.108 4.371 6.499 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.043 4.042 3.782 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.231 5.329 3.833 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.453 3.301 3.413 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.789 3.744 5.075 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.983 2.152 5.833 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.730 1.676 4.166 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.134 0.023 5.308 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.047 0.807 4.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.174 0.521 6.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.256 2.067 5.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.169 1.765 6.835 1.00 0.00 H new ATOM 878 N LYS A 55 2.596 7.072 5.374 1.00 0.00 N ATOM 879 CA LYS A 55 2.381 8.514 5.587 1.00 0.00 C ATOM 880 C LYS A 55 2.190 8.879 7.065 1.00 0.00 C ATOM 881 O LYS A 55 2.765 9.856 7.543 1.00 0.00 O ATOM 882 CB LYS A 55 1.140 8.929 4.769 1.00 0.00 C ATOM 883 CG LYS A 55 1.111 10.368 4.256 1.00 0.00 C ATOM 884 CD LYS A 55 2.217 10.595 3.218 1.00 0.00 C ATOM 885 CE LYS A 55 3.450 11.255 3.854 1.00 0.00 C ATOM 886 NZ LYS A 55 3.562 12.692 3.477 1.00 0.00 N ATOM 0 H LYS A 55 2.005 6.694 4.634 1.00 0.00 H new ATOM 0 HA LYS A 55 3.271 9.051 5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.057 8.260 3.913 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.256 8.769 5.386 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.139 10.582 3.812 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.240 11.059 5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.501 9.642 2.771 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.839 11.225 2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.391 11.167 4.939 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.349 10.725 3.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.560 12.983 3.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.194 12.828 2.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.010 13.270 4.143 1.00 0.00 H new ATOM 900 N ALA A 56 1.402 8.068 7.770 1.00 0.00 N ATOM 901 CA ALA A 56 1.063 8.253 9.176 1.00 0.00 C ATOM 902 C ALA A 56 2.245 7.926 10.103 1.00 0.00 C ATOM 903 O ALA A 56 2.478 8.635 11.081 1.00 0.00 O ATOM 904 CB ALA A 56 -0.165 7.396 9.499 1.00 0.00 C ATOM 0 H ALA A 56 0.970 7.239 7.363 1.00 0.00 H new ATOM 0 HA ALA A 56 0.830 9.303 9.352 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.432 7.523 10.548 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.001 7.707 8.872 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.062 6.347 9.307 1.00 0.00 H new ATOM 910 N GLU A 57 3.023 6.878 9.810 1.00 0.00 N ATOM 911 CA GLU A 57 4.194 6.539 10.609 1.00 0.00 C ATOM 912 C GLU A 57 5.302 7.604 10.485 1.00 0.00 C ATOM 913 O GLU A 57 5.958 7.893 11.486 1.00 0.00 O ATOM 914 CB GLU A 57 4.641 5.095 10.318 1.00 0.00 C ATOM 915 CG GLU A 57 5.821 4.945 9.365 1.00 0.00 C ATOM 916 CD GLU A 57 6.192 3.467 9.151 1.00 0.00 C ATOM 917 OE1 GLU A 57 6.929 2.893 9.988 1.00 0.00 O ATOM 918 OE2 GLU A 57 5.770 2.871 8.130 1.00 0.00 O ATOM 0 H GLU A 57 2.858 6.252 9.022 1.00 0.00 H new ATOM 0 HA GLU A 57 3.928 6.558 11.666 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.899 4.617 11.263 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.793 4.548 9.905 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.575 5.402 8.406 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.682 5.483 9.763 1.00 0.00 H new ATOM 925 N LEU A 58 5.481 8.240 9.310 1.00 0.00 N ATOM 926 CA LEU A 58 6.450 9.334 9.150 1.00 0.00 C ATOM 927 C LEU A 58 6.129 10.512 10.082 1.00 0.00 C ATOM 928 O LEU A 58 6.996 10.939 10.839 1.00 0.00 O ATOM 929 CB LEU A 58 6.580 9.827 7.688 1.00 0.00 C ATOM 930 CG LEU A 58 6.727 8.818 6.536 1.00 0.00 C ATOM 931 CD1 LEU A 58 7.230 9.601 5.330 1.00 0.00 C ATOM 932 CD2 LEU A 58 7.689 7.678 6.860 1.00 0.00 C ATOM 0 H LEU A 58 4.965 8.012 8.460 1.00 0.00 H new ATOM 0 HA LEU A 58 7.416 8.914 9.432 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.701 10.435 7.474 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.444 10.490 7.647 1.00 0.00 H new ATOM 0 HG LEU A 58 5.763 8.346 6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.351 8.926 4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.510 10.378 5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.190 10.060 5.568 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.750 7.000 6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.678 8.085 7.071 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.327 7.133 7.732 1.00 0.00 H new ATOM 944 N GLU A 59 4.898 11.032 10.098 1.00 0.00 N ATOM 945 CA GLU A 59 4.551 12.150 10.982 1.00 0.00 C ATOM 946 C GLU A 59 4.706 11.805 12.475 1.00 0.00 C ATOM 947 O GLU A 59 5.030 12.682 13.275 1.00 0.00 O ATOM 948 CB GLU A 59 3.179 12.738 10.624 1.00 0.00 C ATOM 949 CG GLU A 59 1.989 11.801 10.771 1.00 0.00 C ATOM 950 CD GLU A 59 0.664 12.527 10.467 1.00 0.00 C ATOM 951 OE1 GLU A 59 0.117 13.210 11.367 1.00 0.00 O ATOM 952 OE2 GLU A 59 0.154 12.421 9.324 1.00 0.00 O ATOM 0 H GLU A 59 4.130 10.700 9.514 1.00 0.00 H new ATOM 0 HA GLU A 59 5.281 12.941 10.807 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.006 13.612 11.251 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.215 13.088 9.592 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.105 10.953 10.095 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.962 11.400 11.784 1.00 0.00 H new ATOM 959 N LEU A 60 4.584 10.528 12.852 1.00 0.00 N ATOM 960 CA LEU A 60 4.945 10.049 14.180 1.00 0.00 C ATOM 961 C LEU A 60 6.457 9.998 14.472 1.00 0.00 C ATOM 962 O LEU A 60 6.813 10.176 15.638 1.00 0.00 O ATOM 963 CB LEU A 60 4.302 8.679 14.425 1.00 0.00 C ATOM 964 CG LEU A 60 2.997 8.705 15.235 1.00 0.00 C ATOM 965 CD1 LEU A 60 3.072 9.503 16.540 1.00 0.00 C ATOM 966 CD2 LEU A 60 1.810 9.219 14.422 1.00 0.00 C ATOM 0 H LEU A 60 4.229 9.797 12.236 1.00 0.00 H new ATOM 0 HA LEU A 60 4.555 10.791 14.877 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.103 8.211 13.461 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.021 8.046 14.945 1.00 0.00 H new ATOM 0 HG LEU A 60 2.845 7.657 15.493 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.107 9.466 17.045 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.836 9.072 17.187 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.327 10.539 16.319 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.915 9.216 15.044 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.013 10.235 14.084 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.654 8.573 13.558 1.00 0.00 H new ATOM 978 N VAL A 61 7.352 9.821 13.483 1.00 0.00 N ATOM 979 CA VAL A 61 8.809 10.004 13.700 1.00 0.00 C ATOM 980 C VAL A 61 9.103 11.411 14.239 1.00 0.00 C ATOM 981 O VAL A 61 9.952 11.586 15.119 1.00 0.00 O ATOM 982 CB VAL A 61 9.646 9.707 12.436 1.00 0.00 C ATOM 983 CG1 VAL A 61 11.146 9.963 12.641 1.00 0.00 C ATOM 984 CG2 VAL A 61 9.495 8.248 11.992 1.00 0.00 C ATOM 0 H VAL A 61 7.100 9.554 12.531 1.00 0.00 H new ATOM 0 HA VAL A 61 9.112 9.271 14.448 1.00 0.00 H new ATOM 0 HB VAL A 61 9.260 10.387 11.677 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.683 9.737 11.720 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.304 11.008 12.906 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.518 9.325 13.443 1.00 0.00 H new ATOM 0 HG21 VAL A 61 10.097 8.075 11.100 1.00 0.00 H new ATOM 0 HG22 VAL A 61 9.832 7.588 12.791 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.448 8.042 11.768 1.00 0.00 H new ATOM 994 N LYS A 62 8.347 12.416 13.774 1.00 0.00 N ATOM 995 CA LYS A 62 8.366 13.760 14.383 1.00 0.00 C ATOM 996 C LYS A 62 7.883 13.753 15.827 1.00 0.00 C ATOM 997 O LYS A 62 8.567 14.308 16.685 1.00 0.00 O ATOM 998 CB LYS A 62 7.547 14.800 13.608 1.00 0.00 C ATOM 999 CG LYS A 62 7.732 14.695 12.098 1.00 0.00 C ATOM 1000 CD LYS A 62 7.209 15.941 11.376 1.00 0.00 C ATOM 1001 CE LYS A 62 5.713 16.197 11.614 1.00 0.00 C ATOM 1002 NZ LYS A 62 5.246 17.409 10.889 1.00 0.00 N ATOM 0 H LYS A 62 7.714 12.327 12.979 1.00 0.00 H new ATOM 0 HA LYS A 62 9.416 14.049 14.346 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.491 14.677 13.849 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.834 15.799 13.936 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.789 14.558 11.869 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.209 13.813 11.728 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.777 16.810 11.708 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.387 15.834 10.306 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.138 15.331 11.286 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.528 16.316 12.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.232 17.553 11.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.779 18.239 11.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.400 17.284 9.868 1.00 0.00 H new ATOM 1016 N GLU A 63 6.704 13.186 16.106 1.00 0.00 N ATOM 1017 CA GLU A 63 6.076 13.361 17.411 1.00 0.00 C ATOM 1018 C GLU A 63 6.848 12.628 18.505 1.00 0.00 C ATOM 1019 O GLU A 63 6.948 13.147 19.613 1.00 0.00 O ATOM 1020 CB GLU A 63 4.613 12.913 17.372 1.00 0.00 C ATOM 1021 CG GLU A 63 3.737 13.891 16.584 1.00 0.00 C ATOM 1022 CD GLU A 63 2.235 13.634 16.818 1.00 0.00 C ATOM 1023 OE1 GLU A 63 1.713 14.021 17.893 1.00 0.00 O ATOM 1024 OE2 GLU A 63 1.558 13.074 15.923 1.00 0.00 O ATOM 0 H GLU A 63 6.175 12.610 15.452 1.00 0.00 H new ATOM 0 HA GLU A 63 6.099 14.424 17.653 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.548 11.923 16.920 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.233 12.825 18.390 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.980 14.913 16.876 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.959 13.802 15.521 1.00 0.00 H new ATOM 1031 N GLU A 64 7.443 11.467 18.204 1.00 0.00 N ATOM 1032 CA GLU A 64 8.262 10.738 19.171 1.00 0.00 C ATOM 1033 C GLU A 64 9.495 11.529 19.613 1.00 0.00 C ATOM 1034 O GLU A 64 9.688 11.688 20.814 1.00 0.00 O ATOM 1035 CB GLU A 64 8.575 9.321 18.676 1.00 0.00 C ATOM 1036 CG GLU A 64 9.600 9.173 17.547 1.00 0.00 C ATOM 1037 CD GLU A 64 9.793 7.695 17.166 1.00 0.00 C ATOM 1038 OE1 GLU A 64 10.187 6.906 18.057 1.00 0.00 O ATOM 1039 OE2 GLU A 64 9.602 7.320 15.987 1.00 0.00 O ATOM 0 H GLU A 64 7.370 11.014 17.293 1.00 0.00 H new ATOM 0 HA GLU A 64 7.674 10.618 20.081 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.927 8.738 19.527 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.641 8.868 18.343 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.269 9.737 16.675 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.554 9.599 17.859 1.00 0.00 H new ATOM 1046 N ALA A 65 10.310 12.072 18.702 1.00 0.00 N ATOM 1047 CA ALA A 65 11.558 12.746 19.093 1.00 0.00 C ATOM 1048 C ALA A 65 11.313 13.958 20.018 1.00 0.00 C ATOM 1049 O ALA A 65 12.007 14.150 21.020 1.00 0.00 O ATOM 1050 CB ALA A 65 12.302 13.130 17.821 1.00 0.00 C ATOM 0 H ALA A 65 10.133 12.060 17.698 1.00 0.00 H new ATOM 0 HA ALA A 65 12.169 12.064 19.685 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.233 13.633 18.082 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.523 12.232 17.244 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.682 13.800 17.225 1.00 0.00 H new ATOM 1056 N LYS A 66 10.269 14.729 19.701 1.00 0.00 N ATOM 1057 CA LYS A 66 9.676 15.798 20.532 1.00 0.00 C ATOM 1058 C LYS A 66 9.281 15.364 21.957 1.00 0.00 C ATOM 1059 O LYS A 66 9.345 16.176 22.878 1.00 0.00 O ATOM 1060 CB LYS A 66 8.421 16.349 19.821 1.00 0.00 C ATOM 1061 CG LYS A 66 8.624 17.507 18.842 1.00 0.00 C ATOM 1062 CD LYS A 66 9.702 17.295 17.780 1.00 0.00 C ATOM 1063 CE LYS A 66 9.355 18.058 16.497 1.00 0.00 C ATOM 1064 NZ LYS A 66 10.410 17.865 15.478 1.00 0.00 N ATOM 0 H LYS A 66 9.783 14.624 18.810 1.00 0.00 H new ATOM 0 HA LYS A 66 10.454 16.553 20.646 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.951 15.528 19.280 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.714 16.673 20.585 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.677 17.703 18.338 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.873 18.402 19.413 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.666 17.633 18.161 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.800 16.232 17.562 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.398 17.711 16.108 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.244 19.120 16.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.027 18.085 14.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.210 18.497 15.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.735 16.877 15.498 1.00 0.00 H new ATOM 1078 N GLU A 67 8.801 14.131 22.133 1.00 0.00 N ATOM 1079 CA GLU A 67 7.895 13.716 23.206 1.00 0.00 C ATOM 1080 C GLU A 67 7.988 14.048 24.687 1.00 0.00 C ATOM 1081 O GLU A 67 6.979 14.475 25.272 1.00 0.00 O ATOM 1082 CB GLU A 67 7.324 12.323 22.876 1.00 0.00 C ATOM 1083 CG GLU A 67 6.174 11.870 23.748 1.00 0.00 C ATOM 1084 CD GLU A 67 6.551 11.372 25.153 1.00 0.00 C ATOM 1085 OE1 GLU A 67 7.759 11.203 25.424 1.00 0.00 O ATOM 1086 OE2 GLU A 67 5.633 11.124 25.972 1.00 0.00 O ATOM 0 H GLU A 67 9.043 13.363 21.506 1.00 0.00 H new ATOM 0 HA GLU A 67 7.231 14.579 23.148 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.993 12.321 21.838 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.128 11.591 22.955 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.475 12.700 23.853 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.644 11.070 23.230 1.00 0.00 H new ATOM 1093 N PRO A 68 9.141 13.952 25.303 1.00 0.00 N ATOM 1094 CA PRO A 68 10.390 13.520 24.748 1.00 0.00 C ATOM 1095 C PRO A 68 10.717 12.052 24.795 1.00 0.00 C ATOM 1096 O PRO A 68 11.219 11.475 25.764 1.00 0.00 O ATOM 1097 CB PRO A 68 11.352 14.385 25.458 1.00 0.00 C ATOM 1098 CG PRO A 68 10.772 14.270 26.854 1.00 0.00 C ATOM 1099 CD PRO A 68 9.344 14.617 26.546 1.00 0.00 C ATOM 0 HA PRO A 68 10.393 13.626 23.663 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.377 14.019 25.394 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.356 15.409 25.085 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.881 13.270 27.274 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.231 14.963 27.559 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.661 14.259 27.317 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.194 15.693 26.462 1.00 0.00 H new ATOM 1107 N ARG A 69 10.522 11.498 23.609 1.00 0.00 N ATOM 1108 CA ARG A 69 10.900 10.188 23.205 1.00 0.00 C ATOM 1109 C ARG A 69 10.766 9.118 24.288 1.00 0.00 C ATOM 1110 O ARG A 69 11.632 8.260 24.468 1.00 0.00 O ATOM 1111 CB ARG A 69 12.248 10.351 22.487 1.00 0.00 C ATOM 1112 CG ARG A 69 12.232 9.586 21.183 1.00 0.00 C ATOM 1113 CD ARG A 69 11.920 8.127 21.472 1.00 0.00 C ATOM 1114 NE ARG A 69 11.888 7.306 20.257 1.00 0.00 N ATOM 1115 CZ ARG A 69 12.836 6.510 19.794 1.00 0.00 C ATOM 1116 NH1 ARG A 69 13.994 6.367 20.375 1.00 0.00 N ATOM 1117 NH2 ARG A 69 12.614 5.847 18.701 1.00 0.00 N ATOM 0 H ARG A 69 10.057 12.008 22.858 1.00 0.00 H new ATOM 0 HA ARG A 69 10.196 9.748 22.499 1.00 0.00 H new ATOM 0 HB2 ARG A 69 12.444 11.406 22.297 1.00 0.00 H new ATOM 0 HB3 ARG A 69 13.055 9.987 23.123 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.485 10.005 20.509 1.00 0.00 H new ATOM 0 HG3 ARG A 69 13.197 9.673 20.683 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.669 7.728 22.156 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.957 8.058 21.978 1.00 0.00 H new ATOM 0 HE ARG A 69 11.033 7.355 19.704 1.00 0.00 H new ATOM 0 HH11 ARG A 69 14.203 6.883 21.229 1.00 0.00 H new ATOM 0 HH12 ARG A 69 14.691 5.739 19.975 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.722 5.946 18.217 1.00 0.00 H new ATOM 0 HH22 ARG A 69 13.332 5.227 18.326 1.00 0.00 H new ATOM 1131 N ASN A 70 9.609 9.138 24.944 1.00 0.00 N ATOM 1132 CA ASN A 70 9.144 8.033 25.762 1.00 0.00 C ATOM 1133 C ASN A 70 8.601 6.871 24.927 1.00 0.00 C ATOM 1134 O ASN A 70 8.434 5.765 25.438 1.00 0.00 O ATOM 1135 CB ASN A 70 8.105 8.513 26.790 1.00 0.00 C ATOM 1136 CG ASN A 70 7.674 7.429 27.767 1.00 0.00 C ATOM 1137 OD1 ASN A 70 8.478 6.807 28.449 1.00 0.00 O ATOM 1138 ND2 ASN A 70 6.388 7.167 27.845 1.00 0.00 N ATOM 0 H ASN A 70 8.966 9.930 24.920 1.00 0.00 H new ATOM 0 HA ASN A 70 10.011 7.649 26.300 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.519 9.352 27.349 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.227 8.885 26.261 1.00 0.00 H new ATOM 0 HD21 ASN A 70 6.053 6.440 28.478 1.00 0.00 H new ATOM 0 HD22 ASN A 70 5.725 7.690 27.273 1.00 0.00 H new ATOM 1145 N GLU A 71 8.345 7.116 23.638 1.00 0.00 N ATOM 1146 CA GLU A 71 8.189 6.108 22.598 1.00 0.00 C ATOM 1147 C GLU A 71 6.845 5.355 22.638 1.00 0.00 C ATOM 1148 O GLU A 71 6.367 4.893 21.608 1.00 0.00 O ATOM 1149 CB GLU A 71 9.442 5.217 22.621 1.00 0.00 C ATOM 1150 CG GLU A 71 9.640 4.561 21.265 1.00 0.00 C ATOM 1151 CD GLU A 71 10.684 3.430 21.263 1.00 0.00 C ATOM 1152 OE1 GLU A 71 11.811 3.615 21.782 1.00 0.00 O ATOM 1153 OE2 GLU A 71 10.374 2.345 20.712 1.00 0.00 O ATOM 0 H GLU A 71 8.237 8.065 23.281 1.00 0.00 H new ATOM 0 HA GLU A 71 8.125 6.593 21.624 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.318 5.814 22.876 1.00 0.00 H new ATOM 0 HB3 GLU A 71 9.341 4.453 23.392 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.685 4.161 20.924 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.942 5.322 20.545 1.00 0.00 H new ATOM 1160 N GLU A 72 6.142 5.329 23.771 1.00 0.00 N ATOM 1161 CA GLU A 72 4.792 4.778 23.885 1.00 0.00 C ATOM 1162 C GLU A 72 3.804 5.460 22.924 1.00 0.00 C ATOM 1163 O GLU A 72 2.865 4.820 22.452 1.00 0.00 O ATOM 1164 CB GLU A 72 4.314 4.902 25.340 1.00 0.00 C ATOM 1165 CG GLU A 72 5.024 3.899 26.260 1.00 0.00 C ATOM 1166 CD GLU A 72 4.517 4.008 27.712 1.00 0.00 C ATOM 1167 OE1 GLU A 72 3.491 3.367 28.050 1.00 0.00 O ATOM 1168 OE2 GLU A 72 5.143 4.727 28.529 1.00 0.00 O ATOM 0 H GLU A 72 6.502 5.697 24.651 1.00 0.00 H new ATOM 0 HA GLU A 72 4.828 3.726 23.600 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.496 5.915 25.697 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.237 4.737 25.384 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.860 2.886 25.891 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.099 4.078 26.234 1.00 0.00 H new ATOM 1175 N LYS A 73 4.005 6.750 22.605 1.00 0.00 N ATOM 1176 CA LYS A 73 3.024 7.527 21.826 1.00 0.00 C ATOM 1177 C LYS A 73 3.066 7.312 20.307 1.00 0.00 C ATOM 1178 O LYS A 73 2.012 7.261 19.677 1.00 0.00 O ATOM 1179 CB LYS A 73 3.049 9.017 22.195 1.00 0.00 C ATOM 1180 CG LYS A 73 3.162 9.376 23.688 1.00 0.00 C ATOM 1181 CD LYS A 73 2.310 8.605 24.709 1.00 0.00 C ATOM 1182 CE LYS A 73 0.869 8.279 24.304 1.00 0.00 C ATOM 1183 NZ LYS A 73 0.033 9.479 24.046 1.00 0.00 N ATOM 0 H LYS A 73 4.836 7.276 22.874 1.00 0.00 H new ATOM 0 HA LYS A 73 2.061 7.115 22.126 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.887 9.479 21.673 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.140 9.475 21.806 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.207 9.258 23.976 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.920 10.434 23.791 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.819 7.668 24.937 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.280 9.184 25.632 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.885 7.659 23.408 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.405 7.687 25.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.807 9.206 23.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.266 9.895 24.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.585 10.178 23.510 1.00 0.00 H new ATOM 1197 N VAL A 74 4.243 7.089 19.712 1.00 0.00 N ATOM 1198 CA VAL A 74 4.333 6.543 18.335 1.00 0.00 C ATOM 1199 C VAL A 74 3.655 5.156 18.260 1.00 0.00 C ATOM 1200 O VAL A 74 3.035 4.818 17.257 1.00 0.00 O ATOM 1201 CB VAL A 74 5.755 6.554 17.746 1.00 0.00 C ATOM 1202 CG1 VAL A 74 6.777 6.053 18.746 1.00 0.00 C ATOM 1203 CG2 VAL A 74 5.891 5.745 16.449 1.00 0.00 C ATOM 0 H VAL A 74 5.145 7.273 20.151 1.00 0.00 H new ATOM 0 HA VAL A 74 3.780 7.224 17.688 1.00 0.00 H new ATOM 0 HB VAL A 74 5.949 7.600 17.507 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.769 6.075 18.295 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.766 6.692 19.629 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.533 5.031 19.035 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.920 5.799 16.093 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.627 4.705 16.640 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.223 6.156 15.692 1.00 0.00 H new ATOM 1213 N LYS A 75 3.707 4.345 19.329 1.00 0.00 N ATOM 1214 CA LYS A 75 3.157 2.967 19.366 1.00 0.00 C ATOM 1215 C LYS A 75 1.677 2.854 19.691 1.00 0.00 C ATOM 1216 O LYS A 75 1.006 1.982 19.138 1.00 0.00 O ATOM 1217 CB LYS A 75 4.023 2.089 20.274 1.00 0.00 C ATOM 1218 CG LYS A 75 5.496 2.071 19.826 1.00 0.00 C ATOM 1219 CD LYS A 75 5.725 1.876 18.312 1.00 0.00 C ATOM 1220 CE LYS A 75 7.116 2.335 17.882 1.00 0.00 C ATOM 1221 NZ LYS A 75 8.222 1.684 18.638 1.00 0.00 N ATOM 0 H LYS A 75 4.138 4.627 20.210 1.00 0.00 H new ATOM 0 HA LYS A 75 3.207 2.599 18.341 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.960 2.455 21.299 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.632 1.072 20.274 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.962 3.009 20.129 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.011 1.272 20.360 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.595 0.824 18.058 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.971 2.433 17.756 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.244 2.130 16.819 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.188 3.415 18.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.917 1.294 17.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.685 2.386 19.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.837 0.916 19.224 1.00 0.00 H new ATOM 1235 N GLN A 76 1.133 3.818 20.423 1.00 0.00 N ATOM 1236 CA GLN A 76 -0.286 4.151 20.344 1.00 0.00 C ATOM 1237 C GLN A 76 -0.719 4.378 18.888 1.00 0.00 C ATOM 1238 O GLN A 76 -1.782 3.893 18.489 1.00 0.00 O ATOM 1239 CB GLN A 76 -0.566 5.378 21.228 1.00 0.00 C ATOM 1240 CG GLN A 76 -2.007 5.882 21.061 1.00 0.00 C ATOM 1241 CD GLN A 76 -2.455 6.808 22.193 1.00 0.00 C ATOM 1242 OE1 GLN A 76 -1.759 7.728 22.606 1.00 0.00 O ATOM 1243 NE2 GLN A 76 -3.632 6.608 22.748 1.00 0.00 N ATOM 0 H GLN A 76 1.658 4.389 21.085 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.878 3.315 20.716 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.389 5.122 22.273 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.131 6.177 20.973 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.093 6.411 20.112 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.681 5.027 21.011 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.228 5.848 22.420 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.948 7.213 23.506 1.00 0.00 H new ATOM 1252 N ALA A 77 0.106 5.049 18.069 1.00 0.00 N ATOM 1253 CA ALA A 77 -0.314 5.288 16.686 1.00 0.00 C ATOM 1254 C ALA A 77 -0.182 3.996 15.878 1.00 0.00 C ATOM 1255 O ALA A 77 -1.063 3.666 15.087 1.00 0.00 O ATOM 1256 CB ALA A 77 0.483 6.426 16.062 1.00 0.00 C ATOM 0 H ALA A 77 1.022 5.418 18.325 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.361 5.592 16.679 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.151 6.582 15.036 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.326 7.338 16.637 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.543 6.173 16.066 1.00 0.00 H new ATOM 1262 N LYS A 78 0.887 3.229 16.132 1.00 0.00 N ATOM 1263 CA LYS A 78 1.152 1.941 15.484 1.00 0.00 C ATOM 1264 C LYS A 78 0.009 0.948 15.674 1.00 0.00 C ATOM 1265 O LYS A 78 -0.363 0.288 14.715 1.00 0.00 O ATOM 1266 CB LYS A 78 2.497 1.348 15.919 1.00 0.00 C ATOM 1267 CG LYS A 78 3.059 0.464 14.790 1.00 0.00 C ATOM 1268 CD LYS A 78 3.609 -0.885 15.270 1.00 0.00 C ATOM 1269 CE LYS A 78 2.436 -1.841 15.528 1.00 0.00 C ATOM 1270 NZ LYS A 78 2.880 -3.242 15.735 1.00 0.00 N ATOM 0 H LYS A 78 1.605 3.493 16.807 1.00 0.00 H new ATOM 0 HA LYS A 78 1.218 2.141 14.415 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.200 2.147 16.153 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.370 0.759 16.827 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.272 0.284 14.057 1.00 0.00 H new ATOM 0 HG3 LYS A 78 3.853 1.007 14.278 1.00 0.00 H new ATOM 0 HD2 LYS A 78 4.280 -1.306 14.521 1.00 0.00 H new ATOM 0 HD3 LYS A 78 4.192 -0.751 16.181 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.884 -1.505 16.406 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.747 -1.802 14.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.193 -3.891 15.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.812 -3.379 15.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.946 -3.438 16.754 1.00 0.00 H new ATOM 1284 N ALA A 79 -0.584 0.872 16.865 1.00 0.00 N ATOM 1285 CA ALA A 79 -1.780 0.064 17.113 1.00 0.00 C ATOM 1286 C ALA A 79 -2.962 0.441 16.193 1.00 0.00 C ATOM 1287 O ALA A 79 -3.656 -0.433 15.664 1.00 0.00 O ATOM 1288 CB ALA A 79 -2.151 0.188 18.596 1.00 0.00 C ATOM 0 H ALA A 79 -0.248 1.371 17.689 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.554 -0.975 16.874 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.041 -0.408 18.800 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.325 -0.172 19.209 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.351 1.232 18.835 1.00 0.00 H new ATOM 1294 N GLU A 80 -3.175 1.740 15.964 1.00 0.00 N ATOM 1295 CA GLU A 80 -4.247 2.225 15.082 1.00 0.00 C ATOM 1296 C GLU A 80 -3.919 1.956 13.611 1.00 0.00 C ATOM 1297 O GLU A 80 -4.754 1.432 12.871 1.00 0.00 O ATOM 1298 CB GLU A 80 -4.514 3.723 15.300 1.00 0.00 C ATOM 1299 CG GLU A 80 -5.010 4.008 16.721 1.00 0.00 C ATOM 1300 CD GLU A 80 -5.371 5.496 16.895 1.00 0.00 C ATOM 1301 OE1 GLU A 80 -4.470 6.322 17.184 1.00 0.00 O ATOM 1302 OE2 GLU A 80 -6.566 5.853 16.749 1.00 0.00 O ATOM 0 H GLU A 80 -2.614 2.483 16.381 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.151 1.674 15.340 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.600 4.287 15.113 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.255 4.069 14.579 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.883 3.391 16.935 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.240 3.731 17.441 1.00 0.00 H new ATOM 1309 N VAL A 81 -2.699 2.280 13.169 1.00 0.00 N ATOM 1310 CA VAL A 81 -2.312 2.122 11.770 1.00 0.00 C ATOM 1311 C VAL A 81 -2.026 0.664 11.383 1.00 0.00 C ATOM 1312 O VAL A 81 -2.144 0.308 10.215 1.00 0.00 O ATOM 1313 CB VAL A 81 -1.187 3.087 11.381 1.00 0.00 C ATOM 1314 CG1 VAL A 81 -1.565 4.551 11.635 1.00 0.00 C ATOM 1315 CG2 VAL A 81 0.185 2.818 11.994 1.00 0.00 C ATOM 0 H VAL A 81 -1.962 2.655 13.766 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.179 2.402 11.172 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.080 2.893 10.314 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.736 5.196 11.344 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.447 4.806 11.048 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.781 4.693 12.694 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.894 3.568 11.642 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.114 2.867 13.081 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.528 1.827 11.697 1.00 0.00 H new ATOM 1325 N GLU A 82 -1.754 -0.218 12.349 1.00 0.00 N ATOM 1326 CA GLU A 82 -1.769 -1.677 12.163 1.00 0.00 C ATOM 1327 C GLU A 82 -3.176 -2.174 11.793 1.00 0.00 C ATOM 1328 O GLU A 82 -3.313 -3.020 10.910 1.00 0.00 O ATOM 1329 CB GLU A 82 -1.247 -2.380 13.431 1.00 0.00 C ATOM 1330 CG GLU A 82 -1.169 -3.908 13.311 1.00 0.00 C ATOM 1331 CD GLU A 82 -0.658 -4.541 14.620 1.00 0.00 C ATOM 1332 OE1 GLU A 82 0.571 -4.508 14.876 1.00 0.00 O ATOM 1333 OE2 GLU A 82 -1.477 -5.080 15.403 1.00 0.00 O ATOM 0 H GLU A 82 -1.513 0.064 13.299 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.107 -1.926 11.334 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.255 -1.993 13.666 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.896 -2.124 14.269 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.154 -4.308 13.070 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.506 -4.178 12.489 1.00 0.00 H new ATOM 1340 N SER A 83 -4.230 -1.622 12.409 1.00 0.00 N ATOM 1341 CA SER A 83 -5.620 -1.958 12.056 1.00 0.00 C ATOM 1342 C SER A 83 -5.948 -1.502 10.628 1.00 0.00 C ATOM 1343 O SER A 83 -6.525 -2.261 9.848 1.00 0.00 O ATOM 1344 CB SER A 83 -6.620 -1.356 13.053 1.00 0.00 C ATOM 1345 OG SER A 83 -6.386 -1.839 14.369 1.00 0.00 O ATOM 0 H SER A 83 -4.147 -0.936 13.159 1.00 0.00 H new ATOM 0 HA SER A 83 -5.713 -3.043 12.105 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.539 -0.269 13.042 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.637 -1.603 12.747 1.00 0.00 H new ATOM 0 HG SER A 83 -5.580 -1.417 14.734 1.00 0.00 H new ATOM 1351 N LYS A 84 -5.509 -0.293 10.249 1.00 0.00 N ATOM 1352 CA LYS A 84 -5.595 0.235 8.874 1.00 0.00 C ATOM 1353 C LYS A 84 -4.822 -0.620 7.858 1.00 0.00 C ATOM 1354 O LYS A 84 -5.338 -0.909 6.778 1.00 0.00 O ATOM 1355 CB LYS A 84 -5.111 1.692 8.847 1.00 0.00 C ATOM 1356 CG LYS A 84 -6.021 2.628 9.657 1.00 0.00 C ATOM 1357 CD LYS A 84 -5.513 4.076 9.607 1.00 0.00 C ATOM 1358 CE LYS A 84 -6.282 4.988 10.575 1.00 0.00 C ATOM 1359 NZ LYS A 84 -7.692 5.207 10.153 1.00 0.00 N ATOM 0 H LYS A 84 -5.075 0.361 10.901 1.00 0.00 H new ATOM 0 HA LYS A 84 -6.641 0.194 8.572 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.097 1.742 9.244 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.066 2.038 7.814 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.037 2.582 9.264 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.065 2.291 10.693 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.452 4.097 9.855 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.611 4.460 8.592 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.269 4.548 11.572 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.773 5.950 10.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.167 5.828 10.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.708 5.652 9.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.188 4.294 10.112 1.00 0.00 H new ATOM 1373 N LYS A 85 -3.613 -1.077 8.201 1.00 0.00 N ATOM 1374 CA LYS A 85 -2.808 -2.002 7.380 1.00 0.00 C ATOM 1375 C LYS A 85 -3.477 -3.368 7.207 1.00 0.00 C ATOM 1376 O LYS A 85 -3.497 -3.898 6.099 1.00 0.00 O ATOM 1377 CB LYS A 85 -1.397 -2.139 7.974 1.00 0.00 C ATOM 1378 CG LYS A 85 -0.503 -2.998 7.066 1.00 0.00 C ATOM 1379 CD LYS A 85 0.992 -2.881 7.395 1.00 0.00 C ATOM 1380 CE LYS A 85 1.319 -3.414 8.797 1.00 0.00 C ATOM 1381 NZ LYS A 85 2.782 -3.391 9.061 1.00 0.00 N ATOM 0 H LYS A 85 -3.154 -0.812 9.072 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.730 -1.575 6.380 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.953 -1.151 8.100 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.457 -2.590 8.965 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.806 -4.041 7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.663 -2.705 6.028 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.570 -3.433 6.654 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.298 -1.837 7.324 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.804 -2.812 9.546 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.946 -4.434 8.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.968 -3.757 10.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.270 -3.985 8.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.132 -2.414 8.991 1.00 0.00 H new ATOM 1395 N ALA A 86 -4.061 -3.918 8.270 1.00 0.00 N ATOM 1396 CA ALA A 86 -4.833 -5.160 8.212 1.00 0.00 C ATOM 1397 C ALA A 86 -6.049 -5.013 7.280 1.00 0.00 C ATOM 1398 O ALA A 86 -6.357 -5.919 6.511 1.00 0.00 O ATOM 1399 CB ALA A 86 -5.239 -5.568 9.634 1.00 0.00 C ATOM 0 H ALA A 86 -4.012 -3.511 9.204 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.216 -5.953 7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.815 -6.493 9.597 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.345 -5.721 10.238 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.847 -4.780 10.079 1.00 0.00 H new ATOM 1405 N GLU A 87 -6.696 -3.845 7.293 1.00 0.00 N ATOM 1406 CA GLU A 87 -7.753 -3.455 6.352 1.00 0.00 C ATOM 1407 C GLU A 87 -7.252 -3.383 4.894 1.00 0.00 C ATOM 1408 O GLU A 87 -7.879 -3.969 4.013 1.00 0.00 O ATOM 1409 CB GLU A 87 -8.418 -2.161 6.865 1.00 0.00 C ATOM 1410 CG GLU A 87 -8.858 -1.162 5.793 1.00 0.00 C ATOM 1411 CD GLU A 87 -9.688 -0.022 6.413 1.00 0.00 C ATOM 1412 OE1 GLU A 87 -9.101 0.988 6.873 1.00 0.00 O ATOM 1413 OE2 GLU A 87 -10.939 -0.127 6.444 1.00 0.00 O ATOM 0 H GLU A 87 -6.493 -3.120 7.981 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.519 -4.229 6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.291 -2.435 7.458 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.721 -1.660 7.536 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.982 -0.749 5.293 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.447 -1.674 5.032 1.00 0.00 H new ATOM 1420 N ALA A 88 -6.106 -2.747 4.624 1.00 0.00 N ATOM 1421 CA ALA A 88 -5.458 -2.764 3.304 1.00 0.00 C ATOM 1422 C ALA A 88 -5.169 -4.193 2.826 1.00 0.00 C ATOM 1423 O ALA A 88 -5.475 -4.571 1.698 1.00 0.00 O ATOM 1424 CB ALA A 88 -4.163 -1.942 3.381 1.00 0.00 C ATOM 0 H ALA A 88 -5.597 -2.201 5.320 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.136 -2.323 2.574 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.671 -1.946 2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.399 -0.916 3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.498 -2.380 4.125 1.00 0.00 H new ATOM 1430 N THR A 89 -4.623 -5.016 3.713 1.00 0.00 N ATOM 1431 CA THR A 89 -4.341 -6.436 3.453 1.00 0.00 C ATOM 1432 C THR A 89 -5.621 -7.279 3.292 1.00 0.00 C ATOM 1433 O THR A 89 -5.626 -8.258 2.546 1.00 0.00 O ATOM 1434 CB THR A 89 -3.382 -6.954 4.534 1.00 0.00 C ATOM 1435 OG1 THR A 89 -2.187 -6.187 4.469 1.00 0.00 O ATOM 1436 CG2 THR A 89 -2.977 -8.417 4.353 1.00 0.00 C ATOM 0 H THR A 89 -4.357 -4.717 4.651 1.00 0.00 H new ATOM 0 HA THR A 89 -3.846 -6.537 2.487 1.00 0.00 H new ATOM 0 HB THR A 89 -3.908 -6.866 5.484 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.318 -5.337 4.939 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.299 -8.709 5.155 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.866 -9.047 4.382 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.477 -8.540 3.392 1.00 0.00 H new ATOM 1444 N ARG A 90 -6.756 -6.875 3.878 1.00 0.00 N ATOM 1445 CA ARG A 90 -8.085 -7.455 3.598 1.00 0.00 C ATOM 1446 C ARG A 90 -8.591 -7.159 2.183 1.00 0.00 C ATOM 1447 O ARG A 90 -9.303 -7.982 1.619 1.00 0.00 O ATOM 1448 CB ARG A 90 -9.098 -7.004 4.662 1.00 0.00 C ATOM 1449 CG ARG A 90 -10.375 -7.857 4.625 1.00 0.00 C ATOM 1450 CD ARG A 90 -11.307 -7.566 5.810 1.00 0.00 C ATOM 1451 NE ARG A 90 -10.725 -7.991 7.100 1.00 0.00 N ATOM 1452 CZ ARG A 90 -11.215 -7.751 8.304 1.00 0.00 C ATOM 1453 NH1 ARG A 90 -12.322 -7.088 8.485 1.00 0.00 N ATOM 1454 NH2 ARG A 90 -10.593 -8.180 9.366 1.00 0.00 N ATOM 0 H ARG A 90 -6.782 -6.126 4.570 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.975 -8.538 3.650 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.643 -7.072 5.650 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.354 -5.957 4.500 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.907 -7.669 3.693 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.104 -8.913 4.630 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.523 -6.498 5.846 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.257 -8.078 5.656 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.856 -8.524 7.057 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.842 -6.734 7.682 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -12.669 -6.923 9.430 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.723 -8.704 9.271 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.976 -7.992 10.292 1.00 0.00 H new ATOM 1468 N LEU A 91 -8.192 -6.052 1.558 1.00 0.00 N ATOM 1469 CA LEU A 91 -8.481 -5.811 0.137 1.00 0.00 C ATOM 1470 C LEU A 91 -7.691 -6.776 -0.750 1.00 0.00 C ATOM 1471 O LEU A 91 -8.162 -7.195 -1.805 1.00 0.00 O ATOM 1472 CB LEU A 91 -8.086 -4.400 -0.267 1.00 0.00 C ATOM 1473 CG LEU A 91 -8.559 -3.244 0.589 1.00 0.00 C ATOM 1474 CD1 LEU A 91 -7.951 -1.983 0.037 1.00 0.00 C ATOM 1475 CD2 LEU A 91 -10.073 -3.119 0.596 1.00 0.00 C ATOM 0 H LEU A 91 -7.667 -5.304 2.011 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.553 -5.958 0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.997 -4.359 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.449 -4.232 -1.281 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.248 -3.418 1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.275 -1.131 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.864 -2.058 0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.273 -1.845 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.366 -2.277 1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.429 -2.956 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.512 -4.035 0.991 1.00 0.00 H new ATOM 1487 N GLU A 92 -6.493 -7.157 -0.300 1.00 0.00 N ATOM 1488 CA GLU A 92 -5.694 -8.217 -0.931 1.00 0.00 C ATOM 1489 C GLU A 92 -6.480 -9.535 -1.005 1.00 0.00 C ATOM 1490 O GLU A 92 -6.396 -10.272 -1.992 1.00 0.00 O ATOM 1491 CB GLU A 92 -4.358 -8.400 -0.189 1.00 0.00 C ATOM 1492 CG GLU A 92 -3.193 -8.512 -1.167 1.00 0.00 C ATOM 1493 CD GLU A 92 -1.883 -8.878 -0.442 1.00 0.00 C ATOM 1494 OE1 GLU A 92 -1.620 -10.087 -0.232 1.00 0.00 O ATOM 1495 OE2 GLU A 92 -1.100 -7.963 -0.092 1.00 0.00 O ATOM 0 H GLU A 92 -6.046 -6.739 0.516 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.472 -7.914 -1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.193 -7.557 0.481 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.403 -9.296 0.431 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.418 -9.269 -1.918 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.067 -7.567 -1.695 1.00 0.00 H new ATOM 1502 N LYS A 93 -7.317 -9.790 0.011 1.00 0.00 N ATOM 1503 CA LYS A 93 -8.255 -10.921 0.023 1.00 0.00 C ATOM 1504 C LYS A 93 -9.392 -10.765 -0.998 1.00 0.00 C ATOM 1505 O LYS A 93 -9.885 -11.763 -1.511 1.00 0.00 O ATOM 1506 CB LYS A 93 -8.787 -11.186 1.441 1.00 0.00 C ATOM 1507 CG LYS A 93 -7.712 -11.349 2.533 1.00 0.00 C ATOM 1508 CD LYS A 93 -6.693 -12.462 2.235 1.00 0.00 C ATOM 1509 CE LYS A 93 -5.644 -12.608 3.348 1.00 0.00 C ATOM 1510 NZ LYS A 93 -6.208 -13.196 4.593 1.00 0.00 N ATOM 0 H LYS A 93 -7.362 -9.214 0.852 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.692 -11.800 -0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.445 -10.364 1.723 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -9.397 -12.089 1.419 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.181 -10.405 2.652 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -8.201 -11.561 3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.219 -13.408 2.109 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.191 -12.248 1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.827 -13.236 2.992 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.220 -11.629 3.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.459 -13.273 5.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.970 -12.585 4.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.589 -14.142 4.388 1.00 0.00 H new ATOM 1524 N ILE A 94 -9.792 -9.537 -1.344 1.00 0.00 N ATOM 1525 CA ILE A 94 -10.809 -9.255 -2.383 1.00 0.00 C ATOM 1526 C ILE A 94 -10.318 -9.596 -3.782 1.00 0.00 C ATOM 1527 O ILE A 94 -10.964 -10.389 -4.466 1.00 0.00 O ATOM 1528 CB ILE A 94 -11.334 -7.810 -2.338 1.00 0.00 C ATOM 1529 CG1 ILE A 94 -11.847 -7.517 -0.920 1.00 0.00 C ATOM 1530 CG2 ILE A 94 -12.466 -7.616 -3.373 1.00 0.00 C ATOM 1531 CD1 ILE A 94 -12.271 -6.063 -0.754 1.00 0.00 C ATOM 0 H ILE A 94 -9.418 -8.694 -0.909 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.646 -9.912 -2.147 1.00 0.00 H new ATOM 0 HB ILE A 94 -10.529 -7.118 -2.587 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -12.692 -8.168 -0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -11.066 -7.752 -0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -12.827 -6.588 -3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -12.085 -7.824 -4.373 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -13.286 -8.299 -3.148 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -12.627 -5.902 0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.419 -5.411 -0.948 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -13.071 -5.835 -1.458 1.00 0.00 H new ATOM 1543 N LYS A 95 -9.182 -9.040 -4.223 1.00 0.00 N ATOM 1544 CA LYS A 95 -8.643 -9.361 -5.559 1.00 0.00 C ATOM 1545 C LYS A 95 -8.326 -10.846 -5.738 1.00 0.00 C ATOM 1546 O LYS A 95 -8.344 -11.343 -6.863 1.00 0.00 O ATOM 1547 CB LYS A 95 -7.442 -8.481 -5.927 1.00 0.00 C ATOM 1548 CG LYS A 95 -6.207 -8.623 -5.020 1.00 0.00 C ATOM 1549 CD LYS A 95 -4.949 -8.002 -5.651 1.00 0.00 C ATOM 1550 CE LYS A 95 -4.429 -8.877 -6.806 1.00 0.00 C ATOM 1551 NZ LYS A 95 -3.196 -8.328 -7.429 1.00 0.00 N ATOM 0 H LYS A 95 -8.623 -8.376 -3.687 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.444 -9.130 -6.261 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.146 -8.711 -6.951 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.761 -7.439 -5.914 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.405 -8.144 -4.061 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.027 -9.679 -4.817 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.177 -7.002 -6.020 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.173 -7.892 -4.894 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.227 -9.881 -6.434 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.205 -8.969 -7.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -2.625 -9.107 -7.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.456 -7.676 -8.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.643 -7.816 -6.712 1.00 0.00 H new ATOM 1565 N THR A 96 -8.075 -11.557 -4.638 1.00 0.00 N ATOM 1566 CA THR A 96 -7.843 -13.018 -4.692 1.00 0.00 C ATOM 1567 C THR A 96 -9.150 -13.816 -4.657 1.00 0.00 C ATOM 1568 O THR A 96 -9.282 -14.805 -5.380 1.00 0.00 O ATOM 1569 CB THR A 96 -6.854 -13.515 -3.627 1.00 0.00 C ATOM 1570 OG1 THR A 96 -7.150 -13.008 -2.352 1.00 0.00 O ATOM 1571 CG2 THR A 96 -5.421 -13.092 -3.953 1.00 0.00 C ATOM 0 H THR A 96 -8.025 -11.157 -3.701 1.00 0.00 H new ATOM 0 HA THR A 96 -7.373 -13.201 -5.658 1.00 0.00 H new ATOM 0 HB THR A 96 -6.947 -14.601 -3.629 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.865 -12.072 -2.298 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.748 -13.460 -3.179 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.129 -13.509 -4.917 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.364 -12.004 -3.996 1.00 0.00 H new ATOM 1579 N ASP A 97 -10.155 -13.361 -3.903 1.00 0.00 N ATOM 1580 CA ASP A 97 -11.504 -13.947 -3.893 1.00 0.00 C ATOM 1581 C ASP A 97 -12.196 -13.797 -5.257 1.00 0.00 C ATOM 1582 O ASP A 97 -12.761 -14.765 -5.765 1.00 0.00 O ATOM 1583 CB ASP A 97 -12.348 -13.320 -2.775 1.00 0.00 C ATOM 1584 CG ASP A 97 -13.755 -13.939 -2.708 1.00 0.00 C ATOM 1585 OD1 ASP A 97 -13.886 -15.090 -2.227 1.00 0.00 O ATOM 1586 OD2 ASP A 97 -14.733 -13.268 -3.115 1.00 0.00 O ATOM 0 H ASP A 97 -10.056 -12.565 -3.273 1.00 0.00 H new ATOM 0 HA ASP A 97 -11.406 -15.015 -3.697 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -11.844 -13.457 -1.818 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -12.431 -12.246 -2.940 1.00 0.00 H new ATOM 1591 N ARG A 98 -12.081 -12.618 -5.889 1.00 0.00 N ATOM 1592 CA ARG A 98 -12.521 -12.347 -7.271 1.00 0.00 C ATOM 1593 C ARG A 98 -11.994 -13.388 -8.259 1.00 0.00 C ATOM 1594 O ARG A 98 -12.789 -14.016 -8.959 1.00 0.00 O ATOM 1595 CB ARG A 98 -12.087 -10.929 -7.690 1.00 0.00 C ATOM 1596 CG ARG A 98 -13.026 -9.814 -7.192 1.00 0.00 C ATOM 1597 CD ARG A 98 -14.403 -9.804 -7.881 1.00 0.00 C ATOM 1598 NE ARG A 98 -14.293 -9.687 -9.351 1.00 0.00 N ATOM 1599 CZ ARG A 98 -14.475 -8.629 -10.117 1.00 0.00 C ATOM 1600 NH1 ARG A 98 -14.853 -7.469 -9.659 1.00 0.00 N ATOM 1601 NH2 ARG A 98 -14.262 -8.752 -11.392 1.00 0.00 N ATOM 0 H ARG A 98 -11.667 -11.801 -5.440 1.00 0.00 H new ATOM 0 HA ARG A 98 -13.609 -12.412 -7.293 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.083 -10.741 -7.311 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -12.031 -10.884 -8.778 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -13.169 -9.926 -6.117 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.544 -8.849 -7.350 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -14.939 -10.719 -7.631 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -14.994 -8.973 -7.496 1.00 0.00 H new ATOM 0 HE ARG A 98 -14.041 -10.545 -9.841 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -15.024 -7.346 -8.661 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -14.978 -6.684 -10.299 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -13.963 -9.649 -11.775 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -14.394 -7.952 -12.011 1.00 0.00 H new ATOM 1615 N LYS A 99 -10.675 -13.619 -8.287 1.00 0.00 N ATOM 1616 CA LYS A 99 -10.045 -14.635 -9.142 1.00 0.00 C ATOM 1617 C LYS A 99 -10.586 -16.044 -8.877 1.00 0.00 C ATOM 1618 O LYS A 99 -10.918 -16.747 -9.831 1.00 0.00 O ATOM 1619 CB LYS A 99 -8.516 -14.583 -8.995 1.00 0.00 C ATOM 1620 CG LYS A 99 -7.912 -13.371 -9.727 1.00 0.00 C ATOM 1621 CD LYS A 99 -6.377 -13.328 -9.657 1.00 0.00 C ATOM 1622 CE LYS A 99 -5.735 -14.508 -10.403 1.00 0.00 C ATOM 1623 NZ LYS A 99 -4.253 -14.432 -10.385 1.00 0.00 N ATOM 0 H LYS A 99 -10.009 -13.102 -7.712 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.304 -14.399 -10.174 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.254 -14.537 -7.938 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.081 -15.501 -9.391 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.222 -13.394 -10.772 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.315 -12.455 -9.295 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.020 -12.391 -10.085 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.061 -13.343 -8.614 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.056 -15.444 -9.947 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.086 -14.519 -11.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.855 -15.372 -10.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.931 -13.760 -11.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.933 -14.110 -9.449 1.00 0.00 H new ATOM 1637 N LYS A 100 -10.720 -16.454 -7.609 1.00 0.00 N ATOM 1638 CA LYS A 100 -11.283 -17.769 -7.238 1.00 0.00 C ATOM 1639 C LYS A 100 -12.746 -17.934 -7.673 1.00 0.00 C ATOM 1640 O LYS A 100 -13.110 -18.977 -8.209 1.00 0.00 O ATOM 1641 CB LYS A 100 -11.111 -18.035 -5.726 1.00 0.00 C ATOM 1642 CG LYS A 100 -10.446 -19.388 -5.407 1.00 0.00 C ATOM 1643 CD LYS A 100 -11.105 -20.645 -6.005 1.00 0.00 C ATOM 1644 CE LYS A 100 -12.566 -20.827 -5.576 1.00 0.00 C ATOM 1645 NZ LYS A 100 -13.154 -22.044 -6.189 1.00 0.00 N ATOM 0 H LYS A 100 -10.443 -15.887 -6.808 1.00 0.00 H new ATOM 0 HA LYS A 100 -10.715 -18.521 -7.786 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.513 -17.235 -5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -12.089 -17.999 -5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.413 -19.349 -5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -10.415 -19.504 -4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.057 -20.589 -7.093 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.534 -21.524 -5.706 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -12.623 -20.899 -4.490 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -13.146 -19.952 -5.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -14.143 -22.144 -5.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -13.119 -21.962 -7.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -12.613 -22.880 -5.889 1.00 0.00 H new ATOM 1812 N GLU A 111 2.878 -20.923 -20.181 1.00 0.00 N ATOM 1813 CA GLU A 111 4.002 -20.229 -20.835 1.00 0.00 C ATOM 1814 C GLU A 111 5.375 -20.450 -20.156 1.00 0.00 C ATOM 1815 O GLU A 111 6.290 -19.642 -20.310 1.00 0.00 O ATOM 1816 CB GLU A 111 3.628 -18.740 -20.986 1.00 0.00 C ATOM 1817 CG GLU A 111 3.554 -17.971 -19.655 1.00 0.00 C ATOM 1818 CD GLU A 111 3.275 -16.459 -19.818 1.00 0.00 C ATOM 1819 OE1 GLU A 111 3.500 -15.882 -20.910 1.00 0.00 O ATOM 1820 OE2 GLU A 111 2.849 -15.820 -18.824 1.00 0.00 O ATOM 0 HA GLU A 111 4.150 -20.671 -21.820 1.00 0.00 H new ATOM 0 HB2 GLU A 111 4.361 -18.256 -21.632 1.00 0.00 H new ATOM 0 HB3 GLU A 111 2.663 -18.668 -21.489 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.771 -18.410 -19.036 1.00 0.00 H new ATOM 0 HG3 GLU A 111 4.494 -18.101 -19.119 1.00 0.00 H new ATOM 1827 N GLU A 112 5.512 -21.525 -19.367 1.00 0.00 N ATOM 1828 CA GLU A 112 6.650 -21.875 -18.483 1.00 0.00 C ATOM 1829 C GLU A 112 6.846 -20.923 -17.284 1.00 0.00 C ATOM 1830 O GLU A 112 7.121 -21.371 -16.171 1.00 0.00 O ATOM 1831 CB GLU A 112 7.940 -22.118 -19.288 1.00 0.00 C ATOM 1832 CG GLU A 112 9.051 -22.728 -18.423 1.00 0.00 C ATOM 1833 CD GLU A 112 10.230 -23.209 -19.292 1.00 0.00 C ATOM 1834 OE1 GLU A 112 11.148 -22.403 -19.583 1.00 0.00 O ATOM 1835 OE2 GLU A 112 10.253 -24.402 -19.685 1.00 0.00 O ATOM 0 H GLU A 112 4.778 -22.231 -19.321 1.00 0.00 H new ATOM 0 HA GLU A 112 6.381 -22.823 -18.017 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.725 -22.783 -20.125 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.286 -21.175 -19.711 1.00 0.00 H new ATOM 0 HG2 GLU A 112 9.403 -21.989 -17.704 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.652 -23.565 -17.850 1.00 0.00 H new ATOM 1842 N ASP A 113 6.574 -19.628 -17.460 1.00 0.00 N ATOM 1843 CA ASP A 113 6.366 -18.657 -16.372 1.00 0.00 C ATOM 1844 C ASP A 113 5.084 -18.944 -15.552 1.00 0.00 C ATOM 1845 O ASP A 113 4.841 -18.295 -14.537 1.00 0.00 O ATOM 1846 CB ASP A 113 6.350 -17.236 -16.964 1.00 0.00 C ATOM 1847 CG ASP A 113 6.560 -16.123 -15.921 1.00 0.00 C ATOM 1848 OD1 ASP A 113 7.544 -16.186 -15.145 1.00 0.00 O ATOM 1849 OD2 ASP A 113 5.772 -15.145 -15.930 1.00 0.00 O ATOM 0 H ASP A 113 6.489 -19.210 -18.386 1.00 0.00 H new ATOM 0 HA ASP A 113 7.193 -18.750 -15.668 1.00 0.00 H new ATOM 0 HB2 ASP A 113 7.129 -17.161 -17.723 1.00 0.00 H new ATOM 0 HB3 ASP A 113 5.397 -17.073 -17.467 1.00 0.00 H new ATOM 1854 N LYS A 114 4.282 -19.944 -15.963 1.00 0.00 N ATOM 1855 CA LYS A 114 3.033 -20.452 -15.354 1.00 0.00 C ATOM 1856 C LYS A 114 3.038 -20.608 -13.829 1.00 0.00 C ATOM 1857 O LYS A 114 1.985 -20.484 -13.205 1.00 0.00 O ATOM 1858 CB LYS A 114 2.636 -21.764 -16.064 1.00 0.00 C ATOM 1859 CG LYS A 114 3.631 -22.920 -15.855 1.00 0.00 C ATOM 1860 CD LYS A 114 3.197 -24.179 -16.620 1.00 0.00 C ATOM 1861 CE LYS A 114 4.212 -25.305 -16.384 1.00 0.00 C ATOM 1862 NZ LYS A 114 3.837 -26.549 -17.109 1.00 0.00 N ATOM 0 H LYS A 114 4.511 -20.467 -16.808 1.00 0.00 H new ATOM 0 HA LYS A 114 2.282 -19.678 -15.511 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.654 -22.075 -15.706 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.539 -21.571 -17.132 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.622 -22.613 -16.189 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.709 -23.147 -14.792 1.00 0.00 H new ATOM 0 HD2 LYS A 114 2.207 -24.494 -16.289 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.123 -23.961 -17.685 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.199 -24.978 -16.710 1.00 0.00 H new ATOM 0 HE3 LYS A 114 4.282 -25.514 -15.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 4.547 -27.286 -16.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 2.906 -26.875 -16.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 3.795 -26.357 -18.130 1.00 0.00 H new ATOM 1876 N VAL A 115 4.212 -20.790 -13.218 1.00 0.00 N ATOM 1877 CA VAL A 115 4.440 -20.692 -11.759 1.00 0.00 C ATOM 1878 C VAL A 115 3.881 -19.401 -11.122 1.00 0.00 C ATOM 1879 O VAL A 115 3.559 -19.399 -9.934 1.00 0.00 O ATOM 1880 CB VAL A 115 5.936 -20.911 -11.442 1.00 0.00 C ATOM 1881 CG1 VAL A 115 6.832 -19.759 -11.915 1.00 0.00 C ATOM 1882 CG2 VAL A 115 6.190 -21.165 -9.952 1.00 0.00 C ATOM 0 H VAL A 115 5.062 -21.017 -13.734 1.00 0.00 H new ATOM 0 HA VAL A 115 3.865 -21.491 -11.291 1.00 0.00 H new ATOM 0 HB VAL A 115 6.205 -21.804 -12.006 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.869 -19.977 -11.661 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.739 -19.646 -12.995 1.00 0.00 H new ATOM 0 HG13 VAL A 115 6.525 -18.835 -11.425 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.257 -21.312 -9.785 1.00 0.00 H new ATOM 0 HG22 VAL A 115 5.847 -20.308 -9.373 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.647 -22.056 -9.637 1.00 0.00 H new ATOM 1892 N LYS A 116 3.658 -18.335 -11.906 1.00 0.00 N ATOM 1893 CA LYS A 116 2.944 -17.101 -11.535 1.00 0.00 C ATOM 1894 C LYS A 116 1.544 -17.327 -10.933 1.00 0.00 C ATOM 1895 O LYS A 116 1.136 -16.575 -10.049 1.00 0.00 O ATOM 1896 CB LYS A 116 2.917 -16.180 -12.772 1.00 0.00 C ATOM 1897 CG LYS A 116 2.039 -16.717 -13.922 1.00 0.00 C ATOM 1898 CD LYS A 116 2.411 -16.175 -15.309 1.00 0.00 C ATOM 1899 CE LYS A 116 2.390 -14.648 -15.423 1.00 0.00 C ATOM 1900 NZ LYS A 116 3.210 -14.219 -16.581 1.00 0.00 N ATOM 0 H LYS A 116 3.989 -18.308 -12.870 1.00 0.00 H new ATOM 0 HA LYS A 116 3.487 -16.624 -10.719 1.00 0.00 H new ATOM 0 HB2 LYS A 116 2.551 -15.197 -12.475 1.00 0.00 H new ATOM 0 HB3 LYS A 116 3.935 -16.044 -13.136 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.109 -17.805 -13.939 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.998 -16.468 -13.715 1.00 0.00 H new ATOM 0 HD2 LYS A 116 3.408 -16.532 -15.569 1.00 0.00 H new ATOM 0 HD3 LYS A 116 1.722 -16.591 -16.044 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.365 -14.297 -15.542 1.00 0.00 H new ATOM 0 HE3 LYS A 116 2.776 -14.201 -14.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.098 -13.195 -16.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 4.211 -14.435 -16.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 2.898 -14.725 -17.434 1.00 0.00 H new ATOM 1914 N GLU A 117 0.832 -18.375 -11.363 1.00 0.00 N ATOM 1915 CA GLU A 117 -0.459 -18.810 -10.791 1.00 0.00 C ATOM 1916 C GLU A 117 -0.331 -20.027 -9.846 1.00 0.00 C ATOM 1917 O GLU A 117 -1.328 -20.475 -9.274 1.00 0.00 O ATOM 1918 CB GLU A 117 -1.451 -19.137 -11.923 1.00 0.00 C ATOM 1919 CG GLU A 117 -1.747 -17.972 -12.879 1.00 0.00 C ATOM 1920 CD GLU A 117 -2.254 -16.712 -12.158 1.00 0.00 C ATOM 1921 OE1 GLU A 117 -3.244 -16.803 -11.395 1.00 0.00 O ATOM 1922 OE2 GLU A 117 -1.696 -15.610 -12.362 1.00 0.00 O ATOM 0 H GLU A 117 1.141 -18.962 -12.138 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.827 -17.979 -10.189 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -1.057 -19.972 -12.502 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -2.389 -19.471 -11.479 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -0.841 -17.726 -13.433 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -2.491 -18.290 -13.609 1.00 0.00 H new ATOM 1929 N LYS A 118 0.888 -20.563 -9.684 1.00 0.00 N ATOM 1930 CA LYS A 118 1.244 -21.780 -8.925 1.00 0.00 C ATOM 1931 C LYS A 118 0.271 -22.967 -9.154 1.00 0.00 C ATOM 1932 O LYS A 118 -0.412 -23.396 -8.216 1.00 0.00 O ATOM 1933 CB LYS A 118 1.477 -21.398 -7.448 1.00 0.00 C ATOM 1934 CG LYS A 118 2.295 -22.461 -6.691 1.00 0.00 C ATOM 1935 CD LYS A 118 2.496 -22.120 -5.206 1.00 0.00 C ATOM 1936 CE LYS A 118 3.350 -20.860 -5.006 1.00 0.00 C ATOM 1937 NZ LYS A 118 3.585 -20.584 -3.564 1.00 0.00 N ATOM 0 H LYS A 118 1.710 -20.131 -10.107 1.00 0.00 H new ATOM 0 HA LYS A 118 2.181 -22.180 -9.312 1.00 0.00 H new ATOM 0 HB2 LYS A 118 1.997 -20.441 -7.400 1.00 0.00 H new ATOM 0 HB3 LYS A 118 0.515 -21.263 -6.954 1.00 0.00 H new ATOM 0 HG2 LYS A 118 1.791 -23.424 -6.772 1.00 0.00 H new ATOM 0 HG3 LYS A 118 3.269 -22.570 -7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 118 1.524 -21.976 -4.734 1.00 0.00 H new ATOM 0 HD3 LYS A 118 2.972 -22.962 -4.704 1.00 0.00 H new ATOM 0 HE2 LYS A 118 4.306 -20.983 -5.515 1.00 0.00 H new ATOM 0 HE3 LYS A 118 2.853 -20.005 -5.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 4.165 -19.726 -3.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 2.673 -20.443 -3.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 4.082 -21.390 -3.133 1.00 0.00 H new