USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 854 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 77 HIS : +bothHN:sc= 1.32 K(o=0.87,f=-9.7!) USER MOD Set 1.2: A 81 HIS : no HE2:sc= 0.489 K(o=0.87,f=-7.6!) USER MOD Set 1.3: A 100 HIS : +bothHN:sc= -0.948 K(o=0.87,f=-13!) USER MOD Set 2.1: A 46 GLN : amide:sc= 0.446 K(o=0.96,f=-5.4!) USER MOD Set 2.2: A 49 LYS NZ :NH3+ 142:sc= 0.51 (180deg=0) USER MOD Set 3.1: A 9 LYS NZ :NH3+ 171:sc= -0.0242 (180deg=-0.177) USER MOD Set 3.2: A 12 GLN : amide:sc= -0.359 K(o=-0.38,f=-3.5) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= -0.0711 (180deg=-0.462) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0865) USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= 1.52 (180deg=1.26) USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= -0.0759 (180deg=-0.364) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -1.67 K(o=-1.7,f=-6.1!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 174:sc= 0.938 (180deg=0.909) USER MOD Single : A 45 LYS NZ :NH3+ -163:sc= -0.0545 (180deg=-0.375) USER MOD Single : A 51 TYR OH : rot 138:sc= 0.00507 USER MOD Single : A 52 LYS NZ :NH3+ 165:sc= -0.0915 (180deg=-0.34) USER MOD Single : A 57 LYS NZ :NH3+ -146:sc= 1.27 (180deg=0.985) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 69 LYS NZ :NH3+ 172:sc= 1.27 (180deg=1.21) USER MOD Single : A 76 LYS NZ :NH3+ 169:sc= 1.29 (180deg=1.15) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN :FLIP amide:sc= -0.415 F(o=-2.2!,f=-0.42) USER MOD Single : A 95 SER OG : rot 68:sc= 1.02 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN :FLIP amide:sc=-0.00222 F(o=-0.93,f=-0.0022) USER MOD Single : A 102 GLN : amide:sc= -1.53! C(o=-1.5!,f=-6.9!) USER MOD Single : A 105 GLN : amide:sc= -0.485 X(o=-0.48,f=-0.056) USER MOD Single : A 107 HIS : +bothHN:sc= 1.86 K(o=1.9,f=-8.4!) USER MOD ----------------------------------------------------------------- ATOM 90 N GLU A 6 -8.952 3.837 10.045 1.00 0.00 N ATOM 91 CA GLU A 6 -9.276 2.973 8.917 1.00 0.00 C ATOM 92 C GLU A 6 -8.240 3.120 7.808 1.00 0.00 C ATOM 93 O GLU A 6 -7.896 2.151 7.130 1.00 0.00 O ATOM 94 CB GLU A 6 -10.671 3.305 8.382 1.00 0.00 C ATOM 95 CG GLU A 6 -11.779 3.076 9.396 1.00 0.00 C ATOM 96 CD GLU A 6 -11.858 1.631 9.847 1.00 0.00 C ATOM 97 OE1 GLU A 6 -12.436 0.805 9.108 1.00 0.00 O ATOM 98 OE2 GLU A 6 -11.346 1.317 10.939 1.00 0.00 O ATOM 0 HA GLU A 6 -9.265 1.939 9.263 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.691 4.347 8.063 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -10.867 2.698 7.498 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.613 3.716 10.263 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.734 3.371 8.960 1.00 0.00 H new ATOM 105 N LEU A 7 -7.750 4.339 7.643 1.00 0.00 N ATOM 106 CA LEU A 7 -6.741 4.644 6.647 1.00 0.00 C ATOM 107 C LEU A 7 -5.401 4.023 7.026 1.00 0.00 C ATOM 108 O LEU A 7 -4.772 3.331 6.224 1.00 0.00 O ATOM 109 CB LEU A 7 -6.599 6.165 6.514 1.00 0.00 C ATOM 110 CG LEU A 7 -7.656 6.865 5.645 1.00 0.00 C ATOM 111 CD1 LEU A 7 -9.034 6.791 6.284 1.00 0.00 C ATOM 112 CD2 LEU A 7 -7.263 8.316 5.406 1.00 0.00 C ATOM 0 H LEU A 7 -8.043 5.144 8.198 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.052 4.222 5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.630 6.602 7.512 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.614 6.384 6.101 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.702 6.346 4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.759 7.295 5.645 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.323 5.747 6.407 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.010 7.278 7.259 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.020 8.801 4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.187 8.835 6.362 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.301 8.353 4.896 1.00 0.00 H new ATOM 124 N LEU A 8 -4.989 4.252 8.268 1.00 0.00 N ATOM 125 CA LEU A 8 -3.691 3.800 8.748 1.00 0.00 C ATOM 126 C LEU A 8 -3.637 2.280 8.835 1.00 0.00 C ATOM 127 O LEU A 8 -2.664 1.662 8.410 1.00 0.00 O ATOM 128 CB LEU A 8 -3.402 4.410 10.120 1.00 0.00 C ATOM 129 CG LEU A 8 -1.956 4.281 10.601 1.00 0.00 C ATOM 130 CD1 LEU A 8 -1.002 4.915 9.602 1.00 0.00 C ATOM 131 CD2 LEU A 8 -1.791 4.924 11.968 1.00 0.00 C ATOM 0 H LEU A 8 -5.541 4.752 8.965 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.932 4.128 8.037 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.665 5.467 10.092 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.055 3.938 10.854 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.716 3.221 10.684 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.022 4.813 9.962 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.099 4.415 8.638 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.243 5.972 9.489 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.756 4.823 12.295 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.051 5.981 11.907 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.448 4.430 12.684 1.00 0.00 H new ATOM 143 N LYS A 9 -4.689 1.686 9.389 1.00 0.00 N ATOM 144 CA LYS A 9 -4.764 0.233 9.543 1.00 0.00 C ATOM 145 C LYS A 9 -4.652 -0.476 8.197 1.00 0.00 C ATOM 146 O LYS A 9 -4.062 -1.551 8.107 1.00 0.00 O ATOM 147 CB LYS A 9 -6.058 -0.175 10.255 1.00 0.00 C ATOM 148 CG LYS A 9 -5.913 -0.328 11.768 1.00 0.00 C ATOM 149 CD LYS A 9 -5.268 0.892 12.406 1.00 0.00 C ATOM 150 CE LYS A 9 -5.227 0.778 13.923 1.00 0.00 C ATOM 151 NZ LYS A 9 -4.540 -0.458 14.383 1.00 0.00 N ATOM 0 H LYS A 9 -5.505 2.188 9.740 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.918 -0.075 10.158 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.825 0.571 10.047 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.409 -1.118 9.837 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.895 -0.492 12.211 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.313 -1.211 11.987 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.255 1.010 12.022 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.823 1.787 12.123 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.717 1.648 14.336 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.245 0.790 14.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.403 -0.416 15.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.120 -1.287 14.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.615 -0.536 13.914 1.00 0.00 H new ATOM 165 N ALA A 10 -5.215 0.130 7.157 1.00 0.00 N ATOM 166 CA ALA A 10 -5.120 -0.422 5.810 1.00 0.00 C ATOM 167 C ALA A 10 -3.672 -0.415 5.328 1.00 0.00 C ATOM 168 O ALA A 10 -3.179 -1.406 4.787 1.00 0.00 O ATOM 169 CB ALA A 10 -6.005 0.365 4.856 1.00 0.00 C ATOM 0 H ALA A 10 -5.741 1.002 7.220 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.466 -1.455 5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.925 -0.057 3.854 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.041 0.310 5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.684 1.407 4.838 1.00 0.00 H new ATOM 175 N GLU A 11 -2.994 0.706 5.545 1.00 0.00 N ATOM 176 CA GLU A 11 -1.585 0.836 5.190 1.00 0.00 C ATOM 177 C GLU A 11 -0.738 -0.146 5.996 1.00 0.00 C ATOM 178 O GLU A 11 0.142 -0.814 5.456 1.00 0.00 O ATOM 179 CB GLU A 11 -1.117 2.269 5.442 1.00 0.00 C ATOM 180 CG GLU A 11 -1.752 3.290 4.508 1.00 0.00 C ATOM 181 CD GLU A 11 -1.191 3.222 3.102 1.00 0.00 C ATOM 182 OE1 GLU A 11 -1.463 2.273 2.371 1.00 0.00 O ATOM 183 OE2 GLU A 11 -0.430 4.117 2.710 1.00 0.00 O ATOM 0 H GLU A 11 -3.399 1.542 5.967 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.466 0.604 4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.345 2.541 6.473 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.033 2.313 5.332 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.829 3.125 4.474 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.595 4.291 4.910 1.00 0.00 H new ATOM 190 N GLN A 12 -1.021 -0.236 7.291 1.00 0.00 N ATOM 191 CA GLN A 12 -0.315 -1.159 8.171 1.00 0.00 C ATOM 192 C GLN A 12 -0.560 -2.602 7.745 1.00 0.00 C ATOM 193 O GLN A 12 0.336 -3.443 7.830 1.00 0.00 O ATOM 194 CB GLN A 12 -0.761 -0.968 9.621 1.00 0.00 C ATOM 195 CG GLN A 12 -0.440 0.405 10.190 1.00 0.00 C ATOM 196 CD GLN A 12 -1.041 0.613 11.567 1.00 0.00 C ATOM 197 OE1 GLN A 12 -2.083 0.045 11.891 1.00 0.00 O ATOM 198 NE2 GLN A 12 -0.391 1.422 12.389 1.00 0.00 N ATOM 0 H GLN A 12 -1.738 0.322 7.756 1.00 0.00 H new ATOM 0 HA GLN A 12 0.751 -0.944 8.097 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.836 -1.134 9.685 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.284 -1.727 10.240 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.642 0.529 10.246 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.814 1.173 9.513 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.470 1.875 12.084 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.752 1.592 13.328 1.00 0.00 H new ATOM 207 N GLN A 13 -1.778 -2.876 7.281 1.00 0.00 N ATOM 208 CA GLN A 13 -2.135 -4.207 6.805 1.00 0.00 C ATOM 209 C GLN A 13 -1.294 -4.564 5.594 1.00 0.00 C ATOM 210 O GLN A 13 -0.766 -5.670 5.493 1.00 0.00 O ATOM 211 CB GLN A 13 -3.624 -4.275 6.442 1.00 0.00 C ATOM 212 CG GLN A 13 -4.104 -5.669 6.077 1.00 0.00 C ATOM 213 CD GLN A 13 -5.557 -5.692 5.640 1.00 0.00 C ATOM 214 OE1 GLN A 13 -6.370 -4.873 6.077 1.00 0.00 O ATOM 215 NE2 GLN A 13 -5.893 -6.632 4.772 1.00 0.00 N ATOM 0 H GLN A 13 -2.533 -2.192 7.225 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.942 -4.922 7.605 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.211 -3.908 7.284 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.815 -3.604 5.604 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.481 -6.065 5.275 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.976 -6.329 6.935 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.190 -7.290 4.435 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.855 -6.699 4.439 1.00 0.00 H new ATOM 224 N GLY A 14 -1.157 -3.604 4.691 1.00 0.00 N ATOM 225 CA GLY A 14 -0.330 -3.799 3.519 1.00 0.00 C ATOM 226 C GLY A 14 1.119 -4.028 3.888 1.00 0.00 C ATOM 227 O GLY A 14 1.760 -4.922 3.349 1.00 0.00 O ATOM 0 H GLY A 14 -1.606 -2.690 4.750 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.700 -4.652 2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.407 -2.926 2.870 1.00 0.00 H new ATOM 231 N ILE A 15 1.625 -3.230 4.825 1.00 0.00 N ATOM 232 CA ILE A 15 2.991 -3.386 5.318 1.00 0.00 C ATOM 233 C ILE A 15 3.196 -4.782 5.901 1.00 0.00 C ATOM 234 O ILE A 15 4.188 -5.448 5.611 1.00 0.00 O ATOM 235 CB ILE A 15 3.324 -2.328 6.398 1.00 0.00 C ATOM 236 CG1 ILE A 15 3.276 -0.921 5.798 1.00 0.00 C ATOM 237 CG2 ILE A 15 4.687 -2.598 7.019 1.00 0.00 C ATOM 238 CD1 ILE A 15 3.501 0.181 6.811 1.00 0.00 C ATOM 0 H ILE A 15 1.107 -2.466 5.259 1.00 0.00 H new ATOM 0 HA ILE A 15 3.661 -3.244 4.470 1.00 0.00 H new ATOM 0 HB ILE A 15 2.574 -2.396 7.186 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.031 -0.843 5.016 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.307 -0.772 5.321 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.899 -1.842 7.775 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.687 -3.584 7.483 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.453 -2.562 6.245 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.453 1.149 6.312 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.731 0.131 7.581 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.482 0.058 7.271 1.00 0.00 H new ATOM 250 N LYS A 16 2.238 -5.216 6.710 1.00 0.00 N ATOM 251 CA LYS A 16 2.273 -6.542 7.315 1.00 0.00 C ATOM 252 C LYS A 16 2.314 -7.608 6.227 1.00 0.00 C ATOM 253 O LYS A 16 3.114 -8.544 6.282 1.00 0.00 O ATOM 254 CB LYS A 16 1.042 -6.724 8.208 1.00 0.00 C ATOM 255 CG LYS A 16 1.152 -7.866 9.208 1.00 0.00 C ATOM 256 CD LYS A 16 0.805 -9.208 8.586 1.00 0.00 C ATOM 257 CE LYS A 16 0.880 -10.325 9.613 1.00 0.00 C ATOM 258 NZ LYS A 16 0.018 -10.050 10.792 1.00 0.00 N ATOM 0 H LYS A 16 1.420 -4.663 6.964 1.00 0.00 H new ATOM 0 HA LYS A 16 3.170 -6.644 7.926 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.863 -5.797 8.753 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.171 -6.895 7.575 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.166 -7.903 9.605 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.487 -7.675 10.050 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.198 -9.167 8.162 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.490 -9.419 7.765 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.575 -11.264 9.151 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.913 -10.450 9.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.121 -10.927 11.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.475 -9.338 11.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.904 -9.691 10.472 1.00 0.00 H new ATOM 272 N ILE A 17 1.449 -7.446 5.233 1.00 0.00 N ATOM 273 CA ILE A 17 1.414 -8.340 4.083 1.00 0.00 C ATOM 274 C ILE A 17 2.758 -8.335 3.354 1.00 0.00 C ATOM 275 O ILE A 17 3.306 -9.390 3.043 1.00 0.00 O ATOM 276 CB ILE A 17 0.281 -7.947 3.101 1.00 0.00 C ATOM 277 CG1 ILE A 17 -1.086 -8.175 3.753 1.00 0.00 C ATOM 278 CG2 ILE A 17 0.388 -8.740 1.804 1.00 0.00 C ATOM 279 CD1 ILE A 17 -2.253 -7.748 2.889 1.00 0.00 C ATOM 0 H ILE A 17 0.757 -6.697 5.201 1.00 0.00 H new ATOM 0 HA ILE A 17 1.215 -9.345 4.454 1.00 0.00 H new ATOM 0 HB ILE A 17 0.386 -6.889 2.862 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.192 -9.233 3.993 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.124 -7.629 4.695 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.418 -8.447 1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.349 -8.536 1.331 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.310 -9.805 2.021 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.187 -7.940 3.418 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.173 -6.683 2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.241 -8.313 1.957 1.00 0.00 H new ATOM 291 N LEU A 18 3.292 -7.143 3.108 1.00 0.00 N ATOM 292 CA LEU A 18 4.568 -6.994 2.416 1.00 0.00 C ATOM 293 C LEU A 18 5.693 -7.710 3.163 1.00 0.00 C ATOM 294 O LEU A 18 6.550 -8.338 2.548 1.00 0.00 O ATOM 295 CB LEU A 18 4.905 -5.509 2.238 1.00 0.00 C ATOM 296 CG LEU A 18 3.937 -4.729 1.343 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.272 -3.250 1.358 1.00 0.00 C ATOM 298 CD2 LEU A 18 3.968 -5.268 -0.080 1.00 0.00 C ATOM 0 H LEU A 18 2.858 -6.261 3.379 1.00 0.00 H new ATOM 0 HA LEU A 18 4.474 -7.456 1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.929 -5.037 3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.909 -5.427 1.821 1.00 0.00 H new ATOM 0 HG LEU A 18 2.929 -4.858 1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.574 -2.712 0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.195 -2.870 2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.288 -3.103 0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.273 -4.700 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.976 -5.172 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.677 -6.318 -0.078 1.00 0.00 H new ATOM 310 N LYS A 19 5.676 -7.626 4.488 1.00 0.00 N ATOM 311 CA LYS A 19 6.661 -8.297 5.309 1.00 0.00 C ATOM 312 C LYS A 19 6.541 -9.816 5.172 1.00 0.00 C ATOM 313 O LYS A 19 7.548 -10.528 5.126 1.00 0.00 O ATOM 314 CB LYS A 19 6.480 -7.873 6.762 1.00 0.00 C ATOM 315 CG LYS A 19 6.798 -6.403 7.013 1.00 0.00 C ATOM 316 CD LYS A 19 6.572 -6.012 8.465 1.00 0.00 C ATOM 317 CE LYS A 19 7.515 -6.755 9.396 1.00 0.00 C ATOM 318 NZ LYS A 19 7.333 -6.351 10.815 1.00 0.00 N ATOM 0 H LYS A 19 4.983 -7.094 5.014 1.00 0.00 H new ATOM 0 HA LYS A 19 7.658 -8.012 4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.451 -8.070 7.064 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.121 -8.488 7.394 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.835 -6.205 6.741 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.175 -5.782 6.369 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.717 -4.938 8.580 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.540 -6.226 8.744 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.347 -7.828 9.301 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.545 -6.565 9.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.996 -6.882 11.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.518 -5.332 10.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.357 -6.556 11.112 1.00 0.00 H new ATOM 332 N GLU A 20 5.309 -10.305 5.107 1.00 0.00 N ATOM 333 CA GLU A 20 5.056 -11.717 4.897 1.00 0.00 C ATOM 334 C GLU A 20 5.553 -12.138 3.516 1.00 0.00 C ATOM 335 O GLU A 20 6.264 -13.133 3.378 1.00 0.00 O ATOM 336 CB GLU A 20 3.558 -11.974 5.031 1.00 0.00 C ATOM 337 CG GLU A 20 3.209 -13.260 5.749 1.00 0.00 C ATOM 338 CD GLU A 20 3.263 -14.493 4.861 1.00 0.00 C ATOM 339 OE1 GLU A 20 4.366 -15.048 4.668 1.00 0.00 O ATOM 340 OE2 GLU A 20 2.198 -14.926 4.374 1.00 0.00 O ATOM 0 H GLU A 20 4.467 -9.737 5.198 1.00 0.00 H new ATOM 0 HA GLU A 20 5.591 -12.305 5.643 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.104 -11.139 5.565 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.114 -11.995 4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.895 -13.396 6.585 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.207 -13.170 6.169 1.00 0.00 H new ATOM 347 N VAL A 21 5.197 -11.347 2.508 1.00 0.00 N ATOM 348 CA VAL A 21 5.599 -11.612 1.132 1.00 0.00 C ATOM 349 C VAL A 21 7.120 -11.589 0.991 1.00 0.00 C ATOM 350 O VAL A 21 7.694 -12.414 0.288 1.00 0.00 O ATOM 351 CB VAL A 21 4.974 -10.591 0.150 1.00 0.00 C ATOM 352 CG1 VAL A 21 5.392 -10.889 -1.281 1.00 0.00 C ATOM 353 CG2 VAL A 21 3.458 -10.594 0.265 1.00 0.00 C ATOM 0 H VAL A 21 4.625 -10.510 2.621 1.00 0.00 H new ATOM 0 HA VAL A 21 5.232 -12.607 0.879 1.00 0.00 H new ATOM 0 HB VAL A 21 5.342 -9.600 0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.940 -10.158 -1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.478 -10.833 -1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.058 -11.889 -1.557 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.039 -9.870 -0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.077 -11.588 0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.170 -10.327 1.282 1.00 0.00 H new ATOM 363 N LEU A 22 7.766 -10.650 1.674 1.00 0.00 N ATOM 364 CA LEU A 22 9.221 -10.531 1.636 1.00 0.00 C ATOM 365 C LEU A 22 9.889 -11.815 2.132 1.00 0.00 C ATOM 366 O LEU A 22 10.817 -12.328 1.507 1.00 0.00 O ATOM 367 CB LEU A 22 9.674 -9.342 2.489 1.00 0.00 C ATOM 368 CG LEU A 22 11.173 -9.038 2.440 1.00 0.00 C ATOM 369 CD1 LEU A 22 11.595 -8.648 1.032 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.523 -7.936 3.427 1.00 0.00 C ATOM 0 H LEU A 22 7.304 -9.957 2.263 1.00 0.00 H new ATOM 0 HA LEU A 22 9.522 -10.366 0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.129 -8.455 2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.391 -9.530 3.525 1.00 0.00 H new ATOM 0 HG LEU A 22 11.717 -9.940 2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.664 -8.436 1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.379 -9.468 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.045 -7.760 0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.593 -7.732 3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.969 -7.032 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.258 -8.253 4.436 1.00 0.00 H new ATOM 382 N LYS A 23 9.402 -12.331 3.255 1.00 0.00 N ATOM 383 CA LYS A 23 9.933 -13.563 3.829 1.00 0.00 C ATOM 384 C LYS A 23 9.633 -14.733 2.905 1.00 0.00 C ATOM 385 O LYS A 23 10.480 -15.590 2.658 1.00 0.00 O ATOM 386 CB LYS A 23 9.306 -13.814 5.202 1.00 0.00 C ATOM 387 CG LYS A 23 10.191 -14.603 6.164 1.00 0.00 C ATOM 388 CD LYS A 23 10.300 -16.071 5.774 1.00 0.00 C ATOM 389 CE LYS A 23 11.239 -16.840 6.699 1.00 0.00 C ATOM 390 NZ LYS A 23 10.781 -16.831 8.116 1.00 0.00 N ATOM 0 H LYS A 23 8.638 -11.914 3.788 1.00 0.00 H new ATOM 0 HA LYS A 23 11.012 -13.464 3.944 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.061 -12.854 5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.368 -14.352 5.067 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.187 -14.160 6.185 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.786 -14.526 7.173 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.311 -16.528 5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.659 -16.148 4.748 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.320 -17.871 6.354 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.237 -16.405 6.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.374 -17.475 8.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.858 -15.867 8.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.790 -17.144 8.163 1.00 0.00 H new ATOM 404 N LYS A 24 8.418 -14.746 2.395 1.00 0.00 N ATOM 405 CA LYS A 24 7.963 -15.814 1.520 1.00 0.00 C ATOM 406 C LYS A 24 8.653 -15.753 0.153 1.00 0.00 C ATOM 407 O LYS A 24 8.742 -16.756 -0.557 1.00 0.00 O ATOM 408 CB LYS A 24 6.443 -15.751 1.379 1.00 0.00 C ATOM 409 CG LYS A 24 5.840 -16.952 0.675 1.00 0.00 C ATOM 410 CD LYS A 24 4.359 -17.083 0.976 1.00 0.00 C ATOM 411 CE LYS A 24 4.088 -17.943 2.206 1.00 0.00 C ATOM 412 NZ LYS A 24 4.755 -17.426 3.430 1.00 0.00 N ATOM 0 H LYS A 24 7.720 -14.023 2.572 1.00 0.00 H new ATOM 0 HA LYS A 24 8.234 -16.770 1.968 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.999 -15.663 2.371 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.176 -14.848 0.829 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.987 -16.857 -0.401 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.358 -17.858 0.989 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.933 -16.091 1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.853 -17.518 0.114 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.013 -17.994 2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.429 -18.960 2.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.417 -17.955 4.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.784 -17.543 3.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.531 -16.417 3.548 1.00 0.00 H new ATOM 426 N ALA A 25 9.142 -14.576 -0.217 1.00 0.00 N ATOM 427 CA ALA A 25 9.956 -14.435 -1.418 1.00 0.00 C ATOM 428 C ALA A 25 11.316 -15.081 -1.196 1.00 0.00 C ATOM 429 O ALA A 25 11.917 -15.635 -2.115 1.00 0.00 O ATOM 430 CB ALA A 25 10.110 -12.972 -1.793 1.00 0.00 C ATOM 0 H ALA A 25 8.990 -13.707 0.296 1.00 0.00 H new ATOM 0 HA ALA A 25 9.457 -14.941 -2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.721 -12.889 -2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.127 -12.539 -1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.592 -12.436 -0.976 1.00 0.00 H new ATOM 436 N LYS A 26 11.786 -15.011 0.043 1.00 0.00 N ATOM 437 CA LYS A 26 13.011 -15.689 0.434 1.00 0.00 C ATOM 438 C LYS A 26 12.783 -17.198 0.397 1.00 0.00 C ATOM 439 O LYS A 26 13.679 -17.962 0.026 1.00 0.00 O ATOM 440 CB LYS A 26 13.457 -15.215 1.826 1.00 0.00 C ATOM 441 CG LYS A 26 14.732 -15.870 2.345 1.00 0.00 C ATOM 442 CD LYS A 26 14.436 -17.129 3.145 1.00 0.00 C ATOM 443 CE LYS A 26 15.714 -17.810 3.606 1.00 0.00 C ATOM 444 NZ LYS A 26 16.619 -16.871 4.314 1.00 0.00 N ATOM 0 H LYS A 26 11.335 -14.490 0.795 1.00 0.00 H new ATOM 0 HA LYS A 26 13.811 -15.445 -0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.606 -14.136 1.797 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.652 -15.407 2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.381 -16.118 1.505 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.276 -15.162 2.970 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.825 -16.875 4.011 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.854 -17.820 2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.465 -18.641 4.266 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.231 -18.232 2.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.385 -17.406 4.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.025 -16.199 3.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.082 -16.349 5.036 1.00 0.00 H new ATOM 458 N GLU A 27 11.578 -17.618 0.784 1.00 0.00 N ATOM 459 CA GLU A 27 11.161 -19.007 0.616 1.00 0.00 C ATOM 460 C GLU A 27 11.270 -19.386 -0.860 1.00 0.00 C ATOM 461 O GLU A 27 11.908 -20.378 -1.220 1.00 0.00 O ATOM 462 CB GLU A 27 9.723 -19.201 1.116 1.00 0.00 C ATOM 463 CG GLU A 27 9.542 -18.916 2.604 1.00 0.00 C ATOM 464 CD GLU A 27 8.121 -19.152 3.088 1.00 0.00 C ATOM 465 OE1 GLU A 27 7.704 -20.326 3.153 1.00 0.00 O ATOM 466 OE2 GLU A 27 7.420 -18.167 3.421 1.00 0.00 O ATOM 0 H GLU A 27 10.876 -17.016 1.215 1.00 0.00 H new ATOM 0 HA GLU A 27 11.811 -19.654 1.205 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.060 -18.548 0.548 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.413 -20.226 0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.223 -19.548 3.174 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.821 -17.882 2.806 1.00 0.00 H new ATOM 473 N GLY A 28 10.648 -18.572 -1.708 1.00 0.00 N ATOM 474 CA GLY A 28 10.867 -18.672 -3.137 1.00 0.00 C ATOM 475 C GLY A 28 9.946 -19.648 -3.837 1.00 0.00 C ATOM 476 O GLY A 28 10.414 -20.582 -4.482 1.00 0.00 O ATOM 0 H GLY A 28 9.993 -17.842 -1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.740 -17.686 -3.583 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.900 -18.972 -3.315 1.00 0.00 H new ATOM 480 N ASP A 29 8.644 -19.442 -3.721 1.00 0.00 N ATOM 481 CA ASP A 29 7.693 -20.226 -4.498 1.00 0.00 C ATOM 482 C ASP A 29 6.969 -19.327 -5.493 1.00 0.00 C ATOM 483 O ASP A 29 6.309 -18.369 -5.099 1.00 0.00 O ATOM 484 CB ASP A 29 6.680 -20.928 -3.598 1.00 0.00 C ATOM 485 CG ASP A 29 5.700 -21.767 -4.396 1.00 0.00 C ATOM 486 OD1 ASP A 29 6.006 -22.946 -4.669 1.00 0.00 O ATOM 487 OD2 ASP A 29 4.624 -21.250 -4.760 1.00 0.00 O ATOM 0 H ASP A 29 8.223 -18.747 -3.104 1.00 0.00 H new ATOM 0 HA ASP A 29 8.250 -20.992 -5.037 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.206 -21.564 -2.886 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.133 -20.185 -3.018 1.00 0.00 H new ATOM 492 N GLU A 30 7.103 -19.648 -6.778 1.00 0.00 N ATOM 493 CA GLU A 30 6.526 -18.834 -7.851 1.00 0.00 C ATOM 494 C GLU A 30 5.020 -18.650 -7.676 1.00 0.00 C ATOM 495 O GLU A 30 4.503 -17.536 -7.775 1.00 0.00 O ATOM 496 CB GLU A 30 6.788 -19.485 -9.213 1.00 0.00 C ATOM 497 CG GLU A 30 8.255 -19.755 -9.515 1.00 0.00 C ATOM 498 CD GLU A 30 8.449 -20.420 -10.865 1.00 0.00 C ATOM 499 OE1 GLU A 30 7.634 -21.300 -11.225 1.00 0.00 O ATOM 500 OE2 GLU A 30 9.409 -20.068 -11.578 1.00 0.00 O ATOM 0 H GLU A 30 7.609 -20.471 -7.105 1.00 0.00 H new ATOM 0 HA GLU A 30 7.005 -17.856 -7.803 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.241 -20.427 -9.262 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.383 -18.840 -9.993 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.808 -18.816 -9.492 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.674 -20.391 -8.735 1.00 0.00 H new ATOM 507 N GLN A 31 4.329 -19.748 -7.400 1.00 0.00 N ATOM 508 CA GLN A 31 2.872 -19.749 -7.368 1.00 0.00 C ATOM 509 C GLN A 31 2.351 -18.923 -6.205 1.00 0.00 C ATOM 510 O GLN A 31 1.440 -18.109 -6.364 1.00 0.00 O ATOM 511 CB GLN A 31 2.346 -21.174 -7.236 1.00 0.00 C ATOM 512 CG GLN A 31 2.894 -22.137 -8.272 1.00 0.00 C ATOM 513 CD GLN A 31 2.296 -23.519 -8.137 1.00 0.00 C ATOM 514 OE1 GLN A 31 1.283 -23.829 -8.759 1.00 0.00 O ATOM 515 NE2 GLN A 31 2.908 -24.352 -7.312 1.00 0.00 N ATOM 0 H GLN A 31 4.755 -20.652 -7.195 1.00 0.00 H new ATOM 0 HA GLN A 31 2.521 -19.310 -8.302 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.591 -21.549 -6.242 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.259 -21.157 -7.312 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.689 -21.750 -9.270 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.977 -22.200 -8.171 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.747 -24.053 -6.815 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.541 -25.293 -7.173 1.00 0.00 H new ATOM 524 N GLU A 32 2.944 -19.131 -5.042 1.00 0.00 N ATOM 525 CA GLU A 32 2.524 -18.437 -3.839 1.00 0.00 C ATOM 526 C GLU A 32 2.840 -16.947 -3.950 1.00 0.00 C ATOM 527 O GLU A 32 2.055 -16.108 -3.517 1.00 0.00 O ATOM 528 CB GLU A 32 3.203 -19.047 -2.612 1.00 0.00 C ATOM 529 CG GLU A 32 2.543 -18.670 -1.296 1.00 0.00 C ATOM 530 CD GLU A 32 1.115 -19.169 -1.187 1.00 0.00 C ATOM 531 OE1 GLU A 32 0.915 -20.386 -1.011 1.00 0.00 O ATOM 532 OE2 GLU A 32 0.184 -18.343 -1.256 1.00 0.00 O ATOM 0 H GLU A 32 3.721 -19.778 -4.906 1.00 0.00 H new ATOM 0 HA GLU A 32 1.446 -18.550 -3.725 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.203 -20.133 -2.710 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.245 -18.729 -2.589 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.129 -19.077 -0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.553 -17.585 -1.188 1.00 0.00 H new ATOM 539 N LEU A 33 3.982 -16.619 -4.547 1.00 0.00 N ATOM 540 CA LEU A 33 4.360 -15.222 -4.745 1.00 0.00 C ATOM 541 C LEU A 33 3.400 -14.529 -5.707 1.00 0.00 C ATOM 542 O LEU A 33 3.047 -13.367 -5.513 1.00 0.00 O ATOM 543 CB LEU A 33 5.793 -15.115 -5.266 1.00 0.00 C ATOM 544 CG LEU A 33 6.878 -15.509 -4.261 1.00 0.00 C ATOM 545 CD1 LEU A 33 8.260 -15.353 -4.876 1.00 0.00 C ATOM 546 CD2 LEU A 33 6.758 -14.672 -2.996 1.00 0.00 C ATOM 0 H LEU A 33 4.658 -17.296 -4.900 1.00 0.00 H new ATOM 0 HA LEU A 33 4.303 -14.722 -3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.891 -15.746 -6.149 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.971 -14.089 -5.587 1.00 0.00 H new ATOM 0 HG LEU A 33 6.739 -16.557 -3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.017 -15.638 -4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.342 -15.994 -5.753 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.412 -14.315 -5.170 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.536 -14.964 -2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.872 -13.617 -3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.780 -14.834 -2.544 1.00 0.00 H new ATOM 558 N ALA A 34 2.972 -15.248 -6.738 1.00 0.00 N ATOM 559 CA ALA A 34 1.990 -14.720 -7.677 1.00 0.00 C ATOM 560 C ALA A 34 0.644 -14.545 -6.983 1.00 0.00 C ATOM 561 O ALA A 34 -0.094 -13.591 -7.244 1.00 0.00 O ATOM 562 CB ALA A 34 1.855 -15.639 -8.882 1.00 0.00 C ATOM 0 H ALA A 34 3.288 -16.195 -6.945 1.00 0.00 H new ATOM 0 HA ALA A 34 2.331 -13.746 -8.029 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.118 -15.229 -9.572 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.818 -15.721 -9.387 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.533 -16.627 -8.552 1.00 0.00 H new ATOM 568 N ARG A 35 0.344 -15.471 -6.084 1.00 0.00 N ATOM 569 CA ARG A 35 -0.873 -15.424 -5.292 1.00 0.00 C ATOM 570 C ARG A 35 -0.823 -14.243 -4.325 1.00 0.00 C ATOM 571 O ARG A 35 -1.812 -13.531 -4.138 1.00 0.00 O ATOM 572 CB ARG A 35 -1.028 -16.740 -4.533 1.00 0.00 C ATOM 573 CG ARG A 35 -2.376 -16.928 -3.867 1.00 0.00 C ATOM 574 CD ARG A 35 -2.526 -18.351 -3.364 1.00 0.00 C ATOM 575 NE ARG A 35 -2.394 -19.318 -4.453 1.00 0.00 N ATOM 576 CZ ARG A 35 -1.665 -20.430 -4.381 1.00 0.00 C ATOM 577 NH1 ARG A 35 -0.966 -20.697 -3.290 1.00 0.00 N ATOM 578 NH2 ARG A 35 -1.608 -21.262 -5.413 1.00 0.00 N ATOM 0 H ARG A 35 0.938 -16.275 -5.884 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.734 -15.289 -5.947 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.861 -17.565 -5.225 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.250 -16.799 -3.772 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.478 -16.230 -3.036 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.173 -16.700 -4.575 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.771 -18.551 -2.604 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.499 -18.469 -2.886 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.892 -19.129 -5.323 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.985 -20.050 -2.501 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.408 -21.550 -3.237 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.124 -21.051 -6.267 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.048 -22.112 -5.352 1.00 0.00 H new ATOM 592 N LEU A 36 0.341 -14.040 -3.719 1.00 0.00 N ATOM 593 CA LEU A 36 0.564 -12.895 -2.845 1.00 0.00 C ATOM 594 C LEU A 36 0.460 -11.597 -3.631 1.00 0.00 C ATOM 595 O LEU A 36 -0.095 -10.620 -3.142 1.00 0.00 O ATOM 596 CB LEU A 36 1.932 -12.988 -2.172 1.00 0.00 C ATOM 597 CG LEU A 36 2.102 -14.155 -1.203 1.00 0.00 C ATOM 598 CD1 LEU A 36 3.519 -14.187 -0.663 1.00 0.00 C ATOM 599 CD2 LEU A 36 1.099 -14.056 -0.063 1.00 0.00 C ATOM 0 H LEU A 36 1.148 -14.656 -3.818 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.206 -12.903 -2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.695 -13.065 -2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.118 -12.059 -1.633 1.00 0.00 H new ATOM 0 HG LEU A 36 1.914 -15.083 -1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.627 -15.024 0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.221 -14.305 -1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.730 -13.255 -0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.237 -14.897 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.254 -13.123 0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.087 -14.077 -0.466 1.00 0.00 H new ATOM 611 N ASN A 37 0.988 -11.603 -4.851 1.00 0.00 N ATOM 612 CA ASN A 37 0.897 -10.447 -5.747 1.00 0.00 C ATOM 613 C ASN A 37 -0.568 -10.056 -5.928 1.00 0.00 C ATOM 614 O ASN A 37 -0.931 -8.887 -5.808 1.00 0.00 O ATOM 615 CB ASN A 37 1.547 -10.789 -7.099 1.00 0.00 C ATOM 616 CG ASN A 37 1.695 -9.597 -8.035 1.00 0.00 C ATOM 617 OD1 ASN A 37 0.911 -8.654 -8.008 1.00 0.00 O ATOM 618 ND2 ASN A 37 2.713 -9.641 -8.883 1.00 0.00 N ATOM 0 H ASN A 37 1.487 -12.399 -5.247 1.00 0.00 H new ATOM 0 HA ASN A 37 1.430 -9.600 -5.314 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.532 -11.220 -6.918 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.950 -11.555 -7.594 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.863 -8.875 -9.540 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.346 -10.441 -8.879 1.00 0.00 H new ATOM 625 N GLN A 38 -1.407 -11.058 -6.175 1.00 0.00 N ATOM 626 CA GLN A 38 -2.819 -10.876 -6.307 1.00 0.00 C ATOM 627 C GLN A 38 -3.417 -10.278 -5.032 1.00 0.00 C ATOM 628 O GLN A 38 -4.191 -9.322 -5.087 1.00 0.00 O ATOM 629 CB GLN A 38 -3.425 -12.241 -6.596 1.00 0.00 C ATOM 630 CG GLN A 38 -4.903 -12.189 -6.785 1.00 0.00 C ATOM 631 CD GLN A 38 -5.523 -13.551 -7.021 1.00 0.00 C ATOM 632 OE1 GLN A 38 -5.636 -14.008 -8.158 1.00 0.00 O ATOM 633 NE2 GLN A 38 -5.934 -14.207 -5.946 1.00 0.00 N ATOM 0 H GLN A 38 -1.105 -12.026 -6.288 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.037 -10.179 -7.116 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.963 -12.656 -7.492 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.192 -12.918 -5.774 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.360 -11.737 -5.905 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.132 -11.541 -7.631 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.821 -13.792 -5.021 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.363 -15.127 -6.043 1.00 0.00 H new ATOM 642 N GLU A 39 -3.034 -10.841 -3.891 1.00 0.00 N ATOM 643 CA GLU A 39 -3.535 -10.390 -2.597 1.00 0.00 C ATOM 644 C GLU A 39 -3.083 -8.955 -2.314 1.00 0.00 C ATOM 645 O GLU A 39 -3.828 -8.163 -1.738 1.00 0.00 O ATOM 646 CB GLU A 39 -3.045 -11.330 -1.490 1.00 0.00 C ATOM 647 CG GLU A 39 -3.777 -11.162 -0.168 1.00 0.00 C ATOM 648 CD GLU A 39 -5.236 -11.575 -0.242 1.00 0.00 C ATOM 649 OE1 GLU A 39 -5.565 -12.478 -1.035 1.00 0.00 O ATOM 650 OE2 GLU A 39 -6.063 -11.006 0.507 1.00 0.00 O ATOM 0 H GLU A 39 -2.373 -11.616 -3.836 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.625 -10.407 -2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.156 -12.361 -1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.980 -11.161 -1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.275 -11.755 0.597 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.715 -10.120 0.145 1.00 0.00 H new ATOM 657 N ILE A 40 -1.862 -8.625 -2.729 1.00 0.00 N ATOM 658 CA ILE A 40 -1.330 -7.279 -2.553 1.00 0.00 C ATOM 659 C ILE A 40 -2.158 -6.271 -3.342 1.00 0.00 C ATOM 660 O ILE A 40 -2.608 -5.269 -2.794 1.00 0.00 O ATOM 661 CB ILE A 40 0.152 -7.183 -2.990 1.00 0.00 C ATOM 662 CG1 ILE A 40 1.032 -8.051 -2.085 1.00 0.00 C ATOM 663 CG2 ILE A 40 0.631 -5.736 -2.957 1.00 0.00 C ATOM 664 CD1 ILE A 40 2.489 -8.085 -2.499 1.00 0.00 C ATOM 0 H ILE A 40 -1.223 -9.273 -3.190 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.387 -7.048 -1.489 1.00 0.00 H new ATOM 0 HB ILE A 40 0.231 -7.550 -4.013 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.963 -7.680 -1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.641 -9.068 -2.082 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.675 -5.691 -3.268 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.024 -5.136 -3.636 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.537 -5.345 -1.944 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.048 -8.719 -1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.571 -8.485 -3.510 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.898 -7.075 -2.475 1.00 0.00 H new ATOM 676 N VAL A 41 -2.379 -6.554 -4.623 1.00 0.00 N ATOM 677 CA VAL A 41 -3.197 -5.686 -5.468 1.00 0.00 C ATOM 678 C VAL A 41 -4.611 -5.593 -4.906 1.00 0.00 C ATOM 679 O VAL A 41 -5.218 -4.525 -4.881 1.00 0.00 O ATOM 680 CB VAL A 41 -3.251 -6.196 -6.927 1.00 0.00 C ATOM 681 CG1 VAL A 41 -4.127 -5.291 -7.781 1.00 0.00 C ATOM 682 CG2 VAL A 41 -1.849 -6.290 -7.513 1.00 0.00 C ATOM 0 H VAL A 41 -2.005 -7.375 -5.098 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.736 -4.698 -5.472 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.691 -7.193 -6.924 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.151 -5.668 -8.804 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.139 -5.276 -7.376 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.719 -4.280 -7.776 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.907 -6.651 -8.540 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.383 -5.305 -7.500 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.252 -6.982 -6.919 1.00 0.00 H new ATOM 692 N LYS A 42 -5.110 -6.724 -4.437 1.00 0.00 N ATOM 693 CA LYS A 42 -6.425 -6.810 -3.817 1.00 0.00 C ATOM 694 C LYS A 42 -6.516 -5.890 -2.594 1.00 0.00 C ATOM 695 O LYS A 42 -7.485 -5.142 -2.438 1.00 0.00 O ATOM 696 CB LYS A 42 -6.674 -8.268 -3.422 1.00 0.00 C ATOM 697 CG LYS A 42 -7.887 -8.506 -2.545 1.00 0.00 C ATOM 698 CD LYS A 42 -7.891 -9.943 -2.056 1.00 0.00 C ATOM 699 CE LYS A 42 -8.979 -10.199 -1.032 1.00 0.00 C ATOM 700 NZ LYS A 42 -8.766 -11.488 -0.328 1.00 0.00 N ATOM 0 H LYS A 42 -4.613 -7.614 -4.475 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.188 -6.482 -4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.782 -8.860 -4.331 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.792 -8.642 -2.902 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.873 -7.823 -1.696 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.799 -8.300 -3.105 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.029 -10.613 -2.905 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.921 -10.178 -1.619 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.997 -9.385 -0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.951 -10.208 -1.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.467 -11.587 0.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.874 -12.273 -1.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.808 -11.508 0.077 1.00 0.00 H new ATOM 714 N ALA A 43 -5.500 -5.945 -1.737 1.00 0.00 N ATOM 715 CA ALA A 43 -5.455 -5.115 -0.537 1.00 0.00 C ATOM 716 C ALA A 43 -5.253 -3.644 -0.891 1.00 0.00 C ATOM 717 O ALA A 43 -5.971 -2.772 -0.397 1.00 0.00 O ATOM 718 CB ALA A 43 -4.354 -5.596 0.396 1.00 0.00 C ATOM 0 H ALA A 43 -4.693 -6.559 -1.852 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.413 -5.207 -0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.332 -4.968 1.287 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.547 -6.629 0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.393 -5.536 -0.114 1.00 0.00 H new ATOM 724 N GLU A 44 -4.280 -3.383 -1.761 1.00 0.00 N ATOM 725 CA GLU A 44 -3.961 -2.022 -2.179 1.00 0.00 C ATOM 726 C GLU A 44 -5.162 -1.359 -2.837 1.00 0.00 C ATOM 727 O GLU A 44 -5.532 -0.249 -2.480 1.00 0.00 O ATOM 728 CB GLU A 44 -2.779 -2.025 -3.150 1.00 0.00 C ATOM 729 CG GLU A 44 -1.438 -2.297 -2.488 1.00 0.00 C ATOM 730 CD GLU A 44 -0.782 -1.038 -1.958 1.00 0.00 C ATOM 731 OE1 GLU A 44 -0.147 -0.312 -2.738 1.00 0.00 O ATOM 732 OE2 GLU A 44 -0.846 -0.757 -0.762 1.00 0.00 O ATOM 0 H GLU A 44 -3.697 -4.101 -2.191 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.693 -1.453 -1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.954 -2.779 -3.917 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.734 -1.060 -3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.578 -3.002 -1.668 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.772 -2.774 -3.207 1.00 0.00 H new ATOM 739 N LYS A 45 -5.783 -2.060 -3.778 1.00 0.00 N ATOM 740 CA LYS A 45 -6.925 -1.528 -4.516 1.00 0.00 C ATOM 741 C LYS A 45 -8.091 -1.226 -3.571 1.00 0.00 C ATOM 742 O LYS A 45 -8.833 -0.259 -3.773 1.00 0.00 O ATOM 743 CB LYS A 45 -7.348 -2.517 -5.604 1.00 0.00 C ATOM 744 CG LYS A 45 -8.386 -1.973 -6.570 1.00 0.00 C ATOM 745 CD LYS A 45 -8.593 -2.910 -7.745 1.00 0.00 C ATOM 746 CE LYS A 45 -9.716 -2.436 -8.650 1.00 0.00 C ATOM 747 NZ LYS A 45 -11.017 -2.428 -7.938 1.00 0.00 N ATOM 0 H LYS A 45 -5.513 -3.005 -4.050 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.630 -0.592 -4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.466 -2.818 -6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.745 -3.414 -5.129 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.331 -1.828 -6.047 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.070 -0.995 -6.934 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.669 -2.983 -8.319 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.820 -3.911 -7.377 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.493 -1.433 -9.015 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.781 -3.086 -9.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.792 -2.384 -8.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.108 -3.295 -7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.065 -1.599 -7.312 1.00 0.00 H new ATOM 761 N GLN A 46 -8.257 -2.064 -2.555 1.00 0.00 N ATOM 762 CA GLN A 46 -9.245 -1.820 -1.510 1.00 0.00 C ATOM 763 C GLN A 46 -8.922 -0.525 -0.776 1.00 0.00 C ATOM 764 O GLN A 46 -9.791 0.326 -0.572 1.00 0.00 O ATOM 765 CB GLN A 46 -9.255 -2.993 -0.528 1.00 0.00 C ATOM 766 CG GLN A 46 -10.128 -2.789 0.705 1.00 0.00 C ATOM 767 CD GLN A 46 -11.565 -2.428 0.378 1.00 0.00 C ATOM 768 OE1 GLN A 46 -12.103 -2.814 -0.662 1.00 0.00 O ATOM 769 NE2 GLN A 46 -12.194 -1.684 1.273 1.00 0.00 N ATOM 0 H GLN A 46 -7.718 -2.921 -2.432 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.231 -1.726 -1.965 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.596 -3.885 -1.053 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.232 -3.185 -0.204 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.118 -3.701 1.302 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.695 -2.000 1.320 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.710 -1.387 2.120 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.163 -1.408 1.116 1.00 0.00 H new ATOM 778 N GLY A 47 -7.662 -0.389 -0.397 1.00 0.00 N ATOM 779 CA GLY A 47 -7.199 0.823 0.249 1.00 0.00 C ATOM 780 C GLY A 47 -7.360 2.039 -0.642 1.00 0.00 C ATOM 781 O GLY A 47 -7.788 3.100 -0.185 1.00 0.00 O ATOM 0 H GLY A 47 -6.945 -1.102 -0.526 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.755 0.976 1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.150 0.710 0.522 1.00 0.00 H new ATOM 785 N VAL A 48 -7.035 1.871 -1.921 1.00 0.00 N ATOM 786 CA VAL A 48 -7.174 2.937 -2.905 1.00 0.00 C ATOM 787 C VAL A 48 -8.610 3.445 -2.943 1.00 0.00 C ATOM 788 O VAL A 48 -8.843 4.644 -2.926 1.00 0.00 O ATOM 789 CB VAL A 48 -6.760 2.465 -4.321 1.00 0.00 C ATOM 790 CG1 VAL A 48 -7.054 3.531 -5.364 1.00 0.00 C ATOM 791 CG2 VAL A 48 -5.286 2.097 -4.361 1.00 0.00 C ATOM 0 H VAL A 48 -6.670 0.998 -2.301 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.508 3.745 -2.602 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.351 1.579 -4.555 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.753 3.171 -6.348 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.122 3.750 -5.369 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.499 4.438 -5.124 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.020 1.769 -5.366 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.686 2.967 -4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.093 1.291 -3.653 1.00 0.00 H new ATOM 801 N LYS A 49 -9.564 2.522 -2.969 1.00 0.00 N ATOM 802 CA LYS A 49 -10.980 2.873 -3.002 1.00 0.00 C ATOM 803 C LYS A 49 -11.345 3.768 -1.818 1.00 0.00 C ATOM 804 O LYS A 49 -12.049 4.765 -1.973 1.00 0.00 O ATOM 805 CB LYS A 49 -11.826 1.600 -2.983 1.00 0.00 C ATOM 806 CG LYS A 49 -13.321 1.848 -3.105 1.00 0.00 C ATOM 807 CD LYS A 49 -14.099 0.544 -3.122 1.00 0.00 C ATOM 808 CE LYS A 49 -13.819 -0.279 -1.876 1.00 0.00 C ATOM 809 NZ LYS A 49 -14.486 -1.605 -1.921 1.00 0.00 N ATOM 0 H LYS A 49 -9.382 1.518 -2.968 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.182 3.426 -3.920 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.508 0.953 -3.800 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.632 1.061 -2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.658 2.464 -2.271 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.525 2.407 -4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -15.166 0.755 -3.189 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.831 -0.031 -4.009 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.743 -0.418 -1.768 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.159 0.268 -0.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.860 -2.323 -1.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.374 -1.565 -1.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.692 -1.857 -2.909 1.00 0.00 H new ATOM 823 N VAL A 50 -10.844 3.411 -0.642 1.00 0.00 N ATOM 824 CA VAL A 50 -11.084 4.190 0.570 1.00 0.00 C ATOM 825 C VAL A 50 -10.420 5.564 0.472 1.00 0.00 C ATOM 826 O VAL A 50 -11.021 6.582 0.819 1.00 0.00 O ATOM 827 CB VAL A 50 -10.562 3.452 1.824 1.00 0.00 C ATOM 828 CG1 VAL A 50 -10.825 4.265 3.083 1.00 0.00 C ATOM 829 CG2 VAL A 50 -11.198 2.075 1.933 1.00 0.00 C ATOM 0 H VAL A 50 -10.266 2.583 -0.500 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.162 4.319 0.665 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.484 3.329 1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.448 3.724 3.951 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.318 5.227 3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.897 4.427 3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.820 1.569 2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.280 2.179 2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.950 1.489 1.048 1.00 0.00 H new ATOM 839 N TYR A 51 -9.185 5.593 -0.014 1.00 0.00 N ATOM 840 CA TYR A 51 -8.473 6.852 -0.195 1.00 0.00 C ATOM 841 C TYR A 51 -9.133 7.703 -1.276 1.00 0.00 C ATOM 842 O TYR A 51 -9.163 8.923 -1.173 1.00 0.00 O ATOM 843 CB TYR A 51 -6.994 6.614 -0.518 1.00 0.00 C ATOM 844 CG TYR A 51 -6.152 6.375 0.716 1.00 0.00 C ATOM 845 CD1 TYR A 51 -5.679 7.445 1.462 1.00 0.00 C ATOM 846 CD2 TYR A 51 -5.839 5.091 1.140 1.00 0.00 C ATOM 847 CE1 TYR A 51 -4.923 7.245 2.600 1.00 0.00 C ATOM 848 CE2 TYR A 51 -5.087 4.881 2.281 1.00 0.00 C ATOM 849 CZ TYR A 51 -4.626 5.962 3.003 1.00 0.00 C ATOM 850 OH TYR A 51 -3.882 5.760 4.142 1.00 0.00 O ATOM 0 H TYR A 51 -8.658 4.764 -0.289 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.525 7.398 0.747 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.906 5.755 -1.183 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.602 7.476 -1.058 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.906 8.453 1.147 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.188 4.243 0.570 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.567 8.090 3.171 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.862 3.876 2.605 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.263 5.016 4.654 1.00 0.00 H new ATOM 860 N LYS A 52 -9.665 7.054 -2.306 1.00 0.00 N ATOM 861 CA LYS A 52 -10.422 7.751 -3.341 1.00 0.00 C ATOM 862 C LYS A 52 -11.652 8.399 -2.732 1.00 0.00 C ATOM 863 O LYS A 52 -11.963 9.552 -3.021 1.00 0.00 O ATOM 864 CB LYS A 52 -10.842 6.795 -4.460 1.00 0.00 C ATOM 865 CG LYS A 52 -9.683 6.293 -5.305 1.00 0.00 C ATOM 866 CD LYS A 52 -10.167 5.488 -6.499 1.00 0.00 C ATOM 867 CE LYS A 52 -11.002 6.339 -7.445 1.00 0.00 C ATOM 868 NZ LYS A 52 -10.268 7.552 -7.896 1.00 0.00 N ATOM 0 H LYS A 52 -9.586 6.047 -2.447 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.779 8.518 -3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.356 5.940 -4.021 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -11.559 7.300 -5.107 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.092 7.140 -5.653 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.026 5.676 -4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.310 5.080 -7.035 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.759 4.641 -6.152 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.287 5.744 -8.313 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.924 6.637 -6.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.753 7.966 -8.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.240 8.248 -7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.297 7.291 -8.162 1.00 0.00 H new ATOM 882 N GLU A 53 -12.333 7.655 -1.871 1.00 0.00 N ATOM 883 CA GLU A 53 -13.482 8.165 -1.153 1.00 0.00 C ATOM 884 C GLU A 53 -13.104 9.405 -0.354 1.00 0.00 C ATOM 885 O GLU A 53 -13.755 10.443 -0.456 1.00 0.00 O ATOM 886 CB GLU A 53 -14.026 7.083 -0.227 1.00 0.00 C ATOM 887 CG GLU A 53 -14.961 6.105 -0.918 1.00 0.00 C ATOM 888 CD GLU A 53 -16.188 6.785 -1.491 1.00 0.00 C ATOM 889 OE1 GLU A 53 -16.974 7.365 -0.710 1.00 0.00 O ATOM 890 OE2 GLU A 53 -16.370 6.753 -2.722 1.00 0.00 O ATOM 0 H GLU A 53 -12.102 6.685 -1.655 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.254 8.444 -1.870 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.190 6.531 0.204 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.555 7.557 0.600 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.424 5.597 -1.719 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.272 5.340 -0.207 1.00 0.00 H new ATOM 897 N ALA A 54 -12.025 9.302 0.407 1.00 0.00 N ATOM 898 CA ALA A 54 -11.562 10.412 1.228 1.00 0.00 C ATOM 899 C ALA A 54 -11.074 11.579 0.372 1.00 0.00 C ATOM 900 O ALA A 54 -11.229 12.736 0.749 1.00 0.00 O ATOM 901 CB ALA A 54 -10.466 9.943 2.172 1.00 0.00 C ATOM 0 H ALA A 54 -11.453 8.460 0.474 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.406 10.770 1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.127 10.781 2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.855 9.158 2.820 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.629 9.554 1.593 1.00 0.00 H new ATOM 907 N ALA A 55 -10.475 11.271 -0.775 1.00 0.00 N ATOM 908 CA ALA A 55 -10.006 12.299 -1.697 1.00 0.00 C ATOM 909 C ALA A 55 -11.169 13.070 -2.304 1.00 0.00 C ATOM 910 O ALA A 55 -11.088 14.282 -2.490 1.00 0.00 O ATOM 911 CB ALA A 55 -9.149 11.688 -2.797 1.00 0.00 C ATOM 0 H ALA A 55 -10.303 10.316 -1.088 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.396 12.999 -1.126 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.810 12.473 -3.473 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.285 11.194 -2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.737 10.959 -3.354 1.00 0.00 H new ATOM 917 N GLU A 56 -12.253 12.369 -2.608 1.00 0.00 N ATOM 918 CA GLU A 56 -13.426 13.008 -3.189 1.00 0.00 C ATOM 919 C GLU A 56 -14.195 13.755 -2.106 1.00 0.00 C ATOM 920 O GLU A 56 -14.760 14.826 -2.344 1.00 0.00 O ATOM 921 CB GLU A 56 -14.336 11.978 -3.864 1.00 0.00 C ATOM 922 CG GLU A 56 -13.651 11.166 -4.956 1.00 0.00 C ATOM 923 CD GLU A 56 -12.999 12.026 -6.020 1.00 0.00 C ATOM 924 OE1 GLU A 56 -13.711 12.832 -6.653 1.00 0.00 O ATOM 925 OE2 GLU A 56 -11.779 11.875 -6.249 1.00 0.00 O ATOM 0 H GLU A 56 -12.345 11.364 -2.463 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.092 13.714 -3.949 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.720 11.296 -3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.195 12.494 -4.294 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.895 10.525 -4.503 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.384 10.511 -5.427 1.00 0.00 H new ATOM 932 N LYS A 57 -14.191 13.186 -0.909 1.00 0.00 N ATOM 933 CA LYS A 57 -14.817 13.807 0.248 1.00 0.00 C ATOM 934 C LYS A 57 -13.810 14.667 1.004 1.00 0.00 C ATOM 935 O LYS A 57 -13.977 14.913 2.198 1.00 0.00 O ATOM 936 CB LYS A 57 -15.388 12.744 1.193 1.00 0.00 C ATOM 937 CG LYS A 57 -16.773 12.227 0.819 1.00 0.00 C ATOM 938 CD LYS A 57 -16.734 11.244 -0.339 1.00 0.00 C ATOM 939 CE LYS A 57 -18.102 10.630 -0.581 1.00 0.00 C ATOM 940 NZ LYS A 57 -18.075 9.599 -1.649 1.00 0.00 N ATOM 0 H LYS A 57 -13.755 12.285 -0.713 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.631 14.437 -0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.698 11.901 1.226 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.431 13.160 2.200 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.223 11.744 1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -17.413 13.069 0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.396 11.753 -1.241 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.011 10.456 -0.127 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.466 10.183 0.344 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -18.807 11.415 -0.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.972 9.620 -2.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.288 9.794 -2.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.946 8.660 -1.222 1.00 0.00 H new ATOM 954 N ALA A 58 -12.762 15.113 0.307 1.00 0.00 N ATOM 955 CA ALA A 58 -11.731 15.956 0.905 1.00 0.00 C ATOM 956 C ALA A 58 -12.348 17.157 1.606 1.00 0.00 C ATOM 957 O ALA A 58 -12.995 17.997 0.978 1.00 0.00 O ATOM 958 CB ALA A 58 -10.740 16.411 -0.152 1.00 0.00 C ATOM 0 H ALA A 58 -12.607 14.901 -0.679 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.200 15.364 1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.978 17.039 0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.267 15.540 -0.606 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.263 16.981 -0.920 1.00 0.00 H new ATOM 964 N ARG A 59 -12.146 17.224 2.915 1.00 0.00 N ATOM 965 CA ARG A 59 -12.756 18.259 3.734 1.00 0.00 C ATOM 966 C ARG A 59 -11.847 19.478 3.856 1.00 0.00 C ATOM 967 O ARG A 59 -12.308 20.576 4.153 1.00 0.00 O ATOM 968 CB ARG A 59 -13.082 17.697 5.120 1.00 0.00 C ATOM 969 CG ARG A 59 -13.928 16.432 5.072 1.00 0.00 C ATOM 970 CD ARG A 59 -14.237 15.900 6.463 1.00 0.00 C ATOM 971 NE ARG A 59 -15.053 16.832 7.238 1.00 0.00 N ATOM 972 CZ ARG A 59 -15.383 16.652 8.517 1.00 0.00 C ATOM 973 NH1 ARG A 59 -15.011 15.547 9.157 1.00 0.00 N ATOM 974 NH2 ARG A 59 -16.106 17.567 9.147 1.00 0.00 N ATOM 0 H ARG A 59 -11.561 16.569 3.433 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.678 18.581 3.249 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -12.152 17.484 5.646 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -13.609 18.456 5.698 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -14.861 16.639 4.548 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.404 15.667 4.499 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.758 14.946 6.379 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -13.304 15.708 6.993 1.00 0.00 H new ATOM 0 HE ARG A 59 -15.391 17.673 6.771 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -14.471 14.833 8.669 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.266 15.414 10.136 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.409 18.407 8.653 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -16.360 17.431 10.126 1.00 0.00 H new ATOM 988 N ASN A 60 -10.554 19.285 3.621 1.00 0.00 N ATOM 989 CA ASN A 60 -9.591 20.374 3.721 1.00 0.00 C ATOM 990 C ASN A 60 -8.638 20.343 2.539 1.00 0.00 C ATOM 991 O ASN A 60 -8.194 19.271 2.127 1.00 0.00 O ATOM 992 CB ASN A 60 -8.797 20.288 5.028 1.00 0.00 C ATOM 993 CG ASN A 60 -9.658 20.502 6.259 1.00 0.00 C ATOM 994 OD1 ASN A 60 -10.206 19.552 6.819 1.00 0.00 O ATOM 995 ND2 ASN A 60 -9.772 21.748 6.695 1.00 0.00 N ATOM 0 H ASN A 60 -10.149 18.386 3.360 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.144 21.313 3.714 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.317 19.311 5.092 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.002 21.033 5.013 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.330 21.949 7.525 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.301 22.506 6.201 1.00 0.00 H new ATOM 1002 N PRO A 61 -8.314 21.518 1.980 1.00 0.00 N ATOM 1003 CA PRO A 61 -7.417 21.632 0.821 1.00 0.00 C ATOM 1004 C PRO A 61 -6.039 21.025 1.086 1.00 0.00 C ATOM 1005 O PRO A 61 -5.488 20.322 0.237 1.00 0.00 O ATOM 1006 CB PRO A 61 -7.303 23.143 0.598 1.00 0.00 C ATOM 1007 CG PRO A 61 -8.520 23.716 1.239 1.00 0.00 C ATOM 1008 CD PRO A 61 -8.813 22.834 2.419 1.00 0.00 C ATOM 0 HA PRO A 61 -7.804 21.090 -0.042 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.394 23.542 1.048 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.265 23.384 -0.464 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.349 24.746 1.553 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.359 23.730 0.543 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.303 23.180 3.318 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.878 22.806 2.648 1.00 0.00 H new ATOM 1016 N GLU A 62 -5.495 21.293 2.265 1.00 0.00 N ATOM 1017 CA GLU A 62 -4.196 20.784 2.645 1.00 0.00 C ATOM 1018 C GLU A 62 -4.201 19.266 2.701 1.00 0.00 C ATOM 1019 O GLU A 62 -3.306 18.598 2.185 1.00 0.00 O ATOM 1020 CB GLU A 62 -3.835 21.302 4.029 1.00 0.00 C ATOM 1021 CG GLU A 62 -4.014 22.798 4.235 1.00 0.00 C ATOM 1022 CD GLU A 62 -5.455 23.172 4.521 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -5.974 22.788 5.588 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -6.077 23.834 3.672 1.00 0.00 O ATOM 0 H GLU A 62 -5.944 21.867 2.978 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.473 21.118 1.901 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.443 20.776 4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.795 21.046 4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.385 23.126 5.062 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.673 23.328 3.346 1.00 0.00 H new ATOM 1031 N LYS A 63 -5.233 18.738 3.326 1.00 0.00 N ATOM 1032 CA LYS A 63 -5.375 17.303 3.510 1.00 0.00 C ATOM 1033 C LYS A 63 -5.701 16.620 2.188 1.00 0.00 C ATOM 1034 O LYS A 63 -5.407 15.442 1.999 1.00 0.00 O ATOM 1035 CB LYS A 63 -6.450 17.024 4.564 1.00 0.00 C ATOM 1036 CG LYS A 63 -6.187 17.762 5.870 1.00 0.00 C ATOM 1037 CD LYS A 63 -7.243 17.482 6.929 1.00 0.00 C ATOM 1038 CE LYS A 63 -6.996 18.320 8.179 1.00 0.00 C ATOM 1039 NZ LYS A 63 -7.944 17.995 9.279 1.00 0.00 N ATOM 0 H LYS A 63 -5.997 19.287 3.721 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.430 16.891 3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.424 17.319 4.173 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.495 15.952 4.758 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.209 17.474 6.254 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.150 18.834 5.675 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.233 17.702 6.529 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.232 16.423 7.188 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.975 18.159 8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.085 19.377 7.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.735 18.591 10.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.918 18.173 8.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.843 16.993 9.540 1.00 0.00 H new ATOM 1053 N ARG A 64 -6.294 17.378 1.270 1.00 0.00 N ATOM 1054 CA ARG A 64 -6.569 16.888 -0.073 1.00 0.00 C ATOM 1055 C ARG A 64 -5.256 16.517 -0.759 1.00 0.00 C ATOM 1056 O ARG A 64 -5.174 15.505 -1.452 1.00 0.00 O ATOM 1057 CB ARG A 64 -7.319 17.961 -0.881 1.00 0.00 C ATOM 1058 CG ARG A 64 -8.025 17.454 -2.138 1.00 0.00 C ATOM 1059 CD ARG A 64 -7.054 17.122 -3.260 1.00 0.00 C ATOM 1060 NE ARG A 64 -7.744 16.704 -4.480 1.00 0.00 N ATOM 1061 CZ ARG A 64 -7.519 15.549 -5.107 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -6.702 14.649 -4.582 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -8.130 15.287 -6.250 1.00 0.00 N ATOM 0 H ARG A 64 -6.594 18.339 1.435 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.199 16.000 -0.015 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.059 18.430 -0.232 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.610 18.737 -1.170 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.606 16.566 -1.891 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.730 18.210 -2.484 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.437 17.994 -3.474 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.382 16.328 -2.934 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.441 17.335 -4.876 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.240 14.837 -3.692 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.535 13.768 -5.067 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.774 15.969 -6.652 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.958 14.403 -6.730 1.00 0.00 H new ATOM 1077 N GLN A 65 -4.231 17.343 -0.553 1.00 0.00 N ATOM 1078 CA GLN A 65 -2.916 17.105 -1.120 1.00 0.00 C ATOM 1079 C GLN A 65 -2.273 15.865 -0.514 1.00 0.00 C ATOM 1080 O GLN A 65 -1.679 15.058 -1.225 1.00 0.00 O ATOM 1081 CB GLN A 65 -2.036 18.324 -0.877 1.00 0.00 C ATOM 1082 CG GLN A 65 -2.567 19.608 -1.497 1.00 0.00 C ATOM 1083 CD GLN A 65 -1.668 20.796 -1.216 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -0.457 20.648 -1.065 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -2.246 21.985 -1.145 1.00 0.00 N ATOM 0 H GLN A 65 -4.294 18.191 0.010 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.023 16.936 -2.191 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.926 18.471 0.197 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -1.041 18.125 -1.275 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.664 19.476 -2.575 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.565 19.811 -1.109 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.254 22.071 -1.276 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.683 22.815 -0.960 1.00 0.00 H new ATOM 1094 N VAL A 66 -2.409 15.713 0.799 1.00 0.00 N ATOM 1095 CA VAL A 66 -1.840 14.571 1.500 1.00 0.00 C ATOM 1096 C VAL A 66 -2.423 13.275 0.947 1.00 0.00 C ATOM 1097 O VAL A 66 -1.689 12.361 0.572 1.00 0.00 O ATOM 1098 CB VAL A 66 -2.101 14.651 3.022 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -1.451 13.481 3.746 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -1.594 15.972 3.582 1.00 0.00 C ATOM 0 H VAL A 66 -2.910 16.369 1.399 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.762 14.587 1.340 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.177 14.596 3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.649 13.560 4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.863 12.545 3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.375 13.499 3.574 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.786 16.010 4.654 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.522 16.056 3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.110 16.797 3.091 1.00 0.00 H new ATOM 1110 N ILE A 67 -3.747 13.218 0.866 1.00 0.00 N ATOM 1111 CA ILE A 67 -4.431 12.049 0.331 1.00 0.00 C ATOM 1112 C ILE A 67 -4.072 11.841 -1.143 1.00 0.00 C ATOM 1113 O ILE A 67 -3.890 10.713 -1.589 1.00 0.00 O ATOM 1114 CB ILE A 67 -5.963 12.179 0.474 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -6.340 12.429 1.939 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -6.659 10.929 -0.051 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -7.809 12.721 2.150 1.00 0.00 C ATOM 0 H ILE A 67 -4.368 13.970 1.165 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.100 11.186 0.909 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.295 13.030 -0.121 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.064 11.555 2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.755 13.267 2.317 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.738 11.040 0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.413 10.791 -1.104 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.324 10.061 0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.998 12.887 3.211 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -8.087 13.613 1.588 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.402 11.874 1.804 1.00 0.00 H new ATOM 1129 N ASP A 68 -3.953 12.944 -1.881 1.00 0.00 N ATOM 1130 CA ASP A 68 -3.608 12.897 -3.305 1.00 0.00 C ATOM 1131 C ASP A 68 -2.275 12.203 -3.527 1.00 0.00 C ATOM 1132 O ASP A 68 -2.157 11.301 -4.361 1.00 0.00 O ATOM 1133 CB ASP A 68 -3.532 14.316 -3.876 1.00 0.00 C ATOM 1134 CG ASP A 68 -3.124 14.344 -5.338 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -4.014 14.292 -6.211 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -1.913 14.444 -5.624 1.00 0.00 O ATOM 0 H ASP A 68 -4.091 13.886 -1.516 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.388 12.331 -3.815 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.503 14.799 -3.766 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.818 14.899 -3.294 1.00 0.00 H new ATOM 1141 N LYS A 69 -1.273 12.623 -2.767 1.00 0.00 N ATOM 1142 CA LYS A 69 0.074 12.083 -2.917 1.00 0.00 C ATOM 1143 C LYS A 69 0.137 10.617 -2.497 1.00 0.00 C ATOM 1144 O LYS A 69 0.826 9.817 -3.128 1.00 0.00 O ATOM 1145 CB LYS A 69 1.092 12.914 -2.123 1.00 0.00 C ATOM 1146 CG LYS A 69 1.057 14.395 -2.472 1.00 0.00 C ATOM 1147 CD LYS A 69 0.985 14.609 -3.975 1.00 0.00 C ATOM 1148 CE LYS A 69 0.625 16.044 -4.321 1.00 0.00 C ATOM 1149 NZ LYS A 69 0.164 16.166 -5.728 1.00 0.00 N ATOM 0 H LYS A 69 -1.365 13.334 -2.042 1.00 0.00 H new ATOM 0 HA LYS A 69 0.333 12.141 -3.974 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.898 12.793 -1.057 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.093 12.526 -2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.196 14.863 -1.995 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.946 14.885 -2.075 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.945 14.356 -4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.244 13.934 -4.404 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.158 16.396 -3.649 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.492 16.686 -4.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.201 17.126 -5.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.961 15.984 -6.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.591 15.474 -5.907 1.00 0.00 H new ATOM 1163 N ILE A 70 -0.586 10.264 -1.440 1.00 0.00 N ATOM 1164 CA ILE A 70 -0.653 8.876 -1.001 1.00 0.00 C ATOM 1165 C ILE A 70 -1.384 8.027 -2.039 1.00 0.00 C ATOM 1166 O ILE A 70 -0.948 6.925 -2.375 1.00 0.00 O ATOM 1167 CB ILE A 70 -1.359 8.745 0.370 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -0.582 9.521 1.438 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -1.498 7.279 0.767 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -1.220 9.481 2.812 1.00 0.00 C ATOM 0 H ILE A 70 -1.131 10.915 -0.875 1.00 0.00 H new ATOM 0 HA ILE A 70 0.370 8.517 -0.892 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.360 9.169 0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.428 9.116 1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.488 10.560 1.122 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.997 7.210 1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.087 6.753 0.016 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.509 6.825 0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.611 10.053 3.513 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.219 9.914 2.762 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.289 8.447 3.151 1.00 0.00 H new ATOM 1182 N LEU A 71 -2.480 8.568 -2.561 1.00 0.00 N ATOM 1183 CA LEU A 71 -3.293 7.880 -3.561 1.00 0.00 C ATOM 1184 C LEU A 71 -2.482 7.573 -4.813 1.00 0.00 C ATOM 1185 O LEU A 71 -2.605 6.493 -5.393 1.00 0.00 O ATOM 1186 CB LEU A 71 -4.507 8.733 -3.935 1.00 0.00 C ATOM 1187 CG LEU A 71 -5.865 8.076 -3.695 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -6.983 9.004 -4.129 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -5.955 6.751 -4.433 1.00 0.00 C ATOM 0 H LEU A 71 -2.830 9.491 -2.305 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.629 6.939 -3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.466 9.663 -3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.432 9.000 -4.989 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.971 7.881 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.945 8.523 -3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.930 9.930 -3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.879 9.227 -5.191 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.929 6.298 -4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.829 6.921 -5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.171 6.082 -4.077 1.00 0.00 H new ATOM 1201 N GLU A 72 -1.653 8.523 -5.219 1.00 0.00 N ATOM 1202 CA GLU A 72 -0.842 8.365 -6.417 1.00 0.00 C ATOM 1203 C GLU A 72 0.110 7.189 -6.273 1.00 0.00 C ATOM 1204 O GLU A 72 0.259 6.387 -7.192 1.00 0.00 O ATOM 1205 CB GLU A 72 -0.055 9.639 -6.703 1.00 0.00 C ATOM 1206 CG GLU A 72 0.570 9.663 -8.085 1.00 0.00 C ATOM 1207 CD GLU A 72 0.968 11.057 -8.519 1.00 0.00 C ATOM 1208 OE1 GLU A 72 0.066 11.915 -8.648 1.00 0.00 O ATOM 1209 OE2 GLU A 72 2.171 11.296 -8.758 1.00 0.00 O ATOM 0 H GLU A 72 -1.524 9.412 -4.736 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.513 8.170 -7.254 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.717 10.498 -6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.730 9.748 -5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.449 9.019 -8.093 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.135 9.249 -8.806 1.00 0.00 H new ATOM 1216 N ASP A 73 0.746 7.092 -5.117 1.00 0.00 N ATOM 1217 CA ASP A 73 1.660 5.990 -4.846 1.00 0.00 C ATOM 1218 C ASP A 73 0.949 4.648 -4.916 1.00 0.00 C ATOM 1219 O ASP A 73 1.460 3.710 -5.513 1.00 0.00 O ATOM 1220 CB ASP A 73 2.320 6.133 -3.476 1.00 0.00 C ATOM 1221 CG ASP A 73 3.536 7.033 -3.486 1.00 0.00 C ATOM 1222 OD1 ASP A 73 4.321 6.981 -4.456 1.00 0.00 O ATOM 1223 OD2 ASP A 73 3.722 7.786 -2.509 1.00 0.00 O ATOM 0 H ASP A 73 0.648 7.760 -4.352 1.00 0.00 H new ATOM 0 HA ASP A 73 2.429 6.028 -5.617 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.591 6.528 -2.769 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.611 5.146 -3.116 1.00 0.00 H new ATOM 1228 N GLU A 74 -0.233 4.557 -4.322 1.00 0.00 N ATOM 1229 CA GLU A 74 -0.951 3.289 -4.273 1.00 0.00 C ATOM 1230 C GLU A 74 -1.379 2.845 -5.674 1.00 0.00 C ATOM 1231 O GLU A 74 -1.227 1.678 -6.031 1.00 0.00 O ATOM 1232 CB GLU A 74 -2.166 3.384 -3.350 1.00 0.00 C ATOM 1233 CG GLU A 74 -1.855 3.905 -1.952 1.00 0.00 C ATOM 1234 CD GLU A 74 -0.834 3.069 -1.189 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -0.366 2.023 -1.708 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.485 3.461 -0.051 1.00 0.00 O ATOM 0 H GLU A 74 -0.712 5.337 -3.871 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.271 2.539 -3.870 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.907 4.037 -3.811 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.620 2.397 -3.264 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.485 4.927 -2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.780 3.944 -1.376 1.00 0.00 H new ATOM 1243 N GLU A 75 -1.903 3.782 -6.467 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.240 3.526 -7.850 1.00 0.00 C ATOM 1245 C GLU A 75 -0.992 3.064 -8.608 1.00 0.00 C ATOM 1246 O GLU A 75 -1.042 2.169 -9.453 1.00 0.00 O ATOM 1247 CB GLU A 75 -2.766 4.825 -8.445 1.00 0.00 C ATOM 1248 CG GLU A 75 -3.790 4.636 -9.529 1.00 0.00 C ATOM 1249 CD GLU A 75 -5.170 4.317 -8.989 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -5.824 5.242 -8.459 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -5.590 3.146 -9.062 1.00 0.00 O ATOM 0 H GLU A 75 -2.101 4.734 -6.160 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.995 2.743 -7.926 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.204 5.426 -7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.927 5.393 -8.848 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.843 5.541 -10.134 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.469 3.830 -10.189 1.00 0.00 H new ATOM 1258 N LYS A 76 0.126 3.689 -8.264 1.00 0.00 N ATOM 1259 CA LYS A 76 1.425 3.374 -8.841 1.00 0.00 C ATOM 1260 C LYS A 76 1.871 1.966 -8.447 1.00 0.00 C ATOM 1261 O LYS A 76 2.405 1.221 -9.269 1.00 0.00 O ATOM 1262 CB LYS A 76 2.438 4.403 -8.344 1.00 0.00 C ATOM 1263 CG LYS A 76 3.846 4.221 -8.876 1.00 0.00 C ATOM 1264 CD LYS A 76 4.844 4.995 -8.028 1.00 0.00 C ATOM 1265 CE LYS A 76 4.494 6.472 -7.950 1.00 0.00 C ATOM 1266 NZ LYS A 76 5.318 7.181 -6.938 1.00 0.00 N ATOM 0 H LYS A 76 0.156 4.436 -7.570 1.00 0.00 H new ATOM 0 HA LYS A 76 1.355 3.408 -9.928 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.087 5.398 -8.618 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.469 4.364 -7.255 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.106 3.162 -8.877 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.897 4.563 -9.910 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.870 4.574 -7.023 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.843 4.880 -8.448 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.642 6.933 -8.927 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.438 6.583 -7.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.187 8.208 -7.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.024 6.888 -5.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.321 6.944 -7.079 1.00 0.00 H new ATOM 1280 N HIS A 77 1.646 1.612 -7.187 1.00 0.00 N ATOM 1281 CA HIS A 77 2.011 0.295 -6.679 1.00 0.00 C ATOM 1282 C HIS A 77 1.276 -0.797 -7.444 1.00 0.00 C ATOM 1283 O HIS A 77 1.866 -1.811 -7.819 1.00 0.00 O ATOM 1284 CB HIS A 77 1.702 0.184 -5.180 1.00 0.00 C ATOM 1285 CG HIS A 77 2.499 1.118 -4.318 1.00 0.00 C ATOM 1286 ND1 HIS A 77 2.032 1.559 -3.094 1.00 0.00 N ATOM 1287 CD2 HIS A 77 3.721 1.658 -4.549 1.00 0.00 C ATOM 1288 CE1 HIS A 77 2.983 2.356 -2.620 1.00 0.00 C ATOM 1289 NE2 HIS A 77 4.021 2.443 -3.468 1.00 0.00 N ATOM 0 H HIS A 77 1.210 2.222 -6.495 1.00 0.00 H new ATOM 0 HA HIS A 77 3.083 0.165 -6.824 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.641 0.379 -5.024 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.889 -0.840 -4.857 1.00 0.00 H new ATOM 0 HD1 HIS A 77 1.145 1.323 -2.649 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.340 1.499 -5.420 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.928 2.870 -1.672 1.00 0.00 H new ATOM 0 HE2 HIS A 77 4.871 2.990 -3.332 1.00 0.00 H new ATOM 1297 N ILE A 78 -0.010 -0.575 -7.684 1.00 0.00 N ATOM 1298 CA ILE A 78 -0.813 -1.499 -8.474 1.00 0.00 C ATOM 1299 C ILE A 78 -0.197 -1.678 -9.861 1.00 0.00 C ATOM 1300 O ILE A 78 -0.120 -2.790 -10.380 1.00 0.00 O ATOM 1301 CB ILE A 78 -2.271 -1.003 -8.614 1.00 0.00 C ATOM 1302 CG1 ILE A 78 -2.917 -0.850 -7.234 1.00 0.00 C ATOM 1303 CG2 ILE A 78 -3.082 -1.962 -9.474 1.00 0.00 C ATOM 1304 CD1 ILE A 78 -4.321 -0.282 -7.273 1.00 0.00 C ATOM 0 H ILE A 78 -0.520 0.239 -7.342 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.826 -2.456 -7.953 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.257 -0.029 -9.103 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.943 -1.824 -6.746 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.291 -0.203 -6.620 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.105 -1.596 -9.561 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.635 -2.028 -10.466 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.088 -2.949 -9.012 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.710 -0.204 -6.258 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.301 0.707 -7.731 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.963 -0.940 -7.858 1.00 0.00 H new ATOM 1316 N GLU A 79 0.268 -0.573 -10.432 1.00 0.00 N ATOM 1317 CA GLU A 79 0.901 -0.582 -11.746 1.00 0.00 C ATOM 1318 C GLU A 79 2.196 -1.398 -11.716 1.00 0.00 C ATOM 1319 O GLU A 79 2.474 -2.170 -12.635 1.00 0.00 O ATOM 1320 CB GLU A 79 1.185 0.857 -12.189 1.00 0.00 C ATOM 1321 CG GLU A 79 0.617 1.214 -13.555 1.00 0.00 C ATOM 1322 CD GLU A 79 1.369 0.569 -14.702 1.00 0.00 C ATOM 1323 OE1 GLU A 79 2.434 1.102 -15.092 1.00 0.00 O ATOM 1324 OE2 GLU A 79 0.889 -0.448 -15.238 1.00 0.00 O ATOM 0 H GLU A 79 0.218 0.350 -10.000 1.00 0.00 H new ATOM 0 HA GLU A 79 0.224 -1.049 -12.461 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.774 1.541 -11.447 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.263 1.014 -12.204 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.429 0.909 -13.597 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.638 2.297 -13.678 1.00 0.00 H new ATOM 1331 N TRP A 80 2.979 -1.230 -10.649 1.00 0.00 N ATOM 1332 CA TRP A 80 4.249 -1.946 -10.512 1.00 0.00 C ATOM 1333 C TRP A 80 4.033 -3.455 -10.467 1.00 0.00 C ATOM 1334 O TRP A 80 4.710 -4.211 -11.163 1.00 0.00 O ATOM 1335 CB TRP A 80 4.984 -1.521 -9.237 1.00 0.00 C ATOM 1336 CG TRP A 80 5.588 -0.151 -9.293 1.00 0.00 C ATOM 1337 CD1 TRP A 80 5.646 0.686 -10.371 1.00 0.00 C ATOM 1338 CD2 TRP A 80 6.236 0.536 -8.217 1.00 0.00 C ATOM 1339 NE1 TRP A 80 6.290 1.850 -10.026 1.00 0.00 N ATOM 1340 CE2 TRP A 80 6.663 1.780 -8.710 1.00 0.00 C ATOM 1341 CE3 TRP A 80 6.498 0.215 -6.880 1.00 0.00 C ATOM 1342 CZ2 TRP A 80 7.334 2.707 -7.914 1.00 0.00 C ATOM 1343 CZ3 TRP A 80 7.165 1.133 -6.093 1.00 0.00 C ATOM 1344 CH2 TRP A 80 7.577 2.365 -6.612 1.00 0.00 C ATOM 0 H TRP A 80 2.758 -0.608 -9.871 1.00 0.00 H new ATOM 0 HA TRP A 80 4.850 -1.692 -11.385 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.287 -1.562 -8.400 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.773 -2.244 -9.030 1.00 0.00 H new ATOM 0 HD1 TRP A 80 5.245 0.466 -11.349 1.00 0.00 H new ATOM 0 HE1 TRP A 80 6.462 2.639 -10.649 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.184 -0.734 -6.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 7.650 3.660 -8.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.372 0.896 -5.060 1.00 0.00 H new ATOM 0 HH2 TRP A 80 8.098 3.061 -5.971 1.00 0.00 H new ATOM 1355 N HIS A 81 3.083 -3.889 -9.652 1.00 0.00 N ATOM 1356 CA HIS A 81 2.793 -5.311 -9.511 1.00 0.00 C ATOM 1357 C HIS A 81 2.133 -5.863 -10.769 1.00 0.00 C ATOM 1358 O HIS A 81 2.315 -7.029 -11.118 1.00 0.00 O ATOM 1359 CB HIS A 81 1.924 -5.571 -8.277 1.00 0.00 C ATOM 1360 CG HIS A 81 2.650 -5.352 -6.984 1.00 0.00 C ATOM 1361 ND1 HIS A 81 3.474 -6.289 -6.398 1.00 0.00 N ATOM 1362 CD2 HIS A 81 2.689 -4.264 -6.174 1.00 0.00 C ATOM 1363 CE1 HIS A 81 3.982 -5.751 -5.283 1.00 0.00 C ATOM 1364 NE2 HIS A 81 3.534 -4.523 -5.099 1.00 0.00 N ATOM 0 H HIS A 81 2.500 -3.279 -9.079 1.00 0.00 H new ATOM 0 HA HIS A 81 3.739 -5.834 -9.374 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.052 -4.918 -8.311 1.00 0.00 H new ATOM 0 HB3 HIS A 81 1.556 -6.596 -8.310 1.00 0.00 H new ATOM 0 HD1 HIS A 81 3.663 -7.227 -6.752 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.150 -3.343 -6.338 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.669 -6.256 -4.620 1.00 0.00 H new ATOM 1372 N LYS A 82 1.375 -5.011 -11.446 1.00 0.00 N ATOM 1373 CA LYS A 82 0.712 -5.377 -12.690 1.00 0.00 C ATOM 1374 C LYS A 82 1.732 -5.663 -13.788 1.00 0.00 C ATOM 1375 O LYS A 82 1.626 -6.652 -14.506 1.00 0.00 O ATOM 1376 CB LYS A 82 -0.223 -4.249 -13.125 1.00 0.00 C ATOM 1377 CG LYS A 82 -0.953 -4.511 -14.429 1.00 0.00 C ATOM 1378 CD LYS A 82 -1.781 -3.307 -14.836 1.00 0.00 C ATOM 1379 CE LYS A 82 -2.472 -3.526 -16.167 1.00 0.00 C ATOM 1380 NZ LYS A 82 -3.237 -2.328 -16.589 1.00 0.00 N ATOM 0 H LYS A 82 1.203 -4.050 -11.150 1.00 0.00 H new ATOM 0 HA LYS A 82 0.133 -6.284 -12.520 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.958 -4.079 -12.339 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.356 -3.331 -13.224 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.233 -4.744 -15.213 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.599 -5.382 -14.320 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.527 -3.102 -14.068 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.139 -2.428 -14.899 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.730 -3.771 -16.927 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.145 -4.380 -16.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.696 -2.514 -17.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.961 -2.110 -15.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.590 -1.519 -16.685 1.00 0.00 H new ATOM 1394 N ALA A 83 2.719 -4.790 -13.913 1.00 0.00 N ATOM 1395 CA ALA A 83 3.766 -4.959 -14.910 1.00 0.00 C ATOM 1396 C ALA A 83 4.699 -6.110 -14.538 1.00 0.00 C ATOM 1397 O ALA A 83 5.243 -6.792 -15.406 1.00 0.00 O ATOM 1398 CB ALA A 83 4.553 -3.668 -15.066 1.00 0.00 C ATOM 0 H ALA A 83 2.818 -3.955 -13.335 1.00 0.00 H new ATOM 0 HA ALA A 83 3.294 -5.203 -15.862 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.334 -3.806 -15.814 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.883 -2.869 -15.384 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.008 -3.402 -14.112 1.00 0.00 H new ATOM 1404 N ALA A 84 4.902 -6.299 -13.240 1.00 0.00 N ATOM 1405 CA ALA A 84 5.788 -7.346 -12.735 1.00 0.00 C ATOM 1406 C ALA A 84 5.202 -8.750 -12.900 1.00 0.00 C ATOM 1407 O ALA A 84 5.946 -9.721 -13.046 1.00 0.00 O ATOM 1408 CB ALA A 84 6.127 -7.089 -11.278 1.00 0.00 C ATOM 0 H ALA A 84 4.462 -5.737 -12.511 1.00 0.00 H new ATOM 0 HA ALA A 84 6.697 -7.308 -13.336 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.787 -7.876 -10.914 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.626 -6.124 -11.185 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.211 -7.082 -10.687 1.00 0.00 H new ATOM 1485 N ALA A 90 11.899 -14.818 -7.450 1.00 0.00 N ATOM 1486 CA ALA A 90 11.883 -14.514 -6.018 1.00 0.00 C ATOM 1487 C ALA A 90 12.636 -13.237 -5.651 1.00 0.00 C ATOM 1488 O ALA A 90 12.062 -12.327 -5.053 1.00 0.00 O ATOM 1489 CB ALA A 90 12.440 -15.691 -5.238 1.00 0.00 C ATOM 0 HA ALA A 90 10.841 -14.338 -5.750 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.426 -15.461 -4.173 1.00 0.00 H new ATOM 0 HB2 ALA A 90 11.829 -16.574 -5.426 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.465 -15.885 -5.554 1.00 0.00 H new ATOM 1495 N GLU A 91 13.908 -13.165 -6.007 1.00 0.00 N ATOM 1496 CA GLU A 91 14.756 -12.054 -5.611 1.00 0.00 C ATOM 1497 C GLU A 91 14.255 -10.717 -6.155 1.00 0.00 C ATOM 1498 O GLU A 91 14.127 -9.742 -5.409 1.00 0.00 O ATOM 1499 CB GLU A 91 16.181 -12.291 -6.094 1.00 0.00 C ATOM 1500 CG GLU A 91 16.830 -13.541 -5.521 1.00 0.00 C ATOM 1501 CD GLU A 91 16.654 -14.748 -6.418 1.00 0.00 C ATOM 1502 OE1 GLU A 91 15.539 -15.292 -6.485 1.00 0.00 O ATOM 1503 OE2 GLU A 91 17.644 -15.157 -7.064 1.00 0.00 O ATOM 0 H GLU A 91 14.379 -13.870 -6.575 1.00 0.00 H new ATOM 0 HA GLU A 91 14.729 -12.002 -4.523 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.178 -12.362 -7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.790 -11.426 -5.833 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.894 -13.357 -5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.400 -13.754 -4.542 1.00 0.00 H new ATOM 1510 N GLN A 92 13.965 -10.670 -7.445 1.00 0.00 N ATOM 1511 CA GLN A 92 13.499 -9.434 -8.064 1.00 0.00 C ATOM 1512 C GLN A 92 12.092 -9.087 -7.588 1.00 0.00 C ATOM 1513 O GLN A 92 11.733 -7.910 -7.494 1.00 0.00 O ATOM 1514 CB GLN A 92 13.581 -9.512 -9.600 1.00 0.00 C ATOM 1515 CG GLN A 92 12.766 -10.628 -10.243 1.00 0.00 C ATOM 1516 CD GLN A 92 11.320 -10.253 -10.521 1.00 0.00 C ATOM 1517 OE1 GLN A 92 11.070 -8.977 -10.759 1.00 0.00 O flip ATOM 1518 NE2 GLN A 92 10.435 -11.107 -10.525 1.00 0.00 N flip ATOM 0 H GLN A 92 14.042 -11.464 -8.081 1.00 0.00 H new ATOM 0 HA GLN A 92 14.161 -8.627 -7.750 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.250 -8.559 -10.013 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.626 -9.638 -9.885 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.242 -10.919 -11.179 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.786 -11.501 -9.591 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.667 -12.082 -10.337 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.469 -10.840 -10.717 1.00 0.00 H new ATOM 1527 N PHE A 93 11.302 -10.106 -7.272 1.00 0.00 N ATOM 1528 CA PHE A 93 9.971 -9.892 -6.726 1.00 0.00 C ATOM 1529 C PHE A 93 10.084 -9.298 -5.325 1.00 0.00 C ATOM 1530 O PHE A 93 9.376 -8.352 -4.979 1.00 0.00 O ATOM 1531 CB PHE A 93 9.187 -11.206 -6.685 1.00 0.00 C ATOM 1532 CG PHE A 93 7.740 -11.033 -6.318 1.00 0.00 C ATOM 1533 CD1 PHE A 93 6.837 -10.525 -7.238 1.00 0.00 C ATOM 1534 CD2 PHE A 93 7.287 -11.370 -5.055 1.00 0.00 C ATOM 1535 CE1 PHE A 93 5.507 -10.363 -6.906 1.00 0.00 C ATOM 1536 CE2 PHE A 93 5.957 -11.209 -4.717 1.00 0.00 C ATOM 1537 CZ PHE A 93 5.067 -10.703 -5.642 1.00 0.00 C ATOM 0 H PHE A 93 11.561 -11.086 -7.385 1.00 0.00 H new ATOM 0 HA PHE A 93 9.432 -9.196 -7.369 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.250 -11.688 -7.661 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.657 -11.878 -5.967 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.178 -10.253 -8.226 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.980 -11.763 -4.326 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.812 -9.971 -7.634 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.614 -11.479 -3.729 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.028 -10.573 -5.378 1.00 0.00 H new ATOM 1547 N ALA A 94 10.997 -9.854 -4.535 1.00 0.00 N ATOM 1548 CA ALA A 94 11.269 -9.356 -3.191 1.00 0.00 C ATOM 1549 C ALA A 94 11.733 -7.905 -3.235 1.00 0.00 C ATOM 1550 O ALA A 94 11.396 -7.112 -2.362 1.00 0.00 O ATOM 1551 CB ALA A 94 12.316 -10.220 -2.504 1.00 0.00 C ATOM 0 H ALA A 94 11.565 -10.657 -4.806 1.00 0.00 H new ATOM 0 HA ALA A 94 10.343 -9.405 -2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 94 12.506 -9.834 -1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.953 -11.245 -2.434 1.00 0.00 H new ATOM 0 HB3 ALA A 94 13.240 -10.201 -3.082 1.00 0.00 H new ATOM 1557 N SER A 95 12.504 -7.567 -4.264 1.00 0.00 N ATOM 1558 CA SER A 95 12.990 -6.214 -4.448 1.00 0.00 C ATOM 1559 C SER A 95 11.823 -5.236 -4.611 1.00 0.00 C ATOM 1560 O SER A 95 11.819 -4.154 -4.023 1.00 0.00 O ATOM 1561 CB SER A 95 13.905 -6.167 -5.669 1.00 0.00 C ATOM 1562 OG SER A 95 14.997 -7.066 -5.527 1.00 0.00 O ATOM 0 H SER A 95 12.805 -8.222 -4.986 1.00 0.00 H new ATOM 0 HA SER A 95 13.554 -5.915 -3.565 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.336 -6.420 -6.563 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.281 -5.153 -5.807 1.00 0.00 H new ATOM 0 HG SER A 95 14.667 -7.988 -5.552 1.00 0.00 H new ATOM 1568 N LEU A 96 10.828 -5.637 -5.396 1.00 0.00 N ATOM 1569 CA LEU A 96 9.633 -4.826 -5.604 1.00 0.00 C ATOM 1570 C LEU A 96 8.886 -4.628 -4.289 1.00 0.00 C ATOM 1571 O LEU A 96 8.511 -3.510 -3.933 1.00 0.00 O ATOM 1572 CB LEU A 96 8.720 -5.500 -6.631 1.00 0.00 C ATOM 1573 CG LEU A 96 7.388 -4.793 -6.906 1.00 0.00 C ATOM 1574 CD1 LEU A 96 7.623 -3.365 -7.376 1.00 0.00 C ATOM 1575 CD2 LEU A 96 6.586 -5.566 -7.939 1.00 0.00 C ATOM 0 H LEU A 96 10.826 -6.523 -5.901 1.00 0.00 H new ATOM 0 HA LEU A 96 9.935 -3.849 -5.980 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.264 -5.587 -7.571 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.508 -6.514 -6.291 1.00 0.00 H new ATOM 0 HG LEU A 96 6.819 -4.757 -5.977 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.664 -2.882 -7.565 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.162 -2.813 -6.606 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.211 -3.376 -8.294 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.642 -5.053 -8.125 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.154 -5.630 -8.867 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.386 -6.571 -7.567 1.00 0.00 H new ATOM 1587 N VAL A 97 8.698 -5.723 -3.568 1.00 0.00 N ATOM 1588 CA VAL A 97 8.011 -5.701 -2.283 1.00 0.00 C ATOM 1589 C VAL A 97 8.761 -4.826 -1.275 1.00 0.00 C ATOM 1590 O VAL A 97 8.155 -4.067 -0.518 1.00 0.00 O ATOM 1591 CB VAL A 97 7.857 -7.131 -1.722 1.00 0.00 C ATOM 1592 CG1 VAL A 97 7.168 -7.116 -0.370 1.00 0.00 C ATOM 1593 CG2 VAL A 97 7.089 -8.007 -2.704 1.00 0.00 C ATOM 0 H VAL A 97 9.015 -6.649 -3.855 1.00 0.00 H new ATOM 0 HA VAL A 97 7.020 -5.276 -2.444 1.00 0.00 H new ATOM 0 HB VAL A 97 8.854 -7.551 -1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 97 7.073 -8.136 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.758 -6.528 0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.177 -6.673 -0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 97 6.989 -9.012 -2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.099 -7.583 -2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.629 -8.053 -3.650 1.00 0.00 H new ATOM 1603 N GLN A 98 10.084 -4.924 -1.298 1.00 0.00 N ATOM 1604 CA GLN A 98 10.939 -4.162 -0.394 1.00 0.00 C ATOM 1605 C GLN A 98 10.738 -2.657 -0.586 1.00 0.00 C ATOM 1606 O GLN A 98 10.584 -1.911 0.382 1.00 0.00 O ATOM 1607 CB GLN A 98 12.406 -4.531 -0.642 1.00 0.00 C ATOM 1608 CG GLN A 98 13.380 -3.914 0.349 1.00 0.00 C ATOM 1609 CD GLN A 98 14.826 -4.168 -0.037 1.00 0.00 C ATOM 1610 OE1 GLN A 98 15.442 -3.372 -0.745 1.00 0.00 O ATOM 1611 NE2 GLN A 98 15.382 -5.276 0.423 1.00 0.00 N ATOM 0 H GLN A 98 10.594 -5.531 -1.940 1.00 0.00 H new ATOM 0 HA GLN A 98 10.668 -4.411 0.632 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.507 -5.616 -0.606 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.682 -4.218 -1.649 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.204 -2.840 0.408 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.193 -4.323 1.342 1.00 0.00 H new ATOM 0 HE21 GLN A 98 14.841 -5.913 1.008 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.352 -5.493 0.193 1.00 0.00 H new ATOM 1620 N GLN A 99 10.719 -2.219 -1.840 1.00 0.00 N ATOM 1621 CA GLN A 99 10.582 -0.800 -2.152 1.00 0.00 C ATOM 1622 C GLN A 99 9.157 -0.316 -1.885 1.00 0.00 C ATOM 1623 O GLN A 99 8.950 0.822 -1.458 1.00 0.00 O ATOM 1624 CB GLN A 99 10.983 -0.536 -3.604 1.00 0.00 C ATOM 1625 CG GLN A 99 12.402 -0.989 -3.921 1.00 0.00 C ATOM 1626 CD GLN A 99 12.831 -0.671 -5.341 1.00 0.00 C ATOM 1627 OE1 GLN A 99 12.360 0.444 -5.872 1.00 0.00 O flip ATOM 1628 NE2 GLN A 99 13.607 -1.411 -5.949 1.00 0.00 N flip ATOM 0 H GLN A 99 10.797 -2.825 -2.657 1.00 0.00 H new ATOM 0 HA GLN A 99 11.252 -0.239 -1.500 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.287 -1.050 -4.267 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.893 0.530 -3.812 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.092 -0.512 -3.225 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.478 -2.064 -3.758 1.00 0.00 H new ATOM 0 HE21 GLN A 99 13.950 -2.264 -5.507 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.906 -1.170 -6.894 1.00 0.00 H new ATOM 1637 N HIS A 100 8.183 -1.183 -2.138 1.00 0.00 N ATOM 1638 CA HIS A 100 6.784 -0.894 -1.832 1.00 0.00 C ATOM 1639 C HIS A 100 6.622 -0.714 -0.322 1.00 0.00 C ATOM 1640 O HIS A 100 5.928 0.192 0.144 1.00 0.00 O ATOM 1641 CB HIS A 100 5.901 -2.048 -2.341 1.00 0.00 C ATOM 1642 CG HIS A 100 4.418 -1.809 -2.270 1.00 0.00 C ATOM 1643 ND1 HIS A 100 3.490 -2.601 -2.912 1.00 0.00 N ATOM 1644 CD2 HIS A 100 3.701 -0.869 -1.602 1.00 0.00 C ATOM 1645 CE1 HIS A 100 2.273 -2.133 -2.621 1.00 0.00 C ATOM 1646 NE2 HIS A 100 2.340 -1.077 -1.828 1.00 0.00 N ATOM 0 H HIS A 100 8.337 -2.100 -2.558 1.00 0.00 H new ATOM 0 HA HIS A 100 6.475 0.026 -2.328 1.00 0.00 H new ATOM 0 HB2 HIS A 100 6.168 -2.257 -3.377 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.135 -2.943 -1.764 1.00 0.00 H new ATOM 0 HD1 HIS A 100 3.697 -3.404 -3.506 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.119 -0.083 -0.991 1.00 0.00 H new ATOM 0 HE1 HIS A 100 1.352 -2.562 -2.987 1.00 0.00 H new ATOM 0 HE2 HIS A 100 1.562 -0.530 -1.460 1.00 0.00 H new ATOM 1654 N LEU A 101 7.298 -1.573 0.434 1.00 0.00 N ATOM 1655 CA LEU A 101 7.255 -1.541 1.892 1.00 0.00 C ATOM 1656 C LEU A 101 7.711 -0.176 2.412 1.00 0.00 C ATOM 1657 O LEU A 101 7.096 0.397 3.312 1.00 0.00 O ATOM 1658 CB LEU A 101 8.147 -2.654 2.453 1.00 0.00 C ATOM 1659 CG LEU A 101 7.615 -3.383 3.690 1.00 0.00 C ATOM 1660 CD1 LEU A 101 8.492 -4.583 4.014 1.00 0.00 C ATOM 1661 CD2 LEU A 101 7.545 -2.450 4.887 1.00 0.00 C ATOM 0 H LEU A 101 7.891 -2.311 0.054 1.00 0.00 H new ATOM 0 HA LEU A 101 6.229 -1.703 2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.314 -3.390 1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.118 -2.225 2.699 1.00 0.00 H new ATOM 0 HG LEU A 101 6.606 -3.729 3.468 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.102 -5.091 4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.493 -5.271 3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.510 -4.247 4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.164 -2.994 5.751 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.541 -2.068 5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.879 -1.617 4.661 1.00 0.00 H new ATOM 1673 N GLN A 102 8.790 0.341 1.833 1.00 0.00 N ATOM 1674 CA GLN A 102 9.334 1.623 2.209 1.00 0.00 C ATOM 1675 C GLN A 102 8.340 2.753 1.941 1.00 0.00 C ATOM 1676 O GLN A 102 8.238 3.701 2.719 1.00 0.00 O ATOM 1677 CB GLN A 102 10.619 1.845 1.424 1.00 0.00 C ATOM 1678 CG GLN A 102 11.742 0.879 1.785 1.00 0.00 C ATOM 1679 CD GLN A 102 12.250 1.051 3.209 1.00 0.00 C ATOM 1680 OE1 GLN A 102 11.508 1.441 4.107 1.00 0.00 O ATOM 1681 NE2 GLN A 102 13.525 0.769 3.418 1.00 0.00 N ATOM 0 H GLN A 102 9.307 -0.126 1.088 1.00 0.00 H new ATOM 0 HA GLN A 102 9.540 1.627 3.279 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.403 1.753 0.360 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.963 2.865 1.592 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.388 -0.144 1.654 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.571 1.021 1.091 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.109 0.448 2.646 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.924 0.873 4.351 1.00 0.00 H new ATOM 1690 N ASP A 103 7.602 2.640 0.840 1.00 0.00 N ATOM 1691 CA ASP A 103 6.608 3.645 0.474 1.00 0.00 C ATOM 1692 C ASP A 103 5.489 3.708 1.499 1.00 0.00 C ATOM 1693 O ASP A 103 5.136 4.784 1.981 1.00 0.00 O ATOM 1694 CB ASP A 103 6.006 3.348 -0.903 1.00 0.00 C ATOM 1695 CG ASP A 103 6.701 4.083 -2.031 1.00 0.00 C ATOM 1696 OD1 ASP A 103 7.246 5.184 -1.793 1.00 0.00 O ATOM 1697 OD2 ASP A 103 6.686 3.569 -3.168 1.00 0.00 O ATOM 0 H ASP A 103 7.674 1.861 0.185 1.00 0.00 H new ATOM 0 HA ASP A 103 7.121 4.606 0.444 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.058 2.276 -1.091 1.00 0.00 H new ATOM 0 HB3 ASP A 103 4.951 3.620 -0.897 1.00 0.00 H new ATOM 1702 N GLU A 104 4.941 2.549 1.840 1.00 0.00 N ATOM 1703 CA GLU A 104 3.815 2.485 2.762 1.00 0.00 C ATOM 1704 C GLU A 104 4.202 3.015 4.139 1.00 0.00 C ATOM 1705 O GLU A 104 3.400 3.666 4.805 1.00 0.00 O ATOM 1706 CB GLU A 104 3.285 1.053 2.872 1.00 0.00 C ATOM 1707 CG GLU A 104 2.834 0.455 1.545 1.00 0.00 C ATOM 1708 CD GLU A 104 1.751 1.266 0.849 1.00 0.00 C ATOM 1709 OE1 GLU A 104 1.245 2.249 1.442 1.00 0.00 O ATOM 1710 OE2 GLU A 104 1.396 0.931 -0.306 1.00 0.00 O ATOM 0 H GLU A 104 5.257 1.643 1.493 1.00 0.00 H new ATOM 0 HA GLU A 104 3.022 3.119 2.364 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.064 0.420 3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.447 1.039 3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.695 0.371 0.883 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.465 -0.556 1.718 1.00 0.00 H new ATOM 1717 N GLN A 105 5.438 2.754 4.555 1.00 0.00 N ATOM 1718 CA GLN A 105 5.931 3.247 5.827 1.00 0.00 C ATOM 1719 C GLN A 105 5.974 4.771 5.836 1.00 0.00 C ATOM 1720 O GLN A 105 5.642 5.400 6.838 1.00 0.00 O ATOM 1721 CB GLN A 105 7.314 2.666 6.114 1.00 0.00 C ATOM 1722 CG GLN A 105 7.294 1.175 6.413 1.00 0.00 C ATOM 1723 CD GLN A 105 8.664 0.628 6.760 1.00 0.00 C ATOM 1724 OE1 GLN A 105 9.056 0.598 7.926 1.00 0.00 O ATOM 1725 NE2 GLN A 105 9.398 0.184 5.751 1.00 0.00 N ATOM 0 H GLN A 105 6.113 2.203 4.025 1.00 0.00 H new ATOM 0 HA GLN A 105 5.248 2.926 6.613 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.961 2.848 5.256 1.00 0.00 H new ATOM 0 HB3 GLN A 105 7.752 3.193 6.962 1.00 0.00 H new ATOM 0 HG2 GLN A 105 6.611 0.984 7.241 1.00 0.00 H new ATOM 0 HG3 GLN A 105 6.903 0.641 5.547 1.00 0.00 H new ATOM 0 HE21 GLN A 105 9.035 0.227 4.799 1.00 0.00 H new ATOM 0 HE22 GLN A 105 10.326 -0.201 5.926 1.00 0.00 H new ATOM 1734 N ARG A 106 6.363 5.360 4.710 1.00 0.00 N ATOM 1735 CA ARG A 106 6.404 6.814 4.571 1.00 0.00 C ATOM 1736 C ARG A 106 4.992 7.403 4.606 1.00 0.00 C ATOM 1737 O ARG A 106 4.784 8.508 5.109 1.00 0.00 O ATOM 1738 CB ARG A 106 7.118 7.197 3.271 1.00 0.00 C ATOM 1739 CG ARG A 106 7.103 8.688 2.971 1.00 0.00 C ATOM 1740 CD ARG A 106 7.831 9.005 1.673 1.00 0.00 C ATOM 1741 NE ARG A 106 7.393 8.142 0.571 1.00 0.00 N ATOM 1742 CZ ARG A 106 6.308 8.359 -0.172 1.00 0.00 C ATOM 1743 NH1 ARG A 106 5.527 9.406 0.077 1.00 0.00 N ATOM 1744 NH2 ARG A 106 5.996 7.520 -1.157 1.00 0.00 N ATOM 0 H ARG A 106 6.656 4.851 3.876 1.00 0.00 H new ATOM 0 HA ARG A 106 6.961 7.228 5.411 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.153 6.858 3.324 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.651 6.666 2.442 1.00 0.00 H new ATOM 0 HG2 ARG A 106 6.072 9.036 2.905 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.571 9.230 3.793 1.00 0.00 H new ATOM 0 HD2 ARG A 106 7.659 10.048 1.407 1.00 0.00 H new ATOM 0 HD3 ARG A 106 8.904 8.887 1.821 1.00 0.00 H new ATOM 0 HE ARG A 106 7.957 7.319 0.359 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.758 10.045 0.838 1.00 0.00 H new ATOM 0 HH12 ARG A 106 4.697 9.570 -0.493 1.00 0.00 H new ATOM 0 HH21 ARG A 106 6.587 6.710 -1.344 1.00 0.00 H new ATOM 0 HH22 ARG A 106 5.165 7.687 -1.725 1.00 0.00 H new ATOM 1758 N HIS A 107 4.027 6.657 4.077 1.00 0.00 N ATOM 1759 CA HIS A 107 2.627 7.066 4.143 1.00 0.00 C ATOM 1760 C HIS A 107 2.179 7.107 5.597 1.00 0.00 C ATOM 1761 O HIS A 107 1.543 8.063 6.041 1.00 0.00 O ATOM 1762 CB HIS A 107 1.729 6.109 3.346 1.00 0.00 C ATOM 1763 CG HIS A 107 2.023 6.061 1.876 1.00 0.00 C ATOM 1764 ND1 HIS A 107 1.601 5.008 1.087 1.00 0.00 N ATOM 1765 CD2 HIS A 107 2.685 6.957 1.103 1.00 0.00 C ATOM 1766 CE1 HIS A 107 2.018 5.295 -0.138 1.00 0.00 C ATOM 1767 NE2 HIS A 107 2.677 6.461 -0.173 1.00 0.00 N ATOM 0 H HIS A 107 4.187 5.770 3.600 1.00 0.00 H new ATOM 0 HA HIS A 107 2.537 8.058 3.700 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.833 5.105 3.758 1.00 0.00 H new ATOM 0 HB3 HIS A 107 0.689 6.405 3.486 1.00 0.00 H new ATOM 0 HD1 HIS A 107 1.079 4.184 1.384 1.00 0.00 H new ATOM 0 HD2 HIS A 107 3.132 7.884 1.431 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.848 4.667 -1.000 1.00 0.00 H new ATOM 0 HE2 HIS A 107 3.094 6.897 -0.995 1.00 0.00 H new ATOM 1775 N VAL A 108 2.535 6.061 6.339 1.00 0.00 N ATOM 1776 CA VAL A 108 2.280 6.010 7.774 1.00 0.00 C ATOM 1777 C VAL A 108 2.971 7.178 8.476 1.00 0.00 C ATOM 1778 O VAL A 108 2.401 7.805 9.366 1.00 0.00 O ATOM 1779 CB VAL A 108 2.775 4.677 8.382 1.00 0.00 C ATOM 1780 CG1 VAL A 108 2.590 4.653 9.894 1.00 0.00 C ATOM 1781 CG2 VAL A 108 2.058 3.501 7.735 1.00 0.00 C ATOM 0 H VAL A 108 3.003 5.235 5.967 1.00 0.00 H new ATOM 0 HA VAL A 108 1.203 6.081 7.923 1.00 0.00 H new ATOM 0 HB VAL A 108 3.842 4.591 8.178 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.948 3.702 10.289 1.00 0.00 H new ATOM 0 HG12 VAL A 108 3.156 5.469 10.343 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.533 4.770 10.133 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.417 2.570 8.173 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.985 3.591 7.904 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.258 3.498 6.663 1.00 0.00 H new ATOM 1791 N GLU A 109 4.196 7.468 8.048 1.00 0.00 N ATOM 1792 CA GLU A 109 4.980 8.571 8.587 1.00 0.00 C ATOM 1793 C GLU A 109 4.250 9.905 8.445 1.00 0.00 C ATOM 1794 O GLU A 109 4.320 10.756 9.336 1.00 0.00 O ATOM 1795 CB GLU A 109 6.337 8.633 7.881 1.00 0.00 C ATOM 1796 CG GLU A 109 7.301 7.540 8.306 1.00 0.00 C ATOM 1797 CD GLU A 109 7.478 7.477 9.807 1.00 0.00 C ATOM 1798 OE1 GLU A 109 7.990 8.454 10.393 1.00 0.00 O ATOM 1799 OE2 GLU A 109 7.098 6.455 10.412 1.00 0.00 O ATOM 0 H GLU A 109 4.673 6.942 7.315 1.00 0.00 H new ATOM 0 HA GLU A 109 5.130 8.390 9.652 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.179 8.566 6.805 1.00 0.00 H new ATOM 0 HB3 GLU A 109 6.794 9.603 8.077 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.937 6.578 7.945 1.00 0.00 H new ATOM 0 HG3 GLU A 109 8.269 7.711 7.836 1.00 0.00 H new ATOM 1806 N GLU A 110 3.554 10.084 7.328 1.00 0.00 N ATOM 1807 CA GLU A 110 2.785 11.299 7.092 1.00 0.00 C ATOM 1808 C GLU A 110 1.560 11.357 8.000 1.00 0.00 C ATOM 1809 O GLU A 110 1.297 12.380 8.632 1.00 0.00 O ATOM 1810 CB GLU A 110 2.357 11.388 5.629 1.00 0.00 C ATOM 1811 CG GLU A 110 3.150 12.403 4.821 1.00 0.00 C ATOM 1812 CD GLU A 110 3.102 13.790 5.431 1.00 0.00 C ATOM 1813 OE1 GLU A 110 2.020 14.414 5.428 1.00 0.00 O ATOM 1814 OE2 GLU A 110 4.150 14.271 5.910 1.00 0.00 O ATOM 0 H GLU A 110 3.507 9.402 6.571 1.00 0.00 H new ATOM 0 HA GLU A 110 3.426 12.150 7.324 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.464 10.406 5.168 1.00 0.00 H new ATOM 0 HB3 GLU A 110 1.299 11.648 5.584 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.187 12.076 4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 110 2.757 12.442 3.805 1.00 0.00 H new ATOM 1821 N ILE A 111 0.823 10.250 8.074 1.00 0.00 N ATOM 1822 CA ILE A 111 -0.370 10.177 8.914 1.00 0.00 C ATOM 1823 C ILE A 111 -0.010 10.370 10.386 1.00 0.00 C ATOM 1824 O ILE A 111 -0.690 11.092 11.118 1.00 0.00 O ATOM 1825 CB ILE A 111 -1.107 8.830 8.731 1.00 0.00 C ATOM 1826 CG1 ILE A 111 -1.510 8.640 7.264 1.00 0.00 C ATOM 1827 CG2 ILE A 111 -2.330 8.763 9.638 1.00 0.00 C ATOM 1828 CD1 ILE A 111 -2.155 7.300 6.976 1.00 0.00 C ATOM 0 H ILE A 111 1.031 9.392 7.563 1.00 0.00 H new ATOM 0 HA ILE A 111 -1.036 10.981 8.601 1.00 0.00 H new ATOM 0 HB ILE A 111 -0.431 8.022 9.011 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.201 9.434 6.981 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -0.625 8.749 6.637 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.836 7.808 9.496 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.017 8.857 10.678 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.012 9.576 9.390 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.412 7.240 5.918 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -1.459 6.500 7.226 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.059 7.195 7.576 1.00 0.00 H new ATOM 1840 N GLU A 112 1.080 9.746 10.806 1.00 0.00 N ATOM 1841 CA GLU A 112 1.562 9.870 12.166 1.00 0.00 C ATOM 1842 C GLU A 112 1.950 11.311 12.479 1.00 0.00 C ATOM 1843 O GLU A 112 1.723 11.797 13.587 1.00 0.00 O ATOM 1844 CB GLU A 112 2.751 8.940 12.365 1.00 0.00 C ATOM 1845 CG GLU A 112 2.359 7.503 12.668 1.00 0.00 C ATOM 1846 CD GLU A 112 1.759 7.350 14.052 1.00 0.00 C ATOM 1847 OE1 GLU A 112 2.534 7.277 15.027 1.00 0.00 O ATOM 1848 OE2 GLU A 112 0.519 7.317 14.174 1.00 0.00 O ATOM 0 H GLU A 112 1.651 9.143 10.214 1.00 0.00 H new ATOM 0 HA GLU A 112 0.763 9.587 12.852 1.00 0.00 H new ATOM 0 HB2 GLU A 112 3.369 8.957 11.467 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.365 9.320 13.182 1.00 0.00 H new ATOM 0 HG2 GLU A 112 1.641 7.160 11.923 1.00 0.00 H new ATOM 0 HG3 GLU A 112 3.237 6.863 12.582 1.00 0.00 H new