USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 835 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 69 CYS SG : rot -73:sc= -1.62! USER MOD Set 1.2: A 120 GLN : amide:sc= -1.76! C(o=-3.4!,f=-5.1!) USER MOD Set 2.1: A 19 THR OG1 : rot 78:sc= 0.136 USER MOD Set 2.2: A 36 THR OG1 : rot 136:sc= 0.17 USER MOD Set 2.3: A 49 GLN : amide:sc= -2.84 K(o=-2.7,f=-1.1) USER MOD Set 2.4: A 56 HIS : no HE2:sc= -0.126 X(o=-2.7,f=-2.2) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl -147:sc= -0.0695 (180deg=-1.15) USER MOD Single : A 25 MET CE :methyl -159:sc= -0.0386 (180deg=-1.09) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot -4:sc= -2.39! USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 41 ASN : amide:sc= -1.7! K(o=-1.7!,f=-0.021) USER MOD Single : A 43 GLN : amide:sc= -3.64! C(o=-3.6!,f=-2!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -1.62 K(o=-1.6,f=-0.98) USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= -0.0288 (180deg=-0.366) USER MOD Single : A 55 GLN : amide:sc= -0.743 K(o=-0.74,f=-0.16) USER MOD Single : A 58 GLN : amide:sc= -5.61! K(o=-5.6!,f=-0.84) USER MOD Single : A 64 ASN : amide:sc= -3.75! C(o=-3.7!,f=-4.6!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 71 GLN : amide:sc= -12.1! K(o=-12!,f=-6.1) USER MOD Single : A 83 SER OG : rot 140:sc= -0.47 USER MOD Single : A 84 ASN : amide:sc= -5.13! C(o=-5.1!,f=-6.5!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 108 HIS : no HD1:sc= -0.571 X(o=-0.57,f=-0.076) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 66:sc= 1.25 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= -0.139 K(o=-0.14,f=-0.75) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 9 -1.725 2.046 15.194 1.00 1.00 N ATOM 108 CA PRO A 9 -0.582 2.980 14.944 1.00 1.00 C ATOM 109 C PRO A 9 -0.901 3.993 13.843 1.00 1.00 C ATOM 110 O PRO A 9 -0.300 5.067 13.778 1.00 1.00 O ATOM 111 CB PRO A 9 0.570 2.047 14.526 1.00 1.00 C ATOM 112 CG PRO A 9 -0.090 0.789 14.059 1.00 1.00 C ATOM 113 CD PRO A 9 -1.361 0.652 14.888 1.00 1.00 C ATOM 0 HA PRO A 9 -0.344 3.583 15.820 1.00 1.00 H new ATOM 0 HB2 PRO A 9 1.170 2.494 13.733 1.00 1.00 H new ATOM 0 HB3 PRO A 9 1.241 1.852 15.362 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -0.321 0.841 12.995 1.00 1.00 H new ATOM 0 HG3 PRO A 9 0.564 -0.071 14.201 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -2.149 0.144 14.333 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -1.188 0.074 15.796 1.00 1.00 H new ATOM 121 N LEU A 10 -1.843 3.635 12.980 1.00 1.00 N ATOM 122 CA LEU A 10 -2.234 4.513 11.882 1.00 1.00 C ATOM 123 C LEU A 10 -2.914 5.769 12.433 1.00 1.00 C ATOM 124 O LEU A 10 -3.566 5.709 13.475 1.00 1.00 O ATOM 125 CB LEU A 10 -3.200 3.771 10.946 1.00 1.00 C ATOM 126 CG LEU A 10 -2.495 2.546 10.295 1.00 1.00 C ATOM 127 CD1 LEU A 10 -2.889 1.247 11.013 1.00 1.00 C ATOM 128 CD2 LEU A 10 -2.897 2.432 8.818 1.00 1.00 C ATOM 0 H LEU A 10 -2.348 2.750 13.017 1.00 1.00 H new ATOM 0 HA LEU A 10 -1.343 4.805 11.326 1.00 1.00 H new ATOM 0 HB2 LEU A 10 -4.075 3.440 11.505 1.00 1.00 H new ATOM 0 HB3 LEU A 10 -3.556 4.448 10.170 1.00 1.00 H new ATOM 0 HG LEU A 10 -1.418 2.693 10.380 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -2.385 0.403 10.542 1.00 1.00 H new ATOM 0 HD12 LEU A 10 -2.594 1.307 12.061 1.00 1.00 H new ATOM 0 HD13 LEU A 10 -3.968 1.108 10.947 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -2.399 1.572 8.371 1.00 1.00 H new ATOM 0 HD22 LEU A 10 -3.977 2.305 8.744 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -2.601 3.338 8.289 1.00 1.00 H new ATOM 140 N PRO A 11 -2.794 6.899 11.770 1.00 1.00 N ATOM 141 CA PRO A 11 -3.433 8.159 12.248 1.00 1.00 C ATOM 142 C PRO A 11 -4.955 8.038 12.273 1.00 1.00 C ATOM 143 O PRO A 11 -5.556 7.387 11.418 1.00 1.00 O ATOM 144 CB PRO A 11 -2.958 9.229 11.247 1.00 1.00 C ATOM 145 CG PRO A 11 -2.564 8.466 10.023 1.00 1.00 C ATOM 146 CD PRO A 11 -2.055 7.111 10.512 1.00 1.00 C ATOM 0 HA PRO A 11 -3.154 8.405 13.272 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -3.751 9.944 11.028 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -2.117 9.797 11.646 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -3.413 8.343 9.350 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -1.790 8.995 9.467 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -2.259 6.321 9.789 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -0.978 7.123 10.677 1.00 1.00 H new ATOM 154 N VAL A 12 -5.561 8.662 13.270 1.00 1.00 N ATOM 155 CA VAL A 12 -7.008 8.623 13.426 1.00 1.00 C ATOM 156 C VAL A 12 -7.704 9.385 12.303 1.00 1.00 C ATOM 157 O VAL A 12 -8.715 8.932 11.767 1.00 1.00 O ATOM 158 CB VAL A 12 -7.403 9.214 14.782 1.00 1.00 C ATOM 159 CG1 VAL A 12 -8.929 9.292 14.887 1.00 1.00 C ATOM 160 CG2 VAL A 12 -6.856 8.323 15.900 1.00 1.00 C ATOM 0 H VAL A 12 -5.074 9.202 13.985 1.00 1.00 H new ATOM 0 HA VAL A 12 -7.327 7.582 13.378 1.00 1.00 H new ATOM 0 HB VAL A 12 -6.986 10.217 14.877 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -9.206 9.713 15.853 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -9.317 9.927 14.090 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -9.352 8.292 14.792 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -7.135 8.740 16.867 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -7.273 7.321 15.803 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -5.770 8.273 15.826 1.00 1.00 H new ATOM 170 N GLY A 13 -7.169 10.552 11.965 1.00 1.00 N ATOM 171 CA GLY A 13 -7.761 11.374 10.916 1.00 1.00 C ATOM 172 C GLY A 13 -7.958 10.574 9.635 1.00 1.00 C ATOM 173 O GLY A 13 -8.957 10.743 8.938 1.00 1.00 O ATOM 0 H GLY A 13 -6.334 10.948 12.397 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -8.720 11.765 11.255 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -7.119 12.232 10.717 1.00 1.00 H new ATOM 177 N ALA A 14 -7.000 9.708 9.328 1.00 1.00 N ATOM 178 CA ALA A 14 -7.088 8.894 8.123 1.00 1.00 C ATOM 179 C ALA A 14 -8.127 7.794 8.282 1.00 1.00 C ATOM 180 O ALA A 14 -8.206 7.140 9.323 1.00 1.00 O ATOM 181 CB ALA A 14 -5.729 8.267 7.814 1.00 1.00 C ATOM 0 H ALA A 14 -6.163 9.552 9.889 1.00 1.00 H new ATOM 0 HA ALA A 14 -7.389 9.542 7.300 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -5.805 7.660 6.912 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -4.991 9.055 7.661 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -5.420 7.638 8.649 1.00 1.00 H new ATOM 187 N GLN A 15 -8.913 7.583 7.230 1.00 1.00 N ATOM 188 CA GLN A 15 -9.942 6.540 7.238 1.00 1.00 C ATOM 189 C GLN A 15 -9.401 5.306 6.511 1.00 1.00 C ATOM 190 O GLN A 15 -9.244 5.353 5.298 1.00 1.00 O ATOM 191 CB GLN A 15 -11.203 7.040 6.514 1.00 1.00 C ATOM 192 CG GLN A 15 -11.516 8.499 6.912 1.00 1.00 C ATOM 193 CD GLN A 15 -13.023 8.747 6.880 1.00 1.00 C ATOM 194 OE1 GLN A 15 -13.686 8.687 7.915 1.00 1.00 O ATOM 195 NE2 GLN A 15 -13.604 9.025 5.745 1.00 1.00 N ATOM 0 H GLN A 15 -8.860 8.117 6.362 1.00 1.00 H new ATOM 0 HA GLN A 15 -10.197 6.290 8.268 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -11.060 6.974 5.435 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -12.050 6.400 6.763 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -11.129 8.702 7.911 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -11.013 9.185 6.230 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -13.053 9.074 4.888 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -14.610 9.193 5.715 1.00 1.00 H new ATOM 204 N PRO A 16 -9.090 4.220 7.193 1.00 1.00 N ATOM 205 CA PRO A 16 -8.521 3.010 6.521 1.00 1.00 C ATOM 206 C PRO A 16 -9.576 2.199 5.770 1.00 1.00 C ATOM 207 O PRO A 16 -10.366 1.472 6.375 1.00 1.00 O ATOM 208 CB PRO A 16 -7.920 2.216 7.688 1.00 1.00 C ATOM 209 CG PRO A 16 -8.786 2.554 8.859 1.00 1.00 C ATOM 210 CD PRO A 16 -9.244 4.004 8.647 1.00 1.00 C ATOM 0 HA PRO A 16 -7.793 3.267 5.751 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -7.928 1.145 7.485 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -6.883 2.499 7.867 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -9.641 1.880 8.919 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -8.234 2.452 9.794 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -10.277 4.146 8.964 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -8.635 4.703 9.221 1.00 1.00 H new ATOM 218 N LEU A 17 -9.573 2.331 4.446 1.00 1.00 N ATOM 219 CA LEU A 17 -10.521 1.605 3.606 1.00 1.00 C ATOM 220 C LEU A 17 -10.237 0.114 3.663 1.00 1.00 C ATOM 221 O LEU A 17 -11.150 -0.706 3.756 1.00 1.00 O ATOM 222 CB LEU A 17 -10.390 2.056 2.151 1.00 1.00 C ATOM 223 CG LEU A 17 -10.701 3.550 2.024 1.00 1.00 C ATOM 224 CD1 LEU A 17 -10.510 3.981 0.564 1.00 1.00 C ATOM 225 CD2 LEU A 17 -12.150 3.831 2.461 1.00 1.00 C ATOM 0 H LEU A 17 -8.927 2.932 3.933 1.00 1.00 H new ATOM 0 HA LEU A 17 -11.526 1.811 3.975 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -9.380 1.857 1.792 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -11.071 1.482 1.523 1.00 1.00 H new ATOM 0 HG LEU A 17 -10.026 4.114 2.668 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -10.730 5.044 0.467 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -9.480 3.794 0.261 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -11.185 3.411 -0.075 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -12.359 4.897 2.366 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -12.836 3.269 1.828 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -12.282 3.527 3.499 1.00 1.00 H new ATOM 237 N ALA A 18 -8.954 -0.223 3.585 1.00 1.00 N ATOM 238 CA ALA A 18 -8.529 -1.620 3.607 1.00 1.00 C ATOM 239 C ALA A 18 -7.126 -1.733 4.179 1.00 1.00 C ATOM 240 O ALA A 18 -6.312 -0.827 4.022 1.00 1.00 O ATOM 241 CB ALA A 18 -8.541 -2.183 2.184 1.00 1.00 C ATOM 0 H ALA A 18 -8.191 0.450 3.506 1.00 1.00 H new ATOM 0 HA ALA A 18 -9.217 -2.187 4.234 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -8.224 -3.226 2.203 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -9.549 -2.118 1.775 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -7.859 -1.607 1.559 1.00 1.00 H new ATOM 247 N THR A 19 -6.841 -2.853 4.843 1.00 1.00 N ATOM 248 CA THR A 19 -5.519 -3.071 5.433 1.00 1.00 C ATOM 249 C THR A 19 -5.061 -4.503 5.203 1.00 1.00 C ATOM 250 O THR A 19 -5.813 -5.450 5.436 1.00 1.00 O ATOM 251 CB THR A 19 -5.558 -2.753 6.932 1.00 1.00 C ATOM 252 OG1 THR A 19 -4.353 -3.186 7.543 1.00 1.00 O ATOM 253 CG2 THR A 19 -6.746 -3.462 7.582 1.00 1.00 C ATOM 0 H THR A 19 -7.501 -3.618 4.986 1.00 1.00 H new ATOM 0 HA THR A 19 -4.804 -2.404 4.950 1.00 1.00 H new ATOM 0 HB THR A 19 -5.666 -1.677 7.066 1.00 1.00 H new ATOM 0 HG1 THR A 19 -3.640 -2.541 7.354 1.00 1.00 H new ATOM 0 HG21 THR A 19 -6.768 -3.232 8.647 1.00 1.00 H new ATOM 0 HG22 THR A 19 -7.671 -3.121 7.118 1.00 1.00 H new ATOM 0 HG23 THR A 19 -6.646 -4.539 7.445 1.00 1.00 H new ATOM 261 N VAL A 20 -3.824 -4.662 4.726 1.00 1.00 N ATOM 262 CA VAL A 20 -3.288 -5.994 4.452 1.00 1.00 C ATOM 263 C VAL A 20 -1.826 -6.094 4.866 1.00 1.00 C ATOM 264 O VAL A 20 -1.135 -5.083 4.990 1.00 1.00 O ATOM 265 CB VAL A 20 -3.416 -6.293 2.957 1.00 1.00 C ATOM 266 CG1 VAL A 20 -4.899 -6.388 2.572 1.00 1.00 C ATOM 267 CG2 VAL A 20 -2.760 -5.168 2.149 1.00 1.00 C ATOM 0 H VAL A 20 -3.183 -3.895 4.524 1.00 1.00 H new ATOM 0 HA VAL A 20 -3.858 -6.721 5.031 1.00 1.00 H new ATOM 0 HB VAL A 20 -2.920 -7.239 2.740 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -4.985 -6.601 1.507 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -5.372 -7.188 3.142 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -5.394 -5.443 2.794 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -2.852 -5.383 1.084 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -3.255 -4.223 2.373 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -1.705 -5.097 2.415 1.00 1.00 H new ATOM 277 N GLU A 21 -1.354 -7.324 5.051 1.00 1.00 N ATOM 278 CA GLU A 21 0.040 -7.555 5.423 1.00 1.00 C ATOM 279 C GLU A 21 0.826 -7.953 4.180 1.00 1.00 C ATOM 280 O GLU A 21 0.486 -8.925 3.504 1.00 1.00 O ATOM 281 CB GLU A 21 0.134 -8.669 6.469 1.00 1.00 C ATOM 282 CG GLU A 21 1.562 -8.743 7.018 1.00 1.00 C ATOM 283 CD GLU A 21 1.836 -7.544 7.921 1.00 1.00 C ATOM 284 OE1 GLU A 21 0.902 -6.804 8.188 1.00 1.00 O ATOM 285 OE2 GLU A 21 2.973 -7.382 8.331 1.00 1.00 O ATOM 0 H GLU A 21 -1.912 -8.172 4.950 1.00 1.00 H new ATOM 0 HA GLU A 21 0.454 -6.641 5.849 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -0.568 -8.479 7.281 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -0.144 -9.624 6.023 1.00 1.00 H new ATOM 0 HG2 GLU A 21 1.698 -9.669 7.577 1.00 1.00 H new ATOM 0 HG3 GLU A 21 2.277 -8.760 6.195 1.00 1.00 H new ATOM 292 N GLY A 22 1.871 -7.191 3.877 1.00 1.00 N ATOM 293 CA GLY A 22 2.699 -7.462 2.703 1.00 1.00 C ATOM 294 C GLY A 22 4.173 -7.430 3.067 1.00 1.00 C ATOM 295 O GLY A 22 4.561 -6.837 4.071 1.00 1.00 O ATOM 0 H GLY A 22 2.166 -6.383 4.425 1.00 1.00 H new ATOM 0 HA2 GLY A 22 2.443 -8.437 2.288 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.494 -6.722 1.929 1.00 1.00 H new ATOM 299 N MET A 23 4.990 -8.078 2.250 1.00 1.00 N ATOM 300 CA MET A 23 6.429 -8.130 2.487 1.00 1.00 C ATOM 301 C MET A 23 7.143 -7.103 1.617 1.00 1.00 C ATOM 302 O MET A 23 7.046 -7.137 0.393 1.00 1.00 O ATOM 303 CB MET A 23 6.944 -9.532 2.158 1.00 1.00 C ATOM 304 CG MET A 23 6.081 -10.570 2.882 1.00 1.00 C ATOM 305 SD MET A 23 6.190 -10.313 4.673 1.00 1.00 S ATOM 306 CE MET A 23 7.884 -10.908 4.907 1.00 1.00 C ATOM 0 H MET A 23 4.682 -8.577 1.415 1.00 1.00 H new ATOM 0 HA MET A 23 6.628 -7.902 3.534 1.00 1.00 H new ATOM 0 HB2 MET A 23 6.911 -9.701 1.082 1.00 1.00 H new ATOM 0 HB3 MET A 23 7.986 -9.631 2.464 1.00 1.00 H new ATOM 0 HG2 MET A 23 5.044 -10.487 2.555 1.00 1.00 H new ATOM 0 HG3 MET A 23 6.415 -11.576 2.628 1.00 1.00 H new ATOM 0 HE1 MET A 23 7.971 -11.383 5.884 1.00 1.00 H new ATOM 0 HE2 MET A 23 8.126 -11.632 4.129 1.00 1.00 H new ATOM 0 HE3 MET A 23 8.576 -10.068 4.849 1.00 1.00 H new ATOM 316 N GLU A 24 7.858 -6.186 2.259 1.00 1.00 N ATOM 317 CA GLU A 24 8.585 -5.144 1.537 1.00 1.00 C ATOM 318 C GLU A 24 9.951 -5.650 1.093 1.00 1.00 C ATOM 319 O GLU A 24 10.788 -6.010 1.917 1.00 1.00 O ATOM 320 CB GLU A 24 8.753 -3.922 2.442 1.00 1.00 C ATOM 321 CG GLU A 24 9.482 -2.807 1.695 1.00 1.00 C ATOM 322 CD GLU A 24 9.516 -1.554 2.562 1.00 1.00 C ATOM 323 OE1 GLU A 24 9.192 -1.658 3.733 1.00 1.00 O ATOM 324 OE2 GLU A 24 9.868 -0.507 2.043 1.00 1.00 O ATOM 0 H GLU A 24 7.951 -6.141 3.274 1.00 1.00 H new ATOM 0 HA GLU A 24 8.016 -4.868 0.649 1.00 1.00 H new ATOM 0 HB2 GLU A 24 7.776 -3.569 2.773 1.00 1.00 H new ATOM 0 HB3 GLU A 24 9.313 -4.197 3.336 1.00 1.00 H new ATOM 0 HG2 GLU A 24 10.497 -3.121 1.451 1.00 1.00 H new ATOM 0 HG3 GLU A 24 8.978 -2.596 0.752 1.00 1.00 H new ATOM 331 N MET A 25 10.169 -5.679 -0.220 1.00 1.00 N ATOM 332 CA MET A 25 11.445 -6.146 -0.773 1.00 1.00 C ATOM 333 C MET A 25 12.306 -4.966 -1.211 1.00 1.00 C ATOM 334 O MET A 25 11.819 -4.027 -1.838 1.00 1.00 O ATOM 335 CB MET A 25 11.195 -7.045 -1.989 1.00 1.00 C ATOM 336 CG MET A 25 10.478 -8.322 -1.558 1.00 1.00 C ATOM 337 SD MET A 25 10.261 -9.413 -2.991 1.00 1.00 S ATOM 338 CE MET A 25 8.954 -8.475 -3.828 1.00 1.00 C ATOM 0 H MET A 25 9.486 -5.388 -0.919 1.00 1.00 H new ATOM 0 HA MET A 25 11.963 -6.706 0.006 1.00 1.00 H new ATOM 0 HB2 MET A 25 10.595 -6.513 -2.727 1.00 1.00 H new ATOM 0 HB3 MET A 25 12.142 -7.294 -2.468 1.00 1.00 H new ATOM 0 HG2 MET A 25 11.054 -8.831 -0.785 1.00 1.00 H new ATOM 0 HG3 MET A 25 9.508 -8.078 -1.124 1.00 1.00 H new ATOM 0 HE1 MET A 25 8.418 -9.131 -4.514 1.00 1.00 H new ATOM 0 HE2 MET A 25 8.259 -8.079 -3.087 1.00 1.00 H new ATOM 0 HE3 MET A 25 9.398 -7.651 -4.386 1.00 1.00 H new ATOM 348 N LYS A 26 13.599 -5.032 -0.899 1.00 1.00 N ATOM 349 CA LYS A 26 14.537 -3.975 -1.288 1.00 1.00 C ATOM 350 C LYS A 26 15.800 -4.590 -1.873 1.00 1.00 C ATOM 351 O LYS A 26 16.160 -5.721 -1.549 1.00 1.00 O ATOM 352 CB LYS A 26 14.909 -3.098 -0.091 1.00 1.00 C ATOM 353 CG LYS A 26 13.677 -2.332 0.387 1.00 1.00 C ATOM 354 CD LYS A 26 14.062 -1.450 1.576 1.00 1.00 C ATOM 355 CE LYS A 26 12.826 -0.710 2.082 1.00 1.00 C ATOM 356 NZ LYS A 26 13.200 0.148 3.239 1.00 1.00 N ATOM 0 H LYS A 26 14.022 -5.802 -0.380 1.00 1.00 H new ATOM 0 HA LYS A 26 14.048 -3.352 -2.037 1.00 1.00 H new ATOM 0 HB2 LYS A 26 15.301 -3.716 0.717 1.00 1.00 H new ATOM 0 HB3 LYS A 26 15.698 -2.400 -0.370 1.00 1.00 H new ATOM 0 HG2 LYS A 26 13.279 -1.719 -0.422 1.00 1.00 H new ATOM 0 HG3 LYS A 26 12.890 -3.029 0.676 1.00 1.00 H new ATOM 0 HD2 LYS A 26 14.485 -2.061 2.374 1.00 1.00 H new ATOM 0 HD3 LYS A 26 14.830 -0.736 1.279 1.00 1.00 H new ATOM 0 HE2 LYS A 26 12.403 -0.099 1.284 1.00 1.00 H new ATOM 0 HE3 LYS A 26 12.058 -1.424 2.378 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 12.358 0.652 3.584 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 13.585 -0.446 4.001 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 13.919 0.838 2.941 1.00 1.00 H new ATOM 370 N GLY A 27 16.461 -3.838 -2.744 1.00 1.00 N ATOM 371 CA GLY A 27 17.685 -4.304 -3.389 1.00 1.00 C ATOM 372 C GLY A 27 18.543 -5.170 -2.462 1.00 1.00 C ATOM 373 O GLY A 27 18.739 -6.356 -2.722 1.00 1.00 O ATOM 0 H GLY A 27 16.170 -2.900 -3.021 1.00 1.00 H new ATOM 0 HA2 GLY A 27 17.427 -4.876 -4.280 1.00 1.00 H new ATOM 0 HA3 GLY A 27 18.268 -3.444 -3.720 1.00 1.00 H new ATOM 377 N PRO A 28 19.082 -4.595 -1.416 1.00 1.00 N ATOM 378 CA PRO A 28 19.974 -5.329 -0.454 1.00 1.00 C ATOM 379 C PRO A 28 19.273 -6.478 0.293 1.00 1.00 C ATOM 380 O PRO A 28 19.904 -7.491 0.601 1.00 1.00 O ATOM 381 CB PRO A 28 20.454 -4.224 0.508 1.00 1.00 C ATOM 382 CG PRO A 28 19.423 -3.144 0.409 1.00 1.00 C ATOM 383 CD PRO A 28 18.902 -3.185 -1.027 1.00 1.00 C ATOM 0 HA PRO A 28 20.788 -5.835 -0.972 1.00 1.00 H new ATOM 0 HB2 PRO A 28 20.536 -4.598 1.528 1.00 1.00 H new ATOM 0 HB3 PRO A 28 21.440 -3.855 0.224 1.00 1.00 H new ATOM 0 HG2 PRO A 28 18.615 -3.310 1.121 1.00 1.00 H new ATOM 0 HG3 PRO A 28 19.855 -2.170 0.639 1.00 1.00 H new ATOM 0 HD2 PRO A 28 17.856 -2.883 -1.084 1.00 1.00 H new ATOM 0 HD3 PRO A 28 19.463 -2.514 -1.677 1.00 1.00 H new ATOM 391 N LEU A 29 17.982 -6.326 0.576 1.00 1.00 N ATOM 392 CA LEU A 29 17.231 -7.374 1.277 1.00 1.00 C ATOM 393 C LEU A 29 15.758 -6.986 1.393 1.00 1.00 C ATOM 394 O LEU A 29 15.320 -6.015 0.783 1.00 1.00 O ATOM 395 CB LEU A 29 17.817 -7.633 2.681 1.00 1.00 C ATOM 396 CG LEU A 29 18.217 -6.316 3.364 1.00 1.00 C ATOM 397 CD1 LEU A 29 17.006 -5.380 3.458 1.00 1.00 C ATOM 398 CD2 LEU A 29 18.730 -6.624 4.777 1.00 1.00 C ATOM 0 H LEU A 29 17.436 -5.499 0.336 1.00 1.00 H new ATOM 0 HA LEU A 29 17.314 -8.292 0.695 1.00 1.00 H new ATOM 0 HB2 LEU A 29 17.083 -8.156 3.294 1.00 1.00 H new ATOM 0 HB3 LEU A 29 18.688 -8.284 2.601 1.00 1.00 H new ATOM 0 HG LEU A 29 18.997 -5.829 2.778 1.00 1.00 H new ATOM 0 HD11 LEU A 29 17.302 -4.450 3.944 1.00 1.00 H new ATOM 0 HD12 LEU A 29 16.635 -5.164 2.456 1.00 1.00 H new ATOM 0 HD13 LEU A 29 16.220 -5.860 4.041 1.00 1.00 H new ATOM 0 HD21 LEU A 29 19.017 -5.695 5.270 1.00 1.00 H new ATOM 0 HD22 LEU A 29 17.943 -7.112 5.352 1.00 1.00 H new ATOM 0 HD23 LEU A 29 19.596 -7.284 4.714 1.00 1.00 H new ATOM 410 N ARG A 30 14.994 -7.749 2.180 1.00 1.00 N ATOM 411 CA ARG A 30 13.570 -7.467 2.375 1.00 1.00 C ATOM 412 C ARG A 30 13.260 -7.323 3.857 1.00 1.00 C ATOM 413 O ARG A 30 14.093 -7.628 4.711 1.00 1.00 O ATOM 414 CB ARG A 30 12.708 -8.580 1.766 1.00 1.00 C ATOM 415 CG ARG A 30 12.908 -9.896 2.523 1.00 1.00 C ATOM 416 CD ARG A 30 12.037 -10.968 1.876 1.00 1.00 C ATOM 417 NE ARG A 30 12.160 -12.231 2.599 1.00 1.00 N ATOM 418 CZ ARG A 30 11.445 -13.301 2.256 1.00 1.00 C ATOM 419 NH1 ARG A 30 10.538 -13.214 1.320 1.00 1.00 N ATOM 420 NH2 ARG A 30 11.636 -14.435 2.874 1.00 1.00 N ATOM 0 H ARG A 30 15.336 -8.563 2.690 1.00 1.00 H new ATOM 0 HA ARG A 30 13.335 -6.530 1.870 1.00 1.00 H new ATOM 0 HB2 ARG A 30 11.657 -8.292 1.799 1.00 1.00 H new ATOM 0 HB3 ARG A 30 12.969 -8.715 0.716 1.00 1.00 H new ATOM 0 HG2 ARG A 30 13.956 -10.193 2.495 1.00 1.00 H new ATOM 0 HG3 ARG A 30 12.640 -9.773 3.572 1.00 1.00 H new ATOM 0 HD2 ARG A 30 10.996 -10.645 1.871 1.00 1.00 H new ATOM 0 HD3 ARG A 30 12.333 -11.107 0.836 1.00 1.00 H new ATOM 0 HE ARG A 30 12.808 -12.295 3.384 1.00 1.00 H new ATOM 0 HH11 ARG A 30 10.375 -12.324 0.849 1.00 1.00 H new ATOM 0 HH12 ARG A 30 9.993 -14.036 1.060 1.00 1.00 H new ATOM 0 HH21 ARG A 30 12.331 -14.500 3.617 1.00 1.00 H new ATOM 0 HH22 ARG A 30 11.090 -15.256 2.613 1.00 1.00 H new ATOM 434 N GLU A 31 12.057 -6.851 4.153 1.00 1.00 N ATOM 435 CA GLU A 31 11.630 -6.658 5.533 1.00 1.00 C ATOM 436 C GLU A 31 10.102 -6.753 5.622 1.00 1.00 C ATOM 437 O GLU A 31 9.410 -6.135 4.812 1.00 1.00 O ATOM 438 CB GLU A 31 12.078 -5.277 6.018 1.00 1.00 C ATOM 439 CG GLU A 31 11.462 -4.192 5.128 1.00 1.00 C ATOM 440 CD GLU A 31 12.192 -2.870 5.338 1.00 1.00 C ATOM 441 OE1 GLU A 31 13.398 -2.844 5.158 1.00 1.00 O ATOM 442 OE2 GLU A 31 11.534 -1.899 5.677 1.00 1.00 O ATOM 0 H GLU A 31 11.358 -6.594 3.456 1.00 1.00 H new ATOM 0 HA GLU A 31 12.078 -7.431 6.157 1.00 1.00 H new ATOM 0 HB2 GLU A 31 11.773 -5.128 7.054 1.00 1.00 H new ATOM 0 HB3 GLU A 31 13.165 -5.207 5.993 1.00 1.00 H new ATOM 0 HG2 GLU A 31 11.525 -4.489 4.081 1.00 1.00 H new ATOM 0 HG3 GLU A 31 10.404 -4.074 5.363 1.00 1.00 H new ATOM 449 N PRO A 32 9.534 -7.487 6.564 1.00 1.00 N ATOM 450 CA PRO A 32 8.048 -7.579 6.665 1.00 1.00 C ATOM 451 C PRO A 32 7.411 -6.193 6.780 1.00 1.00 C ATOM 452 O PRO A 32 7.962 -5.300 7.423 1.00 1.00 O ATOM 453 CB PRO A 32 7.801 -8.413 7.937 1.00 1.00 C ATOM 454 CG PRO A 32 9.077 -9.154 8.187 1.00 1.00 C ATOM 455 CD PRO A 32 10.203 -8.298 7.606 1.00 1.00 C ATOM 0 HA PRO A 32 7.602 -8.032 5.780 1.00 1.00 H new ATOM 0 HB2 PRO A 32 7.547 -7.773 8.782 1.00 1.00 H new ATOM 0 HB3 PRO A 32 6.968 -9.102 7.798 1.00 1.00 H new ATOM 0 HG2 PRO A 32 9.227 -9.318 9.254 1.00 1.00 H new ATOM 0 HG3 PRO A 32 9.054 -10.136 7.714 1.00 1.00 H new ATOM 0 HD2 PRO A 32 10.661 -7.669 8.369 1.00 1.00 H new ATOM 0 HD3 PRO A 32 10.996 -8.915 7.184 1.00 1.00 H new ATOM 463 N CYS A 33 6.255 -6.022 6.142 1.00 1.00 N ATOM 464 CA CYS A 33 5.554 -4.740 6.167 1.00 1.00 C ATOM 465 C CYS A 33 4.048 -4.949 6.002 1.00 1.00 C ATOM 466 O CYS A 33 3.558 -6.076 6.046 1.00 1.00 O ATOM 467 CB CYS A 33 6.086 -3.848 5.036 1.00 1.00 C ATOM 468 SG CYS A 33 5.328 -4.327 3.459 1.00 1.00 S ATOM 0 H CYS A 33 5.786 -6.751 5.604 1.00 1.00 H new ATOM 0 HA CYS A 33 5.731 -4.257 7.128 1.00 1.00 H new ATOM 0 HB2 CYS A 33 5.866 -2.803 5.252 1.00 1.00 H new ATOM 0 HB3 CYS A 33 7.170 -3.938 4.970 1.00 1.00 H new ATOM 0 HG CYS A 33 4.577 -5.373 3.639 1.00 1.00 H new ATOM 474 N ALA A 34 3.324 -3.853 5.806 1.00 1.00 N ATOM 475 CA ALA A 34 1.879 -3.920 5.624 1.00 1.00 C ATOM 476 C ALA A 34 1.383 -2.689 4.875 1.00 1.00 C ATOM 477 O ALA A 34 1.728 -1.557 5.219 1.00 1.00 O ATOM 478 CB ALA A 34 1.173 -4.028 6.980 1.00 1.00 C ATOM 0 H ALA A 34 3.712 -2.911 5.769 1.00 1.00 H new ATOM 0 HA ALA A 34 1.647 -4.808 5.036 1.00 1.00 H new ATOM 0 HB1 ALA A 34 0.095 -4.077 6.826 1.00 1.00 H new ATOM 0 HB2 ALA A 34 1.508 -4.929 7.494 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.414 -3.155 7.586 1.00 1.00 H new ATOM 484 N LEU A 35 0.572 -2.919 3.845 1.00 1.00 N ATOM 485 CA LEU A 35 0.023 -1.830 3.039 1.00 1.00 C ATOM 486 C LEU A 35 -1.410 -1.545 3.454 1.00 1.00 C ATOM 487 O LEU A 35 -2.258 -2.437 3.433 1.00 1.00 O ATOM 488 CB LEU A 35 0.064 -2.215 1.558 1.00 1.00 C ATOM 489 CG LEU A 35 1.501 -2.561 1.146 1.00 1.00 C ATOM 490 CD1 LEU A 35 1.513 -3.013 -0.319 1.00 1.00 C ATOM 491 CD2 LEU A 35 2.411 -1.329 1.313 1.00 1.00 C ATOM 0 H LEU A 35 0.280 -3.850 3.548 1.00 1.00 H new ATOM 0 HA LEU A 35 0.623 -0.934 3.197 1.00 1.00 H new ATOM 0 HB2 LEU A 35 -0.590 -3.068 1.377 1.00 1.00 H new ATOM 0 HB3 LEU A 35 -0.310 -1.392 0.949 1.00 1.00 H new ATOM 0 HG LEU A 35 1.873 -3.364 1.782 1.00 1.00 H new ATOM 0 HD11 LEU A 35 2.533 -3.260 -0.615 1.00 1.00 H new ATOM 0 HD12 LEU A 35 0.879 -3.892 -0.434 1.00 1.00 H new ATOM 0 HD13 LEU A 35 1.136 -2.209 -0.951 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.428 -1.586 1.018 1.00 1.00 H new ATOM 0 HD22 LEU A 35 2.044 -0.518 0.684 1.00 1.00 H new ATOM 0 HD23 LEU A 35 2.405 -1.011 2.356 1.00 1.00 H new ATOM 503 N THR A 36 -1.678 -0.295 3.841 1.00 1.00 N ATOM 504 CA THR A 36 -3.021 0.094 4.275 1.00 1.00 C ATOM 505 C THR A 36 -3.535 1.300 3.503 1.00 1.00 C ATOM 506 O THR A 36 -3.041 2.416 3.658 1.00 1.00 O ATOM 507 CB THR A 36 -3.017 0.400 5.777 1.00 1.00 C ATOM 508 OG1 THR A 36 -2.656 -0.772 6.497 1.00 1.00 O ATOM 509 CG2 THR A 36 -4.408 0.861 6.216 1.00 1.00 C ATOM 0 H THR A 36 -0.990 0.458 3.863 1.00 1.00 H new ATOM 0 HA THR A 36 -3.691 -0.742 4.073 1.00 1.00 H new ATOM 0 HB THR A 36 -2.296 1.192 5.981 1.00 1.00 H new ATOM 0 HG1 THR A 36 -2.011 -0.540 7.198 1.00 1.00 H new ATOM 0 HG21 THR A 36 -4.399 1.077 7.284 1.00 1.00 H new ATOM 0 HG22 THR A 36 -4.683 1.761 5.666 1.00 1.00 H new ATOM 0 HG23 THR A 36 -5.134 0.074 6.011 1.00 1.00 H new ATOM 517 N LEU A 37 -4.557 1.062 2.691 1.00 1.00 N ATOM 518 CA LEU A 37 -5.170 2.123 1.909 1.00 1.00 C ATOM 519 C LEU A 37 -6.130 2.903 2.795 1.00 1.00 C ATOM 520 O LEU A 37 -6.990 2.319 3.455 1.00 1.00 O ATOM 521 CB LEU A 37 -5.918 1.517 0.715 1.00 1.00 C ATOM 522 CG LEU A 37 -6.622 2.615 -0.098 1.00 1.00 C ATOM 523 CD1 LEU A 37 -5.602 3.662 -0.576 1.00 1.00 C ATOM 524 CD2 LEU A 37 -7.334 1.975 -1.308 1.00 1.00 C ATOM 0 H LEU A 37 -4.978 0.142 2.558 1.00 1.00 H new ATOM 0 HA LEU A 37 -4.402 2.798 1.532 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -5.218 0.977 0.077 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -6.651 0.792 1.069 1.00 1.00 H new ATOM 0 HG LEU A 37 -7.357 3.115 0.533 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -6.115 4.434 -1.150 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -5.115 4.116 0.287 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -4.853 3.180 -1.204 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -7.835 2.751 -1.887 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -6.601 1.469 -1.936 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -8.070 1.252 -0.956 1.00 1.00 H new ATOM 536 N ALA A 38 -5.976 4.223 2.825 1.00 1.00 N ATOM 537 CA ALA A 38 -6.834 5.059 3.657 1.00 1.00 C ATOM 538 C ALA A 38 -7.159 6.380 2.971 1.00 1.00 C ATOM 539 O ALA A 38 -6.355 6.913 2.210 1.00 1.00 O ATOM 540 CB ALA A 38 -6.140 5.332 4.993 1.00 1.00 C ATOM 0 H ALA A 38 -5.273 4.732 2.289 1.00 1.00 H new ATOM 0 HA ALA A 38 -7.770 4.526 3.824 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -6.781 5.957 5.615 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -5.948 4.388 5.503 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -5.196 5.846 4.814 1.00 1.00 H new ATOM 546 N GLN A 39 -8.352 6.900 3.254 1.00 1.00 N ATOM 547 CA GLN A 39 -8.805 8.165 2.675 1.00 1.00 C ATOM 548 C GLN A 39 -8.673 9.284 3.704 1.00 1.00 C ATOM 549 O GLN A 39 -9.147 9.153 4.831 1.00 1.00 O ATOM 550 CB GLN A 39 -10.274 8.029 2.258 1.00 1.00 C ATOM 551 CG GLN A 39 -10.746 9.301 1.545 1.00 1.00 C ATOM 552 CD GLN A 39 -12.244 9.206 1.266 1.00 1.00 C ATOM 553 OE1 GLN A 39 -12.660 8.588 0.286 1.00 1.00 O ATOM 554 NE2 GLN A 39 -13.085 9.779 2.085 1.00 1.00 N ATOM 0 H GLN A 39 -9.025 6.463 3.883 1.00 1.00 H new ATOM 0 HA GLN A 39 -8.193 8.405 1.806 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -10.394 7.169 1.599 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -10.893 7.846 3.136 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -10.535 10.175 2.161 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -10.199 9.431 0.611 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -12.738 10.291 2.896 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -14.088 9.715 1.913 1.00 1.00 H new ATOM 563 N ARG A 40 -8.032 10.392 3.322 1.00 1.00 N ATOM 564 CA ARG A 40 -7.863 11.521 4.241 1.00 1.00 C ATOM 565 C ARG A 40 -8.059 12.851 3.512 1.00 1.00 C ATOM 566 O ARG A 40 -7.575 13.038 2.395 1.00 1.00 O ATOM 567 CB ARG A 40 -6.474 11.467 4.889 1.00 1.00 C ATOM 568 CG ARG A 40 -6.358 12.562 5.955 1.00 1.00 C ATOM 569 CD ARG A 40 -5.084 12.348 6.780 1.00 1.00 C ATOM 570 NE ARG A 40 -4.925 13.425 7.759 1.00 1.00 N ATOM 571 CZ ARG A 40 -3.791 13.587 8.440 1.00 1.00 C ATOM 572 NH1 ARG A 40 -2.770 12.806 8.215 1.00 1.00 N ATOM 573 NH2 ARG A 40 -3.696 14.536 9.334 1.00 1.00 N ATOM 0 H ARG A 40 -7.627 10.531 2.396 1.00 1.00 H new ATOM 0 HA ARG A 40 -8.621 11.448 5.021 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -6.310 10.488 5.340 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -5.703 11.601 4.130 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -6.335 13.543 5.481 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -7.232 12.543 6.606 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -5.131 11.387 7.291 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -4.217 12.316 6.121 1.00 1.00 H new ATOM 0 HE ARG A 40 -5.701 14.067 7.924 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -2.838 12.067 7.515 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -1.904 12.934 8.739 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -4.490 15.152 9.510 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -2.828 14.660 9.855 1.00 1.00 H new ATOM 587 N ASN A 41 -8.782 13.761 4.162 1.00 1.00 N ATOM 588 CA ASN A 41 -9.064 15.083 3.601 1.00 1.00 C ATOM 589 C ASN A 41 -9.808 14.980 2.271 1.00 1.00 C ATOM 590 O ASN A 41 -9.624 15.815 1.385 1.00 1.00 O ATOM 591 CB ASN A 41 -7.760 15.862 3.403 1.00 1.00 C ATOM 592 CG ASN A 41 -7.133 16.186 4.756 1.00 1.00 C ATOM 593 OD1 ASN A 41 -5.986 16.628 4.818 1.00 1.00 O ATOM 594 ND2 ASN A 41 -7.817 15.984 5.848 1.00 1.00 N ATOM 0 H ASN A 41 -9.187 13.606 5.085 1.00 1.00 H new ATOM 0 HA ASN A 41 -9.702 15.613 4.308 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -7.065 15.276 2.802 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -7.957 16.783 2.855 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -7.402 16.192 6.756 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -8.767 15.618 5.794 1.00 1.00 H new ATOM 601 N GLY A 42 -10.662 13.967 2.140 1.00 1.00 N ATOM 602 CA GLY A 42 -11.434 13.794 0.911 1.00 1.00 C ATOM 603 C GLY A 42 -10.535 13.346 -0.233 1.00 1.00 C ATOM 604 O GLY A 42 -10.859 13.542 -1.406 1.00 1.00 O ATOM 0 H GLY A 42 -10.836 13.263 2.858 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.221 13.057 1.071 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -11.924 14.732 0.649 1.00 1.00 H new ATOM 608 N GLN A 43 -9.400 12.754 0.119 1.00 1.00 N ATOM 609 CA GLN A 43 -8.434 12.281 -0.864 1.00 1.00 C ATOM 610 C GLN A 43 -7.998 10.861 -0.520 1.00 1.00 C ATOM 611 O GLN A 43 -8.085 10.439 0.628 1.00 1.00 O ATOM 612 CB GLN A 43 -7.226 13.232 -0.860 1.00 1.00 C ATOM 613 CG GLN A 43 -6.074 12.643 -1.669 1.00 1.00 C ATOM 614 CD GLN A 43 -6.545 12.330 -3.082 1.00 1.00 C ATOM 615 OE1 GLN A 43 -7.260 13.129 -3.689 1.00 1.00 O ATOM 616 NE2 GLN A 43 -6.195 11.207 -3.643 1.00 1.00 N ATOM 0 H GLN A 43 -9.125 12.589 1.087 1.00 1.00 H new ATOM 0 HA GLN A 43 -8.884 12.268 -1.857 1.00 1.00 H new ATOM 0 HB2 GLN A 43 -7.515 14.197 -1.278 1.00 1.00 H new ATOM 0 HB3 GLN A 43 -6.902 13.413 0.165 1.00 1.00 H new ATOM 0 HG2 GLN A 43 -5.242 13.347 -1.700 1.00 1.00 H new ATOM 0 HG3 GLN A 43 -5.706 11.736 -1.189 1.00 1.00 H new ATOM 0 HE21 GLN A 43 -5.603 10.547 -3.138 1.00 1.00 H new ATOM 0 HE22 GLN A 43 -6.513 10.988 -4.587 1.00 1.00 H new ATOM 625 N TYR A 44 -7.513 10.130 -1.522 1.00 1.00 N ATOM 626 CA TYR A 44 -7.048 8.760 -1.306 1.00 1.00 C ATOM 627 C TYR A 44 -5.538 8.747 -1.104 1.00 1.00 C ATOM 628 O TYR A 44 -4.797 9.357 -1.875 1.00 1.00 O ATOM 629 CB TYR A 44 -7.403 7.886 -2.512 1.00 1.00 C ATOM 630 CG TYR A 44 -8.897 7.669 -2.563 1.00 1.00 C ATOM 631 CD1 TYR A 44 -9.722 8.624 -3.164 1.00 1.00 C ATOM 632 CD2 TYR A 44 -9.455 6.508 -2.010 1.00 1.00 C ATOM 633 CE1 TYR A 44 -11.107 8.422 -3.212 1.00 1.00 C ATOM 634 CE2 TYR A 44 -10.839 6.305 -2.059 1.00 1.00 C ATOM 635 CZ TYR A 44 -11.665 7.262 -2.662 1.00 1.00 C ATOM 636 OH TYR A 44 -13.030 7.062 -2.712 1.00 1.00 O ATOM 0 H TYR A 44 -7.432 10.459 -2.484 1.00 1.00 H new ATOM 0 HA TYR A 44 -7.537 8.364 -0.416 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -7.064 8.363 -3.431 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -6.889 6.927 -2.442 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -9.291 9.518 -3.591 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -8.817 5.770 -1.546 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -11.745 9.161 -3.673 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -11.270 5.411 -1.632 1.00 1.00 H new ATOM 0 HH TYR A 44 -13.251 6.208 -2.286 1.00 1.00 H new ATOM 646 N GLU A 45 -5.084 8.051 -0.065 1.00 1.00 N ATOM 647 CA GLU A 45 -3.653 7.965 0.225 1.00 1.00 C ATOM 648 C GLU A 45 -3.302 6.582 0.766 1.00 1.00 C ATOM 649 O GLU A 45 -4.082 5.972 1.495 1.00 1.00 O ATOM 650 CB GLU A 45 -3.248 9.055 1.229 1.00 1.00 C ATOM 651 CG GLU A 45 -3.906 8.808 2.590 1.00 1.00 C ATOM 652 CD GLU A 45 -3.519 9.922 3.556 1.00 1.00 C ATOM 653 OE1 GLU A 45 -2.664 10.717 3.199 1.00 1.00 O ATOM 654 OE2 GLU A 45 -4.078 9.963 4.639 1.00 1.00 O ATOM 0 H GLU A 45 -5.680 7.541 0.587 1.00 1.00 H new ATOM 0 HA GLU A 45 -3.099 8.123 -0.700 1.00 1.00 H new ATOM 0 HB2 GLU A 45 -2.164 9.069 1.341 1.00 1.00 H new ATOM 0 HB3 GLU A 45 -3.542 10.034 0.849 1.00 1.00 H new ATOM 0 HG2 GLU A 45 -4.990 8.769 2.479 1.00 1.00 H new ATOM 0 HG3 GLU A 45 -3.591 7.843 2.987 1.00 1.00 H new ATOM 661 N LEU A 46 -2.121 6.092 0.392 1.00 1.00 N ATOM 662 CA LEU A 46 -1.656 4.771 0.826 1.00 1.00 C ATOM 663 C LEU A 46 -0.600 4.915 1.916 1.00 1.00 C ATOM 664 O LEU A 46 0.411 5.590 1.728 1.00 1.00 O ATOM 665 CB LEU A 46 -1.059 4.020 -0.376 1.00 1.00 C ATOM 666 CG LEU A 46 -0.495 2.655 0.054 1.00 1.00 C ATOM 667 CD1 LEU A 46 -1.583 1.818 0.741 1.00 1.00 C ATOM 668 CD2 LEU A 46 0.013 1.913 -1.189 1.00 1.00 C ATOM 0 H LEU A 46 -1.466 6.589 -0.212 1.00 1.00 H new ATOM 0 HA LEU A 46 -2.500 4.210 1.227 1.00 1.00 H new ATOM 0 HB2 LEU A 46 -1.825 3.878 -1.138 1.00 1.00 H new ATOM 0 HB3 LEU A 46 -0.268 4.619 -0.828 1.00 1.00 H new ATOM 0 HG LEU A 46 0.322 2.810 0.759 1.00 1.00 H new ATOM 0 HD11 LEU A 46 -1.168 0.855 1.039 1.00 1.00 H new ATOM 0 HD12 LEU A 46 -1.945 2.346 1.623 1.00 1.00 H new ATOM 0 HD13 LEU A 46 -2.410 1.658 0.049 1.00 1.00 H new ATOM 0 HD21 LEU A 46 0.415 0.944 -0.895 1.00 1.00 H new ATOM 0 HD22 LEU A 46 -0.811 1.767 -1.888 1.00 1.00 H new ATOM 0 HD23 LEU A 46 0.796 2.500 -1.669 1.00 1.00 H new ATOM 680 N ILE A 47 -0.836 4.266 3.058 1.00 1.00 N ATOM 681 CA ILE A 47 0.111 4.322 4.171 1.00 1.00 C ATOM 682 C ILE A 47 0.962 3.061 4.198 1.00 1.00 C ATOM 683 O ILE A 47 0.435 1.949 4.247 1.00 1.00 O ATOM 684 CB ILE A 47 -0.635 4.441 5.503 1.00 1.00 C ATOM 685 CG1 ILE A 47 -1.500 5.706 5.506 1.00 1.00 C ATOM 686 CG2 ILE A 47 0.381 4.513 6.649 1.00 1.00 C ATOM 687 CD1 ILE A 47 -2.436 5.678 6.716 1.00 1.00 C ATOM 0 H ILE A 47 -1.667 3.701 3.235 1.00 1.00 H new ATOM 0 HA ILE A 47 0.748 5.196 4.031 1.00 1.00 H new ATOM 0 HB ILE A 47 -1.277 3.570 5.635 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -0.867 6.593 5.542 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -2.080 5.766 4.585 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -0.147 4.598 7.599 1.00 1.00 H new ATOM 0 HG22 ILE A 47 0.991 3.609 6.652 1.00 1.00 H new ATOM 0 HG23 ILE A 47 1.023 5.383 6.512 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -3.052 6.577 6.720 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -3.077 4.799 6.660 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -1.846 5.638 7.632 1.00 1.00 H new ATOM 699 N ILE A 48 2.280 3.233 4.174 1.00 1.00 N ATOM 700 CA ILE A 48 3.190 2.090 4.208 1.00 1.00 C ATOM 701 C ILE A 48 3.652 1.852 5.639 1.00 1.00 C ATOM 702 O ILE A 48 4.291 2.712 6.244 1.00 1.00 O ATOM 703 CB ILE A 48 4.406 2.369 3.326 1.00 1.00 C ATOM 704 CG1 ILE A 48 3.946 2.646 1.895 1.00 1.00 C ATOM 705 CG2 ILE A 48 5.326 1.145 3.335 1.00 1.00 C ATOM 706 CD1 ILE A 48 5.102 3.254 1.100 1.00 1.00 C ATOM 0 H ILE A 48 2.740 4.143 4.132 1.00 1.00 H new ATOM 0 HA ILE A 48 2.669 1.207 3.837 1.00 1.00 H new ATOM 0 HB ILE A 48 4.943 3.237 3.709 1.00 1.00 H new ATOM 0 HG12 ILE A 48 3.612 1.722 1.423 1.00 1.00 H new ATOM 0 HG13 ILE A 48 3.095 3.327 1.900 1.00 1.00 H new ATOM 0 HG21 ILE A 48 6.196 1.339 2.707 1.00 1.00 H new ATOM 0 HG22 ILE A 48 5.653 0.943 4.355 1.00 1.00 H new ATOM 0 HG23 ILE A 48 4.785 0.281 2.949 1.00 1.00 H new ATOM 0 HD11 ILE A 48 4.777 3.453 0.079 1.00 1.00 H new ATOM 0 HD12 ILE A 48 5.415 4.187 1.569 1.00 1.00 H new ATOM 0 HD13 ILE A 48 5.940 2.557 1.085 1.00 1.00 H new ATOM 718 N GLN A 49 3.316 0.684 6.182 1.00 1.00 N ATOM 719 CA GLN A 49 3.692 0.341 7.557 1.00 1.00 C ATOM 720 C GLN A 49 4.765 -0.736 7.576 1.00 1.00 C ATOM 721 O GLN A 49 4.632 -1.766 6.928 1.00 1.00 O ATOM 722 CB GLN A 49 2.470 -0.168 8.315 1.00 1.00 C ATOM 723 CG GLN A 49 1.495 0.982 8.534 1.00 1.00 C ATOM 724 CD GLN A 49 0.322 0.510 9.376 1.00 1.00 C ATOM 725 OE1 GLN A 49 -0.505 -0.276 8.912 1.00 1.00 O ATOM 726 NE2 GLN A 49 0.217 0.925 10.606 1.00 1.00 N ATOM 0 H GLN A 49 2.787 -0.040 5.696 1.00 1.00 H new ATOM 0 HA GLN A 49 4.083 1.240 8.034 1.00 1.00 H new ATOM 0 HB2 GLN A 49 1.987 -0.967 7.753 1.00 1.00 H new ATOM 0 HB3 GLN A 49 2.773 -0.590 9.273 1.00 1.00 H new ATOM 0 HG2 GLN A 49 2.001 1.810 9.031 1.00 1.00 H new ATOM 0 HG3 GLN A 49 1.138 1.356 7.574 1.00 1.00 H new ATOM 0 HE21 GLN A 49 0.905 1.576 10.985 1.00 1.00 H new ATOM 0 HE22 GLN A 49 -0.553 0.599 11.190 1.00 1.00 H new ATOM 735 N LEU A 50 5.824 -0.498 8.342 1.00 1.00 N ATOM 736 CA LEU A 50 6.917 -1.464 8.462 1.00 1.00 C ATOM 737 C LEU A 50 6.827 -2.167 9.815 1.00 1.00 C ATOM 738 O LEU A 50 6.746 -1.518 10.857 1.00 1.00 O ATOM 739 CB LEU A 50 8.270 -0.741 8.337 1.00 1.00 C ATOM 740 CG LEU A 50 8.668 -0.603 6.861 1.00 1.00 C ATOM 741 CD1 LEU A 50 7.522 0.032 6.070 1.00 1.00 C ATOM 742 CD2 LEU A 50 9.918 0.278 6.759 1.00 1.00 C ATOM 0 H LEU A 50 5.951 0.353 8.889 1.00 1.00 H new ATOM 0 HA LEU A 50 6.836 -2.203 7.665 1.00 1.00 H new ATOM 0 HB2 LEU A 50 8.207 0.245 8.797 1.00 1.00 H new ATOM 0 HB3 LEU A 50 9.037 -1.296 8.877 1.00 1.00 H new ATOM 0 HG LEU A 50 8.879 -1.589 6.447 1.00 1.00 H new ATOM 0 HD11 LEU A 50 7.811 0.127 5.023 1.00 1.00 H new ATOM 0 HD12 LEU A 50 6.635 -0.597 6.146 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.302 1.019 6.477 1.00 1.00 H new ATOM 0 HD21 LEU A 50 10.207 0.380 5.713 1.00 1.00 H new ATOM 0 HD22 LEU A 50 9.704 1.263 7.174 1.00 1.00 H new ATOM 0 HD23 LEU A 50 10.734 -0.182 7.317 1.00 1.00 H new ATOM 754 N HIS A 51 6.839 -3.498 9.788 1.00 1.00 N ATOM 755 CA HIS A 51 6.759 -4.285 11.015 1.00 1.00 C ATOM 756 C HIS A 51 8.159 -4.639 11.508 1.00 1.00 C ATOM 757 O HIS A 51 8.352 -5.632 12.209 1.00 1.00 O ATOM 758 CB HIS A 51 5.961 -5.565 10.759 1.00 1.00 C ATOM 759 CG HIS A 51 5.739 -6.291 12.056 1.00 1.00 C ATOM 760 ND1 HIS A 51 4.800 -5.873 12.986 1.00 1.00 N ATOM 761 CD2 HIS A 51 6.323 -7.412 12.591 1.00 1.00 C ATOM 762 CE1 HIS A 51 4.844 -6.729 14.021 1.00 1.00 C ATOM 763 NE2 HIS A 51 5.755 -7.688 13.832 1.00 1.00 N ATOM 0 H HIS A 51 6.903 -4.051 8.934 1.00 1.00 H new ATOM 0 HA HIS A 51 6.256 -3.694 11.780 1.00 1.00 H new ATOM 0 HB2 HIS A 51 5.003 -5.322 10.298 1.00 1.00 H new ATOM 0 HB3 HIS A 51 6.498 -6.206 10.059 1.00 1.00 H new ATOM 0 HD2 HIS A 51 7.104 -7.992 12.121 1.00 1.00 H new ATOM 0 HE1 HIS A 51 4.219 -6.651 14.899 1.00 1.00 H new ATOM 0 HE2 HIS A 51 5.985 -8.457 14.461 1.00 1.00 H new ATOM 771 N GLU A 52 9.136 -3.815 11.135 1.00 1.00 N ATOM 772 CA GLU A 52 10.517 -4.045 11.546 1.00 1.00 C ATOM 773 C GLU A 52 10.610 -4.154 13.065 1.00 1.00 C ATOM 774 O GLU A 52 9.975 -3.388 13.791 1.00 1.00 O ATOM 775 CB GLU A 52 11.403 -2.895 11.057 1.00 1.00 C ATOM 776 CG GLU A 52 11.562 -2.979 9.537 1.00 1.00 C ATOM 777 CD GLU A 52 12.331 -1.766 9.025 1.00 1.00 C ATOM 778 OE1 GLU A 52 12.704 -0.938 9.841 1.00 1.00 O ATOM 779 OE2 GLU A 52 12.535 -1.680 7.825 1.00 1.00 O ATOM 0 H GLU A 52 8.998 -2.989 10.553 1.00 1.00 H new ATOM 0 HA GLU A 52 10.860 -4.981 11.105 1.00 1.00 H new ATOM 0 HB2 GLU A 52 10.960 -1.938 11.334 1.00 1.00 H new ATOM 0 HB3 GLU A 52 12.380 -2.945 11.538 1.00 1.00 H new ATOM 0 HG2 GLU A 52 12.090 -3.894 9.268 1.00 1.00 H new ATOM 0 HG3 GLU A 52 10.582 -3.025 9.063 1.00 1.00 H new ATOM 786 N LYS A 53 11.396 -5.114 13.541 1.00 1.00 N ATOM 787 CA LYS A 53 11.551 -5.312 14.976 1.00 1.00 C ATOM 788 C LYS A 53 12.180 -4.077 15.615 1.00 1.00 C ATOM 789 O LYS A 53 11.797 -3.672 16.714 1.00 1.00 O ATOM 790 CB LYS A 53 12.427 -6.540 15.255 1.00 1.00 C ATOM 791 CG LYS A 53 11.706 -7.806 14.776 1.00 1.00 C ATOM 792 CD LYS A 53 12.576 -9.034 15.064 1.00 1.00 C ATOM 793 CE LYS A 53 11.827 -10.309 14.657 1.00 1.00 C ATOM 794 NZ LYS A 53 11.567 -10.289 13.189 1.00 1.00 N ATOM 0 H LYS A 53 11.930 -5.761 12.960 1.00 1.00 H new ATOM 0 HA LYS A 53 10.564 -5.475 15.409 1.00 1.00 H new ATOM 0 HB2 LYS A 53 13.385 -6.440 14.744 1.00 1.00 H new ATOM 0 HB3 LYS A 53 12.640 -6.612 16.321 1.00 1.00 H new ATOM 0 HG2 LYS A 53 10.745 -7.902 15.281 1.00 1.00 H new ATOM 0 HG3 LYS A 53 11.499 -7.737 13.708 1.00 1.00 H new ATOM 0 HD2 LYS A 53 13.515 -8.962 14.515 1.00 1.00 H new ATOM 0 HD3 LYS A 53 12.828 -9.072 16.124 1.00 1.00 H new ATOM 0 HE2 LYS A 53 12.415 -11.188 14.920 1.00 1.00 H new ATOM 0 HE3 LYS A 53 10.886 -10.380 15.202 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 11.329 -11.248 12.866 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 10.774 -9.648 12.986 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 12.417 -9.957 12.690 1.00 1.00 H new ATOM 808 N GLU A 54 13.154 -3.484 14.925 1.00 1.00 N ATOM 809 CA GLU A 54 13.837 -2.299 15.446 1.00 1.00 C ATOM 810 C GLU A 54 12.821 -1.227 15.815 1.00 1.00 C ATOM 811 O GLU A 54 12.842 -0.691 16.921 1.00 1.00 O ATOM 812 CB GLU A 54 14.795 -1.734 14.394 1.00 1.00 C ATOM 813 CG GLU A 54 15.820 -2.798 14.022 1.00 1.00 C ATOM 814 CD GLU A 54 16.797 -2.247 12.989 1.00 1.00 C ATOM 815 OE1 GLU A 54 16.626 -1.107 12.589 1.00 1.00 O ATOM 816 OE2 GLU A 54 17.706 -2.972 12.614 1.00 1.00 O ATOM 0 H GLU A 54 13.486 -3.800 14.014 1.00 1.00 H new ATOM 0 HA GLU A 54 14.400 -2.591 16.333 1.00 1.00 H new ATOM 0 HB2 GLU A 54 14.239 -1.423 13.509 1.00 1.00 H new ATOM 0 HB3 GLU A 54 15.298 -0.848 14.782 1.00 1.00 H new ATOM 0 HG2 GLU A 54 16.362 -3.119 14.912 1.00 1.00 H new ATOM 0 HG3 GLU A 54 15.314 -3.677 13.623 1.00 1.00 H new ATOM 823 N GLN A 55 11.931 -0.921 14.879 1.00 1.00 N ATOM 824 CA GLN A 55 10.900 0.089 15.118 1.00 1.00 C ATOM 825 C GLN A 55 9.820 0.026 14.040 1.00 1.00 C ATOM 826 O GLN A 55 10.099 -0.300 12.888 1.00 1.00 O ATOM 827 CB GLN A 55 11.530 1.490 15.133 1.00 1.00 C ATOM 828 CG GLN A 55 10.484 2.542 15.520 1.00 1.00 C ATOM 829 CD GLN A 55 10.030 2.324 16.957 1.00 1.00 C ATOM 830 OE1 GLN A 55 10.838 2.398 17.883 1.00 1.00 O ATOM 831 NE2 GLN A 55 8.779 2.052 17.200 1.00 1.00 N ATOM 0 H GLN A 55 11.899 -1.351 13.955 1.00 1.00 H new ATOM 0 HA GLN A 55 10.441 -0.114 16.086 1.00 1.00 H new ATOM 0 HB2 GLN A 55 12.359 1.515 15.840 1.00 1.00 H new ATOM 0 HB3 GLN A 55 11.941 1.721 14.151 1.00 1.00 H new ATOM 0 HG2 GLN A 55 10.905 3.542 15.411 1.00 1.00 H new ATOM 0 HG3 GLN A 55 9.629 2.481 14.847 1.00 1.00 H new ATOM 0 HE21 GLN A 55 8.112 1.991 16.431 1.00 1.00 H new ATOM 0 HE22 GLN A 55 8.467 1.900 18.159 1.00 1.00 H new ATOM 840 N HIS A 56 8.587 0.355 14.423 1.00 1.00 N ATOM 841 CA HIS A 56 7.472 0.346 13.479 1.00 1.00 C ATOM 842 C HIS A 56 7.447 1.653 12.694 1.00 1.00 C ATOM 843 O HIS A 56 6.769 2.605 13.076 1.00 1.00 O ATOM 844 CB HIS A 56 6.150 0.175 14.235 1.00 1.00 C ATOM 845 CG HIS A 56 5.034 -0.061 13.256 1.00 1.00 C ATOM 846 ND1 HIS A 56 4.385 0.980 12.611 1.00 1.00 N ATOM 847 CD2 HIS A 56 4.436 -1.212 12.804 1.00 1.00 C ATOM 848 CE1 HIS A 56 3.444 0.440 11.815 1.00 1.00 C ATOM 849 NE2 HIS A 56 3.431 -0.893 11.895 1.00 1.00 N ATOM 0 H HIS A 56 8.337 0.629 15.373 1.00 1.00 H new ATOM 0 HA HIS A 56 7.600 -0.487 12.787 1.00 1.00 H new ATOM 0 HB2 HIS A 56 6.222 -0.663 14.928 1.00 1.00 H new ATOM 0 HB3 HIS A 56 5.943 1.064 14.830 1.00 1.00 H new ATOM 0 HD1 HIS A 56 4.584 1.974 12.720 1.00 1.00 H new ATOM 0 HD2 HIS A 56 4.705 -2.213 13.108 1.00 1.00 H new ATOM 0 HE1 HIS A 56 2.780 1.015 11.187 1.00 1.00 H new ATOM 857 N VAL A 57 8.196 1.695 11.596 1.00 1.00 N ATOM 858 CA VAL A 57 8.256 2.895 10.769 1.00 1.00 C ATOM 859 C VAL A 57 7.045 2.970 9.847 1.00 1.00 C ATOM 860 O VAL A 57 6.674 1.985 9.211 1.00 1.00 O ATOM 861 CB VAL A 57 9.532 2.897 9.930 1.00 1.00 C ATOM 862 CG1 VAL A 57 9.784 4.302 9.377 1.00 1.00 C ATOM 863 CG2 VAL A 57 10.713 2.468 10.802 1.00 1.00 C ATOM 0 H VAL A 57 8.766 0.918 11.260 1.00 1.00 H new ATOM 0 HA VAL A 57 8.256 3.762 11.429 1.00 1.00 H new ATOM 0 HB VAL A 57 9.421 2.200 9.099 1.00 1.00 H new ATOM 0 HG11 VAL A 57 10.695 4.300 8.779 1.00 1.00 H new ATOM 0 HG12 VAL A 57 8.942 4.604 8.754 1.00 1.00 H new ATOM 0 HG13 VAL A 57 9.894 5.004 10.204 1.00 1.00 H new ATOM 0 HG21 VAL A 57 11.625 2.469 10.205 1.00 1.00 H new ATOM 0 HG22 VAL A 57 10.823 3.164 11.634 1.00 1.00 H new ATOM 0 HG23 VAL A 57 10.534 1.465 11.190 1.00 1.00 H new ATOM 873 N GLN A 58 6.431 4.147 9.783 1.00 1.00 N ATOM 874 CA GLN A 58 5.251 4.352 8.938 1.00 1.00 C ATOM 875 C GLN A 58 5.436 5.569 8.038 1.00 1.00 C ATOM 876 O GLN A 58 5.589 6.692 8.521 1.00 1.00 O ATOM 877 CB GLN A 58 4.018 4.553 9.821 1.00 1.00 C ATOM 878 CG GLN A 58 2.781 4.770 8.947 1.00 1.00 C ATOM 879 CD GLN A 58 1.535 4.826 9.821 1.00 1.00 C ATOM 880 OE1 GLN A 58 1.413 5.702 10.679 1.00 1.00 O ATOM 881 NE2 GLN A 58 0.595 3.939 9.655 1.00 1.00 N ATOM 0 H GLN A 58 6.727 4.973 10.303 1.00 1.00 H new ATOM 0 HA GLN A 58 5.117 3.472 8.310 1.00 1.00 H new ATOM 0 HB2 GLN A 58 3.873 3.683 10.462 1.00 1.00 H new ATOM 0 HB3 GLN A 58 4.166 5.411 10.477 1.00 1.00 H new ATOM 0 HG2 GLN A 58 2.882 5.697 8.382 1.00 1.00 H new ATOM 0 HG3 GLN A 58 2.691 3.962 8.221 1.00 1.00 H new ATOM 0 HE21 GLN A 58 0.697 3.214 8.944 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -0.243 3.969 10.236 1.00 1.00 H new ATOM 890 N ASP A 59 5.398 5.340 6.727 1.00 1.00 N ATOM 891 CA ASP A 59 5.537 6.421 5.748 1.00 1.00 C ATOM 892 C ASP A 59 4.210 6.626 5.027 1.00 1.00 C ATOM 893 O ASP A 59 3.607 5.670 4.540 1.00 1.00 O ATOM 894 CB ASP A 59 6.630 6.071 4.734 1.00 1.00 C ATOM 895 CG ASP A 59 7.998 6.109 5.407 1.00 1.00 C ATOM 896 OD1 ASP A 59 8.086 6.647 6.498 1.00 1.00 O ATOM 897 OD2 ASP A 59 8.940 5.598 4.821 1.00 1.00 O ATOM 0 H ASP A 59 5.272 4.415 6.316 1.00 1.00 H new ATOM 0 HA ASP A 59 5.815 7.340 6.264 1.00 1.00 H new ATOM 0 HB2 ASP A 59 6.448 5.080 4.318 1.00 1.00 H new ATOM 0 HB3 ASP A 59 6.605 6.775 3.902 1.00 1.00 H new ATOM 902 N ILE A 60 3.749 7.875 4.971 1.00 1.00 N ATOM 903 CA ILE A 60 2.478 8.187 4.314 1.00 1.00 C ATOM 904 C ILE A 60 2.723 8.651 2.884 1.00 1.00 C ATOM 905 O ILE A 60 3.326 9.698 2.657 1.00 1.00 O ATOM 906 CB ILE A 60 1.752 9.281 5.097 1.00 1.00 C ATOM 907 CG1 ILE A 60 1.484 8.785 6.519 1.00 1.00 C ATOM 908 CG2 ILE A 60 0.422 9.600 4.409 1.00 1.00 C ATOM 909 CD1 ILE A 60 0.985 9.942 7.381 1.00 1.00 C ATOM 0 H ILE A 60 4.231 8.681 5.368 1.00 1.00 H new ATOM 0 HA ILE A 60 1.861 7.288 4.289 1.00 1.00 H new ATOM 0 HB ILE A 60 2.367 10.180 5.132 1.00 1.00 H new ATOM 0 HG12 ILE A 60 0.743 7.985 6.502 1.00 1.00 H new ATOM 0 HG13 ILE A 60 2.395 8.367 6.947 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -0.098 10.380 4.966 1.00 1.00 H new ATOM 0 HG22 ILE A 60 0.612 9.945 3.392 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -0.196 8.703 4.378 1.00 1.00 H new ATOM 0 HD11 ILE A 60 0.795 9.586 8.393 1.00 1.00 H new ATOM 0 HD12 ILE A 60 1.740 10.727 7.408 1.00 1.00 H new ATOM 0 HD13 ILE A 60 0.063 10.340 6.957 1.00 1.00 H new ATOM 921 N ILE A 61 2.253 7.860 1.916 1.00 1.00 N ATOM 922 CA ILE A 61 2.429 8.190 0.497 1.00 1.00 C ATOM 923 C ILE A 61 1.064 8.456 -0.159 1.00 1.00 C ATOM 924 O ILE A 61 0.198 7.582 -0.143 1.00 1.00 O ATOM 925 CB ILE A 61 3.105 7.020 -0.218 1.00 1.00 C ATOM 926 CG1 ILE A 61 4.375 6.599 0.540 1.00 1.00 C ATOM 927 CG2 ILE A 61 3.471 7.432 -1.643 1.00 1.00 C ATOM 928 CD1 ILE A 61 5.307 7.801 0.750 1.00 1.00 C ATOM 0 H ILE A 61 1.749 6.990 2.087 1.00 1.00 H new ATOM 0 HA ILE A 61 3.048 9.084 0.418 1.00 1.00 H new ATOM 0 HB ILE A 61 2.415 6.177 -0.249 1.00 1.00 H new ATOM 0 HG12 ILE A 61 4.103 6.171 1.505 1.00 1.00 H new ATOM 0 HG13 ILE A 61 4.897 5.822 -0.018 1.00 1.00 H new ATOM 0 HG21 ILE A 61 3.953 6.597 -2.151 1.00 1.00 H new ATOM 0 HG22 ILE A 61 2.567 7.713 -2.184 1.00 1.00 H new ATOM 0 HG23 ILE A 61 4.154 8.281 -1.612 1.00 1.00 H new ATOM 0 HD11 ILE A 61 6.199 7.480 1.288 1.00 1.00 H new ATOM 0 HD12 ILE A 61 5.595 8.211 -0.218 1.00 1.00 H new ATOM 0 HD13 ILE A 61 4.789 8.566 1.329 1.00 1.00 H new ATOM 940 N PRO A 62 0.835 9.623 -0.727 1.00 1.00 N ATOM 941 CA PRO A 62 -0.471 9.945 -1.373 1.00 1.00 C ATOM 942 C PRO A 62 -0.643 9.257 -2.725 1.00 1.00 C ATOM 943 O PRO A 62 0.334 8.913 -3.389 1.00 1.00 O ATOM 944 CB PRO A 62 -0.437 11.471 -1.509 1.00 1.00 C ATOM 945 CG PRO A 62 1.010 11.810 -1.650 1.00 1.00 C ATOM 946 CD PRO A 62 1.777 10.759 -0.836 1.00 1.00 C ATOM 0 HA PRO A 62 -1.319 9.589 -0.788 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -1.007 11.803 -2.376 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -0.873 11.956 -0.636 1.00 1.00 H new ATOM 0 HG2 PRO A 62 1.314 11.790 -2.696 1.00 1.00 H new ATOM 0 HG3 PRO A 62 1.213 12.814 -1.278 1.00 1.00 H new ATOM 0 HD2 PRO A 62 2.700 10.464 -1.336 1.00 1.00 H new ATOM 0 HD3 PRO A 62 2.055 11.141 0.146 1.00 1.00 H new ATOM 954 N ILE A 63 -1.901 9.064 -3.122 1.00 1.00 N ATOM 955 CA ILE A 63 -2.221 8.420 -4.396 1.00 1.00 C ATOM 956 C ILE A 63 -2.526 9.469 -5.459 1.00 1.00 C ATOM 957 O ILE A 63 -3.530 10.176 -5.378 1.00 1.00 O ATOM 958 CB ILE A 63 -3.427 7.498 -4.208 1.00 1.00 C ATOM 959 CG1 ILE A 63 -3.022 6.330 -3.305 1.00 1.00 C ATOM 960 CG2 ILE A 63 -3.887 6.955 -5.561 1.00 1.00 C ATOM 961 CD1 ILE A 63 -4.265 5.559 -2.850 1.00 1.00 C ATOM 0 H ILE A 63 -2.717 9.345 -2.578 1.00 1.00 H new ATOM 0 HA ILE A 63 -1.363 7.834 -4.726 1.00 1.00 H new ATOM 0 HB ILE A 63 -4.244 8.058 -3.754 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -2.347 5.663 -3.841 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -2.478 6.703 -2.437 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -4.746 6.300 -5.417 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -4.168 7.785 -6.209 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -3.075 6.393 -6.023 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -3.965 4.731 -2.208 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -4.925 6.227 -2.296 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -4.791 5.170 -3.722 1.00 1.00 H new ATOM 973 N ASN A 64 -1.647 9.556 -6.455 1.00 1.00 N ATOM 974 CA ASN A 64 -1.809 10.514 -7.541 1.00 1.00 C ATOM 975 C ASN A 64 -0.951 10.103 -8.734 1.00 1.00 C ATOM 976 O ASN A 64 -0.540 8.948 -8.845 1.00 1.00 O ATOM 977 CB ASN A 64 -1.396 11.912 -7.066 1.00 1.00 C ATOM 978 CG ASN A 64 -2.341 12.400 -5.973 1.00 1.00 C ATOM 979 OD1 ASN A 64 -3.555 12.446 -6.177 1.00 1.00 O ATOM 980 ND2 ASN A 64 -1.856 12.763 -4.818 1.00 1.00 N ATOM 0 H ASN A 64 -0.814 8.972 -6.530 1.00 1.00 H new ATOM 0 HA ASN A 64 -2.856 10.531 -7.844 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -0.374 11.888 -6.688 1.00 1.00 H new ATOM 0 HB3 ASN A 64 -1.410 12.607 -7.905 1.00 1.00 H new ATOM 0 HD21 ASN A 64 -2.482 13.086 -4.081 1.00 1.00 H new ATOM 0 HD22 ASN A 64 -0.850 12.724 -4.652 1.00 1.00 H new ATOM 987 N SER A 65 -0.683 11.052 -9.623 1.00 1.00 N ATOM 988 CA SER A 65 0.127 10.779 -10.805 1.00 1.00 C ATOM 989 C SER A 65 1.528 10.307 -10.414 1.00 1.00 C ATOM 990 O SER A 65 2.072 9.387 -11.024 1.00 1.00 O ATOM 991 CB SER A 65 0.229 12.041 -11.664 1.00 1.00 C ATOM 992 OG SER A 65 0.990 11.755 -12.831 1.00 1.00 O ATOM 0 H SER A 65 -1.013 12.014 -9.549 1.00 1.00 H new ATOM 0 HA SER A 65 -0.356 9.985 -11.375 1.00 1.00 H new ATOM 0 HB2 SER A 65 -0.767 12.388 -11.941 1.00 1.00 H new ATOM 0 HB3 SER A 65 0.700 12.844 -11.097 1.00 1.00 H new ATOM 0 HG SER A 65 1.056 12.561 -13.384 1.00 1.00 H new ATOM 998 N HIS A 66 2.112 10.949 -9.407 1.00 1.00 N ATOM 999 CA HIS A 66 3.455 10.586 -8.961 1.00 1.00 C ATOM 1000 C HIS A 66 3.471 9.180 -8.354 1.00 1.00 C ATOM 1001 O HIS A 66 4.433 8.432 -8.531 1.00 1.00 O ATOM 1002 CB HIS A 66 3.962 11.599 -7.930 1.00 1.00 C ATOM 1003 CG HIS A 66 4.070 12.960 -8.568 1.00 1.00 C ATOM 1004 ND1 HIS A 66 5.037 13.261 -9.516 1.00 1.00 N ATOM 1005 CD2 HIS A 66 3.340 14.111 -8.400 1.00 1.00 C ATOM 1006 CE1 HIS A 66 4.864 14.547 -9.878 1.00 1.00 C ATOM 1007 NE2 HIS A 66 3.843 15.111 -9.227 1.00 1.00 N ATOM 0 H HIS A 66 1.683 11.715 -8.888 1.00 1.00 H new ATOM 0 HA HIS A 66 4.112 10.595 -9.830 1.00 1.00 H new ATOM 0 HB2 HIS A 66 3.282 11.638 -7.079 1.00 1.00 H new ATOM 0 HB3 HIS A 66 4.934 11.288 -7.547 1.00 1.00 H new ATOM 0 HD2 HIS A 66 2.502 14.223 -7.728 1.00 1.00 H new ATOM 0 HE1 HIS A 66 5.476 15.059 -10.606 1.00 1.00 H new ATOM 0 HE2 HIS A 66 3.505 16.069 -9.317 1.00 1.00 H new ATOM 1015 N PHE A 67 2.401 8.827 -7.642 1.00 1.00 N ATOM 1016 CA PHE A 67 2.293 7.511 -7.011 1.00 1.00 C ATOM 1017 C PHE A 67 1.570 6.541 -7.939 1.00 1.00 C ATOM 1018 O PHE A 67 0.444 6.796 -8.364 1.00 1.00 O ATOM 1019 CB PHE A 67 1.518 7.634 -5.687 1.00 1.00 C ATOM 1020 CG PHE A 67 1.096 6.262 -5.192 1.00 1.00 C ATOM 1021 CD1 PHE A 67 -0.105 5.700 -5.643 1.00 1.00 C ATOM 1022 CD2 PHE A 67 1.899 5.557 -4.286 1.00 1.00 C ATOM 1023 CE1 PHE A 67 -0.503 4.437 -5.192 1.00 1.00 C ATOM 1024 CE2 PHE A 67 1.499 4.293 -3.834 1.00 1.00 C ATOM 1025 CZ PHE A 67 0.298 3.734 -4.287 1.00 1.00 C ATOM 0 H PHE A 67 1.596 9.434 -7.487 1.00 1.00 H new ATOM 0 HA PHE A 67 3.295 7.131 -6.812 1.00 1.00 H new ATOM 0 HB2 PHE A 67 2.141 8.122 -4.938 1.00 1.00 H new ATOM 0 HB3 PHE A 67 0.639 8.263 -5.830 1.00 1.00 H new ATOM 0 HD1 PHE A 67 -0.725 6.243 -6.341 1.00 1.00 H new ATOM 0 HD2 PHE A 67 2.826 5.988 -3.936 1.00 1.00 H new ATOM 0 HE1 PHE A 67 -1.429 4.005 -5.543 1.00 1.00 H new ATOM 0 HE2 PHE A 67 2.118 3.749 -3.135 1.00 1.00 H new ATOM 0 HZ PHE A 67 -0.010 2.760 -3.937 1.00 1.00 H new ATOM 1035 N ARG A 68 2.221 5.420 -8.239 1.00 1.00 N ATOM 1036 CA ARG A 68 1.624 4.405 -9.107 1.00 1.00 C ATOM 1037 C ARG A 68 1.835 3.011 -8.532 1.00 1.00 C ATOM 1038 O ARG A 68 2.894 2.698 -7.984 1.00 1.00 O ATOM 1039 CB ARG A 68 2.232 4.481 -10.506 1.00 1.00 C ATOM 1040 CG ARG A 68 1.741 5.746 -11.209 1.00 1.00 C ATOM 1041 CD ARG A 68 2.352 5.814 -12.608 1.00 1.00 C ATOM 1042 NE ARG A 68 1.875 7.004 -13.309 1.00 1.00 N ATOM 1043 CZ ARG A 68 2.383 7.373 -14.484 1.00 1.00 C ATOM 1044 NH1 ARG A 68 3.379 6.711 -15.007 1.00 1.00 N ATOM 1045 NH2 ARG A 68 1.893 8.410 -15.109 1.00 1.00 N ATOM 0 H ARG A 68 3.155 5.191 -7.898 1.00 1.00 H new ATOM 0 HA ARG A 68 0.553 4.600 -9.169 1.00 1.00 H new ATOM 0 HB2 ARG A 68 3.320 4.488 -10.441 1.00 1.00 H new ATOM 0 HB3 ARG A 68 1.953 3.600 -11.084 1.00 1.00 H new ATOM 0 HG2 ARG A 68 0.653 5.741 -11.274 1.00 1.00 H new ATOM 0 HG3 ARG A 68 2.022 6.628 -10.634 1.00 1.00 H new ATOM 0 HD2 ARG A 68 3.439 5.836 -12.537 1.00 1.00 H new ATOM 0 HD3 ARG A 68 2.087 4.920 -13.172 1.00 1.00 H new ATOM 0 HE ARG A 68 1.135 7.566 -12.888 1.00 1.00 H new ATOM 0 HH11 ARG A 68 3.771 5.908 -14.516 1.00 1.00 H new ATOM 0 HH12 ARG A 68 3.765 6.997 -15.907 1.00 1.00 H new ATOM 0 HH21 ARG A 68 1.122 8.936 -14.697 1.00 1.00 H new ATOM 0 HH22 ARG A 68 2.281 8.694 -16.009 1.00 1.00 H new ATOM 1059 N CYS A 69 0.812 2.174 -8.677 1.00 1.00 N ATOM 1060 CA CYS A 69 0.857 0.793 -8.192 1.00 1.00 C ATOM 1061 C CYS A 69 0.826 -0.157 -9.381 1.00 1.00 C ATOM 1062 O CYS A 69 -0.235 -0.421 -9.946 1.00 1.00 O ATOM 1063 CB CYS A 69 -0.347 0.522 -7.285 1.00 1.00 C ATOM 1064 SG CYS A 69 -1.878 0.802 -8.210 1.00 1.00 S ATOM 0 H CYS A 69 -0.066 2.428 -9.130 1.00 1.00 H new ATOM 0 HA CYS A 69 1.773 0.638 -7.623 1.00 1.00 H new ATOM 0 HB2 CYS A 69 -0.315 -0.504 -6.917 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -0.312 1.175 -6.413 1.00 1.00 H new ATOM 0 HG CYS A 69 -2.055 2.079 -8.380 1.00 1.00 H new ATOM 1070 N VAL A 70 1.997 -0.663 -9.767 1.00 1.00 N ATOM 1071 CA VAL A 70 2.093 -1.575 -10.914 1.00 1.00 C ATOM 1072 C VAL A 70 2.413 -2.990 -10.461 1.00 1.00 C ATOM 1073 O VAL A 70 3.358 -3.216 -9.710 1.00 1.00 O ATOM 1074 CB VAL A 70 3.178 -1.087 -11.879 1.00 1.00 C ATOM 1075 CG1 VAL A 70 2.782 0.280 -12.438 1.00 1.00 C ATOM 1076 CG2 VAL A 70 4.514 -0.961 -11.141 1.00 1.00 C ATOM 0 H VAL A 70 2.886 -0.461 -9.310 1.00 1.00 H new ATOM 0 HA VAL A 70 1.128 -1.585 -11.422 1.00 1.00 H new ATOM 0 HB VAL A 70 3.282 -1.804 -12.693 1.00 1.00 H new ATOM 0 HG11 VAL A 70 3.553 0.629 -13.125 1.00 1.00 H new ATOM 0 HG12 VAL A 70 1.834 0.195 -12.969 1.00 1.00 H new ATOM 0 HG13 VAL A 70 2.677 0.991 -11.619 1.00 1.00 H new ATOM 0 HG21 VAL A 70 5.281 -0.614 -11.833 1.00 1.00 H new ATOM 0 HG22 VAL A 70 4.412 -0.247 -10.324 1.00 1.00 H new ATOM 0 HG23 VAL A 70 4.801 -1.933 -10.740 1.00 1.00 H new ATOM 1086 N GLN A 71 1.610 -3.943 -10.927 1.00 1.00 N ATOM 1087 CA GLN A 71 1.805 -5.340 -10.565 1.00 1.00 C ATOM 1088 C GLN A 71 2.909 -5.964 -11.421 1.00 1.00 C ATOM 1089 O GLN A 71 2.768 -6.068 -12.640 1.00 1.00 O ATOM 1090 CB GLN A 71 0.492 -6.116 -10.769 1.00 1.00 C ATOM 1091 CG GLN A 71 0.483 -7.373 -9.890 1.00 1.00 C ATOM 1092 CD GLN A 71 0.159 -7.003 -8.447 1.00 1.00 C ATOM 1093 OE1 GLN A 71 -0.820 -6.303 -8.189 1.00 1.00 O ATOM 1094 NE2 GLN A 71 0.929 -7.433 -7.485 1.00 1.00 N ATOM 0 H GLN A 71 0.823 -3.773 -11.553 1.00 1.00 H new ATOM 0 HA GLN A 71 2.101 -5.393 -9.517 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -0.358 -5.481 -10.519 1.00 1.00 H new ATOM 0 HB3 GLN A 71 0.384 -6.395 -11.817 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -0.254 -8.083 -10.265 1.00 1.00 H new ATOM 0 HG3 GLN A 71 1.454 -7.866 -9.938 1.00 1.00 H new ATOM 0 HE21 GLN A 71 1.740 -8.013 -7.701 1.00 1.00 H new ATOM 0 HE22 GLN A 71 0.720 -7.189 -6.517 1.00 1.00 H new ATOM 1103 N GLU A 72 3.995 -6.387 -10.769 1.00 1.00 N ATOM 1104 CA GLU A 72 5.124 -7.016 -11.467 1.00 1.00 C ATOM 1105 C GLU A 72 5.310 -6.442 -12.866 1.00 1.00 C ATOM 1106 O GLU A 72 5.610 -7.169 -13.813 1.00 1.00 O ATOM 1107 CB GLU A 72 4.911 -8.528 -11.569 1.00 1.00 C ATOM 1108 CG GLU A 72 3.602 -8.837 -12.312 1.00 1.00 C ATOM 1109 CD GLU A 72 3.504 -10.332 -12.603 1.00 1.00 C ATOM 1110 OE1 GLU A 72 4.481 -11.026 -12.373 1.00 1.00 O ATOM 1111 OE2 GLU A 72 2.450 -10.762 -13.045 1.00 1.00 O ATOM 0 H GLU A 72 4.118 -6.306 -9.760 1.00 1.00 H new ATOM 0 HA GLU A 72 6.021 -6.807 -10.885 1.00 1.00 H new ATOM 0 HB2 GLU A 72 5.750 -8.985 -12.093 1.00 1.00 H new ATOM 0 HB3 GLU A 72 4.882 -8.965 -10.571 1.00 1.00 H new ATOM 0 HG2 GLU A 72 2.750 -8.519 -11.711 1.00 1.00 H new ATOM 0 HG3 GLU A 72 3.562 -8.274 -13.244 1.00 1.00 H new ATOM 1229 N ASP A 80 -6.027 -5.049 -12.151 1.00 1.00 N ATOM 1230 CA ASP A 80 -5.280 -5.536 -10.988 1.00 1.00 C ATOM 1231 C ASP A 80 -5.904 -6.827 -10.468 1.00 1.00 C ATOM 1232 O ASP A 80 -5.227 -7.670 -9.878 1.00 1.00 O ATOM 1233 CB ASP A 80 -5.285 -4.482 -9.884 1.00 1.00 C ATOM 1234 CG ASP A 80 -4.422 -3.292 -10.290 1.00 1.00 C ATOM 1235 OD1 ASP A 80 -3.664 -3.430 -11.237 1.00 1.00 O ATOM 1236 OD2 ASP A 80 -4.529 -2.261 -9.646 1.00 1.00 O ATOM 0 HA ASP A 80 -4.251 -5.733 -11.290 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -6.306 -4.152 -9.691 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -4.909 -4.914 -8.957 1.00 1.00 H new ATOM 1241 N ILE A 81 -7.205 -6.971 -10.697 1.00 1.00 N ATOM 1242 CA ILE A 81 -7.933 -8.156 -10.262 1.00 1.00 C ATOM 1243 C ILE A 81 -7.409 -9.402 -10.972 1.00 1.00 C ATOM 1244 O ILE A 81 -7.247 -10.456 -10.360 1.00 1.00 O ATOM 1245 CB ILE A 81 -9.429 -7.977 -10.550 1.00 1.00 C ATOM 1246 CG1 ILE A 81 -9.990 -6.883 -9.639 1.00 1.00 C ATOM 1247 CG2 ILE A 81 -10.177 -9.287 -10.285 1.00 1.00 C ATOM 1248 CD1 ILE A 81 -11.397 -6.495 -10.099 1.00 1.00 C ATOM 0 H ILE A 81 -7.777 -6.280 -11.182 1.00 1.00 H new ATOM 0 HA ILE A 81 -7.784 -8.284 -9.190 1.00 1.00 H new ATOM 0 HB ILE A 81 -9.560 -7.696 -11.595 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -10.019 -7.235 -8.608 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -9.337 -6.010 -9.659 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -11.238 -9.149 -10.493 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -9.780 -10.070 -10.931 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -10.046 -9.576 -9.242 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -11.791 -5.716 -9.447 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -11.356 -6.124 -11.123 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -12.048 -7.368 -10.055 1.00 1.00 H new ATOM 1260 N ALA A 82 -7.164 -9.270 -12.270 1.00 1.00 N ATOM 1261 CA ALA A 82 -6.674 -10.393 -13.068 1.00 1.00 C ATOM 1262 C ALA A 82 -5.392 -10.968 -12.478 1.00 1.00 C ATOM 1263 O ALA A 82 -5.081 -12.145 -12.672 1.00 1.00 O ATOM 1264 CB ALA A 82 -6.409 -9.934 -14.504 1.00 1.00 C ATOM 0 H ALA A 82 -7.295 -8.404 -12.792 1.00 1.00 H new ATOM 0 HA ALA A 82 -7.438 -11.170 -13.062 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -6.044 -10.775 -15.093 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -7.333 -9.558 -14.942 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -5.660 -9.142 -14.500 1.00 1.00 H new ATOM 1270 N SER A 83 -4.649 -10.132 -11.752 1.00 1.00 N ATOM 1271 CA SER A 83 -3.396 -10.564 -11.130 1.00 1.00 C ATOM 1272 C SER A 83 -3.598 -10.768 -9.632 1.00 1.00 C ATOM 1273 O SER A 83 -3.645 -9.806 -8.865 1.00 1.00 O ATOM 1274 CB SER A 83 -2.312 -9.509 -11.361 1.00 1.00 C ATOM 1275 OG SER A 83 -1.035 -10.097 -11.149 1.00 1.00 O ATOM 0 H SER A 83 -4.891 -9.156 -11.580 1.00 1.00 H new ATOM 0 HA SER A 83 -3.086 -11.507 -11.580 1.00 1.00 H new ATOM 0 HB2 SER A 83 -2.381 -9.116 -12.375 1.00 1.00 H new ATOM 0 HB3 SER A 83 -2.456 -8.668 -10.683 1.00 1.00 H new ATOM 0 HG SER A 83 -0.407 -9.767 -11.825 1.00 1.00 H new ATOM 1281 N ASN A 84 -3.714 -12.031 -9.227 1.00 1.00 N ATOM 1282 CA ASN A 84 -3.917 -12.374 -7.822 1.00 1.00 C ATOM 1283 C ASN A 84 -3.027 -13.548 -7.439 1.00 1.00 C ATOM 1284 O ASN A 84 -2.130 -13.928 -8.192 1.00 1.00 O ATOM 1285 CB ASN A 84 -5.384 -12.741 -7.588 1.00 1.00 C ATOM 1286 CG ASN A 84 -6.281 -11.534 -7.853 1.00 1.00 C ATOM 1287 OD1 ASN A 84 -7.481 -11.690 -8.072 1.00 1.00 O ATOM 1288 ND2 ASN A 84 -5.767 -10.333 -7.854 1.00 1.00 N ATOM 0 H ASN A 84 -3.671 -12.835 -9.854 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.657 -11.514 -7.205 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -5.669 -13.565 -8.242 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -5.521 -13.086 -6.563 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -6.361 -9.524 -8.036 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -4.772 -10.204 -7.672 1.00 1.00 H new ATOM 1295 N SER A 85 -3.269 -14.112 -6.262 1.00 1.00 N ATOM 1296 CA SER A 85 -2.468 -15.234 -5.791 1.00 1.00 C ATOM 1297 C SER A 85 -1.016 -14.800 -5.635 1.00 1.00 C ATOM 1298 O SER A 85 -0.201 -15.006 -6.533 1.00 1.00 O ATOM 1299 CB SER A 85 -2.562 -16.394 -6.782 1.00 1.00 C ATOM 1300 OG SER A 85 -3.903 -16.509 -7.241 1.00 1.00 O ATOM 0 H SER A 85 -4.006 -13.815 -5.622 1.00 1.00 H new ATOM 0 HA SER A 85 -2.848 -15.563 -4.824 1.00 1.00 H new ATOM 0 HB2 SER A 85 -1.890 -16.225 -7.623 1.00 1.00 H new ATOM 0 HB3 SER A 85 -2.247 -17.322 -6.305 1.00 1.00 H new ATOM 0 HG SER A 85 -3.968 -17.251 -7.878 1.00 1.00 H new ATOM 1306 N GLY A 86 -0.708 -14.175 -4.504 1.00 1.00 N ATOM 1307 CA GLY A 86 0.646 -13.690 -4.262 1.00 1.00 C ATOM 1308 C GLY A 86 0.978 -12.591 -5.261 1.00 1.00 C ATOM 1309 O GLY A 86 1.665 -12.825 -6.258 1.00 1.00 O ATOM 0 H GLY A 86 -1.369 -13.994 -3.748 1.00 1.00 H new ATOM 0 HA2 GLY A 86 0.731 -13.309 -3.244 1.00 1.00 H new ATOM 0 HA3 GLY A 86 1.359 -14.509 -4.356 1.00 1.00 H new ATOM 1313 N CYS A 87 0.446 -11.397 -5.006 1.00 1.00 N ATOM 1314 CA CYS A 87 0.644 -10.259 -5.910 1.00 1.00 C ATOM 1315 C CYS A 87 1.845 -9.404 -5.492 1.00 1.00 C ATOM 1316 O CYS A 87 1.966 -9.012 -4.332 1.00 1.00 O ATOM 1317 CB CYS A 87 -0.630 -9.370 -5.922 1.00 1.00 C ATOM 1318 SG CYS A 87 -2.032 -10.275 -5.212 1.00 1.00 S ATOM 0 H CYS A 87 -0.123 -11.190 -4.185 1.00 1.00 H new ATOM 0 HA CYS A 87 0.837 -10.659 -6.905 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -0.451 -8.458 -5.353 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -0.862 -9.068 -6.943 1.00 1.00 H new ATOM 1323 N LYS A 88 2.697 -9.072 -6.464 1.00 1.00 N ATOM 1324 CA LYS A 88 3.852 -8.210 -6.210 1.00 1.00 C ATOM 1325 C LYS A 88 3.607 -6.869 -6.896 1.00 1.00 C ATOM 1326 O LYS A 88 3.275 -6.834 -8.081 1.00 1.00 O ATOM 1327 CB LYS A 88 5.134 -8.818 -6.784 1.00 1.00 C ATOM 1328 CG LYS A 88 5.462 -10.144 -6.088 1.00 1.00 C ATOM 1329 CD LYS A 88 6.707 -10.755 -6.738 1.00 1.00 C ATOM 1330 CE LYS A 88 7.060 -12.080 -6.056 1.00 1.00 C ATOM 1331 NZ LYS A 88 8.268 -12.671 -6.702 1.00 1.00 N ATOM 0 H LYS A 88 2.609 -9.386 -7.431 1.00 1.00 H new ATOM 0 HA LYS A 88 3.973 -8.094 -5.133 1.00 1.00 H new ATOM 0 HB2 LYS A 88 5.017 -8.983 -7.855 1.00 1.00 H new ATOM 0 HB3 LYS A 88 5.962 -8.120 -6.658 1.00 1.00 H new ATOM 0 HG2 LYS A 88 5.636 -9.978 -5.025 1.00 1.00 H new ATOM 0 HG3 LYS A 88 4.619 -10.831 -6.170 1.00 1.00 H new ATOM 0 HD2 LYS A 88 6.528 -10.920 -7.800 1.00 1.00 H new ATOM 0 HD3 LYS A 88 7.545 -10.062 -6.660 1.00 1.00 H new ATOM 0 HE2 LYS A 88 7.247 -11.916 -4.995 1.00 1.00 H new ATOM 0 HE3 LYS A 88 6.221 -12.772 -6.129 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 8.505 -13.570 -6.237 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 8.074 -12.843 -7.709 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 9.068 -12.012 -6.611 1.00 1.00 H new ATOM 1345 N ILE A 89 3.774 -5.770 -6.160 1.00 1.00 N ATOM 1346 CA ILE A 89 3.567 -4.432 -6.730 1.00 1.00 C ATOM 1347 C ILE A 89 4.796 -3.566 -6.484 1.00 1.00 C ATOM 1348 O ILE A 89 5.595 -3.850 -5.592 1.00 1.00 O ATOM 1349 CB ILE A 89 2.326 -3.759 -6.109 1.00 1.00 C ATOM 1350 CG1 ILE A 89 2.527 -3.559 -4.596 1.00 1.00 C ATOM 1351 CG2 ILE A 89 1.097 -4.639 -6.330 1.00 1.00 C ATOM 1352 CD1 ILE A 89 1.372 -2.747 -3.988 1.00 1.00 C ATOM 0 H ILE A 89 4.049 -5.775 -5.178 1.00 1.00 H new ATOM 0 HA ILE A 89 3.406 -4.538 -7.803 1.00 1.00 H new ATOM 0 HB ILE A 89 2.182 -2.790 -6.587 1.00 1.00 H new ATOM 0 HG12 ILE A 89 2.593 -4.529 -4.103 1.00 1.00 H new ATOM 0 HG13 ILE A 89 3.471 -3.045 -4.416 1.00 1.00 H new ATOM 0 HG21 ILE A 89 0.223 -4.160 -5.890 1.00 1.00 H new ATOM 0 HG22 ILE A 89 0.936 -4.777 -7.399 1.00 1.00 H new ATOM 0 HG23 ILE A 89 1.255 -5.609 -5.859 1.00 1.00 H new ATOM 0 HD11 ILE A 89 1.540 -2.621 -2.918 1.00 1.00 H new ATOM 0 HD12 ILE A 89 1.324 -1.768 -4.466 1.00 1.00 H new ATOM 0 HD13 ILE A 89 0.432 -3.275 -4.148 1.00 1.00 H new ATOM 1364 N ARG A 90 4.936 -2.501 -7.266 1.00 1.00 N ATOM 1365 CA ARG A 90 6.069 -1.586 -7.112 1.00 1.00 C ATOM 1366 C ARG A 90 5.569 -0.150 -7.052 1.00 1.00 C ATOM 1367 O ARG A 90 4.722 0.263 -7.846 1.00 1.00 O ATOM 1368 CB ARG A 90 7.048 -1.755 -8.278 1.00 1.00 C ATOM 1369 CG ARG A 90 7.515 -3.230 -8.381 1.00 1.00 C ATOM 1370 CD ARG A 90 6.685 -3.978 -9.430 1.00 1.00 C ATOM 1371 NE ARG A 90 7.019 -3.489 -10.759 1.00 1.00 N ATOM 1372 CZ ARG A 90 8.083 -3.945 -11.412 1.00 1.00 C ATOM 1373 NH1 ARG A 90 8.818 -4.888 -10.887 1.00 1.00 N ATOM 1374 NH2 ARG A 90 8.388 -3.454 -12.579 1.00 1.00 N ATOM 0 H ARG A 90 4.285 -2.248 -8.010 1.00 1.00 H new ATOM 0 HA ARG A 90 6.589 -1.820 -6.183 1.00 1.00 H new ATOM 0 HB2 ARG A 90 6.570 -1.452 -9.210 1.00 1.00 H new ATOM 0 HB3 ARG A 90 7.910 -1.103 -8.135 1.00 1.00 H new ATOM 0 HG2 ARG A 90 8.571 -3.267 -8.649 1.00 1.00 H new ATOM 0 HG3 ARG A 90 7.415 -3.719 -7.412 1.00 1.00 H new ATOM 0 HD2 ARG A 90 6.880 -5.049 -9.366 1.00 1.00 H new ATOM 0 HD3 ARG A 90 5.622 -3.835 -9.236 1.00 1.00 H new ATOM 0 HE ARG A 90 6.426 -2.784 -11.197 1.00 1.00 H new ATOM 0 HH11 ARG A 90 8.576 -5.275 -9.975 1.00 1.00 H new ATOM 0 HH12 ARG A 90 9.634 -5.237 -11.389 1.00 1.00 H new ATOM 0 HH21 ARG A 90 7.811 -2.721 -12.990 1.00 1.00 H new ATOM 0 HH22 ARG A 90 9.204 -3.803 -13.082 1.00 1.00 H new ATOM 1388 N VAL A 91 6.092 0.605 -6.092 1.00 1.00 N ATOM 1389 CA VAL A 91 5.694 1.998 -5.904 1.00 1.00 C ATOM 1390 C VAL A 91 6.865 2.928 -6.189 1.00 1.00 C ATOM 1391 O VAL A 91 7.983 2.697 -5.735 1.00 1.00 O ATOM 1392 CB VAL A 91 5.223 2.206 -4.463 1.00 1.00 C ATOM 1393 CG1 VAL A 91 4.982 3.695 -4.201 1.00 1.00 C ATOM 1394 CG2 VAL A 91 3.927 1.423 -4.233 1.00 1.00 C ATOM 0 H VAL A 91 6.794 0.276 -5.430 1.00 1.00 H new ATOM 0 HA VAL A 91 4.883 2.226 -6.596 1.00 1.00 H new ATOM 0 HB VAL A 91 5.991 1.847 -3.778 1.00 1.00 H new ATOM 0 HG11 VAL A 91 4.647 3.834 -3.173 1.00 1.00 H new ATOM 0 HG12 VAL A 91 5.909 4.247 -4.358 1.00 1.00 H new ATOM 0 HG13 VAL A 91 4.218 4.066 -4.885 1.00 1.00 H new ATOM 0 HG21 VAL A 91 3.590 1.570 -3.207 1.00 1.00 H new ATOM 0 HG22 VAL A 91 3.160 1.779 -4.921 1.00 1.00 H new ATOM 0 HG23 VAL A 91 4.107 0.362 -4.407 1.00 1.00 H new ATOM 1404 N GLN A 92 6.589 3.985 -6.941 1.00 1.00 N ATOM 1405 CA GLN A 92 7.614 4.966 -7.289 1.00 1.00 C ATOM 1406 C GLN A 92 6.998 6.356 -7.409 1.00 1.00 C ATOM 1407 O GLN A 92 5.806 6.494 -7.682 1.00 1.00 O ATOM 1408 CB GLN A 92 8.273 4.580 -8.614 1.00 1.00 C ATOM 1409 CG GLN A 92 7.204 4.472 -9.703 1.00 1.00 C ATOM 1410 CD GLN A 92 7.842 4.042 -11.019 1.00 1.00 C ATOM 1411 OE1 GLN A 92 8.936 4.494 -11.356 1.00 1.00 O ATOM 1412 NE2 GLN A 92 7.221 3.185 -11.783 1.00 1.00 N ATOM 0 H GLN A 92 5.665 4.187 -7.323 1.00 1.00 H new ATOM 0 HA GLN A 92 8.367 4.980 -6.501 1.00 1.00 H new ATOM 0 HB2 GLN A 92 9.017 5.326 -8.893 1.00 1.00 H new ATOM 0 HB3 GLN A 92 8.797 3.630 -8.509 1.00 1.00 H new ATOM 0 HG2 GLN A 92 6.442 3.751 -9.406 1.00 1.00 H new ATOM 0 HG3 GLN A 92 6.703 5.432 -9.829 1.00 1.00 H new ATOM 0 HE21 GLN A 92 6.314 2.813 -11.500 1.00 1.00 H new ATOM 0 HE22 GLN A 92 7.642 2.887 -12.663 1.00 1.00 H new ATOM 1421 N GLY A 93 7.819 7.379 -7.208 1.00 1.00 N ATOM 1422 CA GLY A 93 7.345 8.754 -7.302 1.00 1.00 C ATOM 1423 C GLY A 93 8.518 9.719 -7.421 1.00 1.00 C ATOM 1424 O GLY A 93 9.666 9.343 -7.209 1.00 1.00 O ATOM 0 H GLY A 93 8.809 7.284 -6.981 1.00 1.00 H new ATOM 0 HA2 GLY A 93 6.691 8.860 -8.167 1.00 1.00 H new ATOM 0 HA3 GLY A 93 6.752 9.001 -6.421 1.00 1.00 H new ATOM 1483 N ARG A 97 11.536 7.151 -3.667 1.00 1.00 N ATOM 1484 CA ARG A 97 12.306 6.206 -4.483 1.00 1.00 C ATOM 1485 C ARG A 97 11.509 4.932 -4.736 1.00 1.00 C ATOM 1486 O ARG A 97 10.536 4.647 -4.037 1.00 1.00 O ATOM 1487 CB ARG A 97 13.624 5.848 -3.783 1.00 1.00 C ATOM 1488 CG ARG A 97 14.471 7.121 -3.532 1.00 1.00 C ATOM 1489 CD ARG A 97 14.212 7.658 -2.120 1.00 1.00 C ATOM 1490 NE ARG A 97 14.655 6.681 -1.135 1.00 1.00 N ATOM 1491 CZ ARG A 97 14.319 6.789 0.145 1.00 1.00 C ATOM 1492 NH1 ARG A 97 13.649 7.828 0.560 1.00 1.00 N ATOM 1493 NH2 ARG A 97 14.670 5.858 0.990 1.00 1.00 N ATOM 0 HA ARG A 97 12.519 6.686 -5.438 1.00 1.00 H new ATOM 0 HB2 ARG A 97 13.416 5.351 -2.836 1.00 1.00 H new ATOM 0 HB3 ARG A 97 14.188 5.144 -4.395 1.00 1.00 H new ATOM 0 HG2 ARG A 97 15.530 6.892 -3.654 1.00 1.00 H new ATOM 0 HG3 ARG A 97 14.223 7.883 -4.270 1.00 1.00 H new ATOM 0 HD2 ARG A 97 14.741 8.600 -1.976 1.00 1.00 H new ATOM 0 HD3 ARG A 97 13.150 7.866 -1.988 1.00 1.00 H new ATOM 0 HE ARG A 97 15.235 5.898 -1.435 1.00 1.00 H new ATOM 0 HH11 ARG A 97 13.382 8.559 -0.099 1.00 1.00 H new ATOM 0 HH12 ARG A 97 13.392 7.909 1.544 1.00 1.00 H new ATOM 0 HH21 ARG A 97 15.201 5.050 0.667 1.00 1.00 H new ATOM 0 HH22 ARG A 97 14.413 5.939 1.974 1.00 1.00 H new ATOM 1507 N GLU A 98 11.925 4.170 -5.740 1.00 1.00 N ATOM 1508 CA GLU A 98 11.236 2.931 -6.073 1.00 1.00 C ATOM 1509 C GLU A 98 11.252 1.974 -4.882 1.00 1.00 C ATOM 1510 O GLU A 98 12.268 1.827 -4.201 1.00 1.00 O ATOM 1511 CB GLU A 98 11.900 2.267 -7.281 1.00 1.00 C ATOM 1512 CG GLU A 98 11.096 1.030 -7.694 1.00 1.00 C ATOM 1513 CD GLU A 98 11.718 0.393 -8.932 1.00 1.00 C ATOM 1514 OE1 GLU A 98 12.850 0.726 -9.241 1.00 1.00 O ATOM 1515 OE2 GLU A 98 11.056 -0.424 -9.551 1.00 1.00 O ATOM 0 H GLU A 98 12.727 4.385 -6.332 1.00 1.00 H new ATOM 0 HA GLU A 98 10.201 3.167 -6.320 1.00 1.00 H new ATOM 0 HB2 GLU A 98 11.955 2.971 -8.111 1.00 1.00 H new ATOM 0 HB3 GLU A 98 12.923 1.983 -7.036 1.00 1.00 H new ATOM 0 HG2 GLU A 98 11.075 0.310 -6.876 1.00 1.00 H new ATOM 0 HG3 GLU A 98 10.063 1.310 -7.899 1.00 1.00 H new ATOM 1522 N ARG A 99 10.112 1.333 -4.645 1.00 1.00 N ATOM 1523 CA ARG A 99 9.958 0.384 -3.541 1.00 1.00 C ATOM 1524 C ARG A 99 9.161 -0.825 -4.029 1.00 1.00 C ATOM 1525 O ARG A 99 8.390 -0.709 -4.982 1.00 1.00 O ATOM 1526 CB ARG A 99 9.213 1.053 -2.385 1.00 1.00 C ATOM 1527 CG ARG A 99 10.088 2.147 -1.764 1.00 1.00 C ATOM 1528 CD ARG A 99 9.299 2.862 -0.664 1.00 1.00 C ATOM 1529 NE ARG A 99 10.116 3.903 -0.050 1.00 1.00 N ATOM 1530 CZ ARG A 99 9.598 4.756 0.827 1.00 1.00 C ATOM 1531 NH1 ARG A 99 8.337 4.674 1.151 1.00 1.00 N ATOM 1532 NH2 ARG A 99 10.350 5.679 1.362 1.00 1.00 N ATOM 0 H ARG A 99 9.270 1.454 -5.209 1.00 1.00 H new ATOM 0 HA ARG A 99 10.941 0.064 -3.195 1.00 1.00 H new ATOM 0 HB2 ARG A 99 8.278 1.483 -2.744 1.00 1.00 H new ATOM 0 HB3 ARG A 99 8.953 0.311 -1.630 1.00 1.00 H new ATOM 0 HG2 ARG A 99 10.997 1.711 -1.350 1.00 1.00 H new ATOM 0 HG3 ARG A 99 10.396 2.860 -2.529 1.00 1.00 H new ATOM 0 HD2 ARG A 99 8.394 3.301 -1.083 1.00 1.00 H new ATOM 0 HD3 ARG A 99 8.984 2.144 0.093 1.00 1.00 H new ATOM 0 HE ARG A 99 11.102 3.977 -0.298 1.00 1.00 H new ATOM 0 HH11 ARG A 99 7.748 3.955 0.731 1.00 1.00 H new ATOM 0 HH12 ARG A 99 7.940 5.329 1.824 1.00 1.00 H new ATOM 0 HH21 ARG A 99 11.335 5.745 1.107 1.00 1.00 H new ATOM 0 HH22 ARG A 99 9.952 6.334 2.035 1.00 1.00 H new ATOM 1546 N ARG A 100 9.348 -1.984 -3.390 1.00 1.00 N ATOM 1547 CA ARG A 100 8.631 -3.203 -3.796 1.00 1.00 C ATOM 1548 C ARG A 100 7.863 -3.814 -2.625 1.00 1.00 C ATOM 1549 O ARG A 100 8.246 -3.665 -1.464 1.00 1.00 O ATOM 1550 CB ARG A 100 9.620 -4.232 -4.358 1.00 1.00 C ATOM 1551 CG ARG A 100 10.250 -3.677 -5.642 1.00 1.00 C ATOM 1552 CD ARG A 100 11.297 -4.658 -6.180 1.00 1.00 C ATOM 1553 NE ARG A 100 10.665 -5.878 -6.671 1.00 1.00 N ATOM 1554 CZ ARG A 100 11.396 -6.878 -7.163 1.00 1.00 C ATOM 1555 NH1 ARG A 100 12.652 -6.686 -7.468 1.00 1.00 N ATOM 1556 NH2 ARG A 100 10.842 -8.033 -7.401 1.00 1.00 N ATOM 0 H ARG A 100 9.981 -2.107 -2.599 1.00 1.00 H new ATOM 0 HA ARG A 100 7.913 -2.926 -4.568 1.00 1.00 H new ATOM 0 HB2 ARG A 100 10.395 -4.449 -3.623 1.00 1.00 H new ATOM 0 HB3 ARG A 100 9.107 -5.171 -4.567 1.00 1.00 H new ATOM 0 HG2 ARG A 100 9.478 -3.509 -6.393 1.00 1.00 H new ATOM 0 HG3 ARG A 100 10.714 -2.711 -5.441 1.00 1.00 H new ATOM 0 HD2 ARG A 100 11.862 -4.188 -6.985 1.00 1.00 H new ATOM 0 HD3 ARG A 100 12.009 -4.904 -5.392 1.00 1.00 H new ATOM 0 HE ARG A 100 9.649 -5.967 -6.637 1.00 1.00 H new ATOM 0 HH11 ARG A 100 13.076 -5.769 -7.330 1.00 1.00 H new ATOM 0 HH12 ARG A 100 13.209 -7.454 -7.844 1.00 1.00 H new ATOM 0 HH21 ARG A 100 9.849 -8.171 -7.211 1.00 1.00 H new ATOM 0 HH22 ARG A 100 11.401 -8.799 -7.778 1.00 1.00 H new ATOM 1570 N PHE A 101 6.763 -4.494 -2.953 1.00 1.00 N ATOM 1571 CA PHE A 101 5.914 -5.129 -1.941 1.00 1.00 C ATOM 1572 C PHE A 101 5.356 -6.450 -2.466 1.00 1.00 C ATOM 1573 O PHE A 101 5.259 -6.655 -3.675 1.00 1.00 O ATOM 1574 CB PHE A 101 4.745 -4.207 -1.588 1.00 1.00 C ATOM 1575 CG PHE A 101 5.261 -2.897 -1.039 1.00 1.00 C ATOM 1576 CD1 PHE A 101 5.745 -2.833 0.270 1.00 1.00 C ATOM 1577 CD2 PHE A 101 5.248 -1.746 -1.839 1.00 1.00 C ATOM 1578 CE1 PHE A 101 6.218 -1.619 0.784 1.00 1.00 C ATOM 1579 CE2 PHE A 101 5.722 -0.533 -1.326 1.00 1.00 C ATOM 1580 CZ PHE A 101 6.207 -0.470 -0.014 1.00 1.00 C ATOM 0 H PHE A 101 6.438 -4.620 -3.912 1.00 1.00 H new ATOM 0 HA PHE A 101 6.521 -5.317 -1.055 1.00 1.00 H new ATOM 0 HB2 PHE A 101 4.136 -4.024 -2.474 1.00 1.00 H new ATOM 0 HB3 PHE A 101 4.101 -4.689 -0.853 1.00 1.00 H new ATOM 0 HD1 PHE A 101 5.754 -3.720 0.886 1.00 1.00 H new ATOM 0 HD2 PHE A 101 4.873 -1.795 -2.850 1.00 1.00 H new ATOM 0 HE1 PHE A 101 6.591 -1.570 1.796 1.00 1.00 H new ATOM 0 HE2 PHE A 101 5.714 0.354 -1.942 1.00 1.00 H new ATOM 0 HZ PHE A 101 6.573 0.466 0.382 1.00 1.00 H new ATOM 1590 N GLU A 102 4.984 -7.342 -1.548 1.00 1.00 N ATOM 1591 CA GLU A 102 4.428 -8.642 -1.930 1.00 1.00 C ATOM 1592 C GLU A 102 3.420 -9.133 -0.894 1.00 1.00 C ATOM 1593 O GLU A 102 3.768 -9.357 0.260 1.00 1.00 O ATOM 1594 CB GLU A 102 5.560 -9.666 -2.074 1.00 1.00 C ATOM 1595 CG GLU A 102 4.989 -11.042 -2.448 1.00 1.00 C ATOM 1596 CD GLU A 102 6.130 -12.027 -2.674 1.00 1.00 C ATOM 1597 OE1 GLU A 102 7.252 -11.694 -2.327 1.00 1.00 O ATOM 1598 OE2 GLU A 102 5.868 -13.100 -3.193 1.00 1.00 O ATOM 0 H GLU A 102 5.056 -7.191 -0.542 1.00 1.00 H new ATOM 0 HA GLU A 102 3.912 -8.527 -2.883 1.00 1.00 H new ATOM 0 HB2 GLU A 102 6.263 -9.336 -2.839 1.00 1.00 H new ATOM 0 HB3 GLU A 102 6.116 -9.737 -1.139 1.00 1.00 H new ATOM 0 HG2 GLU A 102 4.336 -11.403 -1.654 1.00 1.00 H new ATOM 0 HG3 GLU A 102 4.381 -10.962 -3.349 1.00 1.00 H new ATOM 1605 N ILE A 103 2.167 -9.316 -1.322 1.00 1.00 N ATOM 1606 CA ILE A 103 1.114 -9.806 -0.427 1.00 1.00 C ATOM 1607 C ILE A 103 0.874 -11.300 -0.694 1.00 1.00 C ATOM 1608 O ILE A 103 0.204 -11.644 -1.666 1.00 1.00 O ATOM 1609 CB ILE A 103 -0.189 -9.028 -0.673 1.00 1.00 C ATOM 1610 CG1 ILE A 103 0.062 -7.505 -0.511 1.00 1.00 C ATOM 1611 CG2 ILE A 103 -1.239 -9.488 0.344 1.00 1.00 C ATOM 1612 CD1 ILE A 103 0.401 -6.875 -1.868 1.00 1.00 C ATOM 0 H ILE A 103 1.858 -9.133 -2.277 1.00 1.00 H new ATOM 0 HA ILE A 103 1.427 -9.661 0.607 1.00 1.00 H new ATOM 0 HB ILE A 103 -0.543 -9.219 -1.686 1.00 1.00 H new ATOM 0 HG12 ILE A 103 -0.822 -7.026 -0.091 1.00 1.00 H new ATOM 0 HG13 ILE A 103 0.879 -7.337 0.190 1.00 1.00 H new ATOM 0 HG21 ILE A 103 -2.168 -8.943 0.179 1.00 1.00 H new ATOM 0 HG22 ILE A 103 -1.419 -10.556 0.223 1.00 1.00 H new ATOM 0 HG23 ILE A 103 -0.878 -9.293 1.354 1.00 1.00 H new ATOM 0 HD11 ILE A 103 0.575 -5.807 -1.740 1.00 1.00 H new ATOM 0 HD12 ILE A 103 1.299 -7.343 -2.272 1.00 1.00 H new ATOM 0 HD13 ILE A 103 -0.429 -7.027 -2.558 1.00 1.00 H new ATOM 1624 N PRO A 104 1.417 -12.201 0.108 1.00 1.00 N ATOM 1625 CA PRO A 104 1.244 -13.665 -0.131 1.00 1.00 C ATOM 1626 C PRO A 104 -0.172 -14.154 0.174 1.00 1.00 C ATOM 1627 O PRO A 104 -0.537 -15.275 -0.178 1.00 1.00 O ATOM 1628 CB PRO A 104 2.283 -14.317 0.798 1.00 1.00 C ATOM 1629 CG PRO A 104 2.492 -13.336 1.907 1.00 1.00 C ATOM 1630 CD PRO A 104 2.237 -11.942 1.317 1.00 1.00 C ATOM 0 HA PRO A 104 1.391 -13.923 -1.180 1.00 1.00 H new ATOM 0 HB2 PRO A 104 1.924 -15.272 1.181 1.00 1.00 H new ATOM 0 HB3 PRO A 104 3.215 -14.516 0.268 1.00 1.00 H new ATOM 0 HG2 PRO A 104 1.811 -13.536 2.734 1.00 1.00 H new ATOM 0 HG3 PRO A 104 3.505 -13.409 2.303 1.00 1.00 H new ATOM 0 HD2 PRO A 104 1.711 -11.301 2.024 1.00 1.00 H new ATOM 0 HD3 PRO A 104 3.171 -11.440 1.064 1.00 1.00 H new ATOM 1638 N ASP A 105 -0.967 -13.309 0.823 1.00 1.00 N ATOM 1639 CA ASP A 105 -2.340 -13.671 1.163 1.00 1.00 C ATOM 1640 C ASP A 105 -3.276 -13.229 0.045 1.00 1.00 C ATOM 1641 O ASP A 105 -3.538 -12.043 -0.122 1.00 1.00 O ATOM 1642 CB ASP A 105 -2.734 -13.004 2.482 1.00 1.00 C ATOM 1643 CG ASP A 105 -2.032 -13.698 3.646 1.00 1.00 C ATOM 1644 OD1 ASP A 105 -1.560 -14.807 3.455 1.00 1.00 O ATOM 1645 OD2 ASP A 105 -1.970 -13.107 4.712 1.00 1.00 O ATOM 0 H ASP A 105 -0.687 -12.375 1.123 1.00 1.00 H new ATOM 0 HA ASP A 105 -2.416 -14.752 1.279 1.00 1.00 H new ATOM 0 HB2 ASP A 105 -2.464 -11.948 2.460 1.00 1.00 H new ATOM 0 HB3 ASP A 105 -3.815 -13.054 2.616 1.00 1.00 H new ATOM 1650 N GLU A 106 -3.750 -14.199 -0.726 1.00 1.00 N ATOM 1651 CA GLU A 106 -4.630 -13.923 -1.856 1.00 1.00 C ATOM 1652 C GLU A 106 -5.918 -13.229 -1.424 1.00 1.00 C ATOM 1653 O GLU A 106 -6.269 -12.185 -1.966 1.00 1.00 O ATOM 1654 CB GLU A 106 -4.967 -15.237 -2.567 1.00 1.00 C ATOM 1655 CG GLU A 106 -5.791 -14.955 -3.824 1.00 1.00 C ATOM 1656 CD GLU A 106 -6.047 -16.256 -4.577 1.00 1.00 C ATOM 1657 OE1 GLU A 106 -5.376 -17.231 -4.279 1.00 1.00 O ATOM 1658 OE2 GLU A 106 -6.909 -16.261 -5.439 1.00 1.00 O ATOM 0 H GLU A 106 -3.539 -15.188 -0.589 1.00 1.00 H new ATOM 0 HA GLU A 106 -4.105 -13.248 -2.532 1.00 1.00 H new ATOM 0 HB2 GLU A 106 -4.049 -15.761 -2.834 1.00 1.00 H new ATOM 0 HB3 GLU A 106 -5.524 -15.891 -1.896 1.00 1.00 H new ATOM 0 HG2 GLU A 106 -6.738 -14.489 -3.552 1.00 1.00 H new ATOM 0 HG3 GLU A 106 -5.262 -14.251 -4.466 1.00 1.00 H new ATOM 1665 N GLU A 107 -6.624 -13.804 -0.459 1.00 1.00 N ATOM 1666 CA GLU A 107 -7.876 -13.209 -0.002 1.00 1.00 C ATOM 1667 C GLU A 107 -7.667 -11.742 0.359 1.00 1.00 C ATOM 1668 O GLU A 107 -8.473 -10.887 -0.007 1.00 1.00 O ATOM 1669 CB GLU A 107 -8.431 -13.984 1.199 1.00 1.00 C ATOM 1670 CG GLU A 107 -7.388 -14.053 2.316 1.00 1.00 C ATOM 1671 CD GLU A 107 -7.890 -14.954 3.439 1.00 1.00 C ATOM 1672 OE1 GLU A 107 -8.511 -15.959 3.131 1.00 1.00 O ATOM 1673 OE2 GLU A 107 -7.649 -14.626 4.588 1.00 1.00 O ATOM 0 H GLU A 107 -6.359 -14.667 0.016 1.00 1.00 H new ATOM 0 HA GLU A 107 -8.602 -13.265 -0.813 1.00 1.00 H new ATOM 0 HB2 GLU A 107 -9.335 -13.499 1.566 1.00 1.00 H new ATOM 0 HB3 GLU A 107 -8.712 -14.991 0.892 1.00 1.00 H new ATOM 0 HG2 GLU A 107 -6.446 -14.437 1.923 1.00 1.00 H new ATOM 0 HG3 GLU A 107 -7.189 -13.053 2.702 1.00 1.00 H new ATOM 1680 N HIS A 108 -6.581 -11.453 1.060 1.00 1.00 N ATOM 1681 CA HIS A 108 -6.276 -10.080 1.440 1.00 1.00 C ATOM 1682 C HIS A 108 -5.890 -9.257 0.213 1.00 1.00 C ATOM 1683 O HIS A 108 -6.258 -8.087 0.097 1.00 1.00 O ATOM 1684 CB HIS A 108 -5.121 -10.064 2.445 1.00 1.00 C ATOM 1685 CG HIS A 108 -5.588 -10.559 3.789 1.00 1.00 C ATOM 1686 ND1 HIS A 108 -4.722 -10.689 4.866 1.00 1.00 N ATOM 1687 CD2 HIS A 108 -6.819 -10.959 4.253 1.00 1.00 C ATOM 1688 CE1 HIS A 108 -5.435 -11.149 5.909 1.00 1.00 C ATOM 1689 NE2 HIS A 108 -6.719 -11.329 5.590 1.00 1.00 N ATOM 0 H HIS A 108 -5.900 -12.144 1.376 1.00 1.00 H new ATOM 0 HA HIS A 108 -7.165 -9.642 1.894 1.00 1.00 H new ATOM 0 HB2 HIS A 108 -4.306 -10.691 2.082 1.00 1.00 H new ATOM 0 HB3 HIS A 108 -4.727 -9.052 2.540 1.00 1.00 H new ATOM 0 HD2 HIS A 108 -7.726 -10.982 3.668 1.00 1.00 H new ATOM 0 HE1 HIS A 108 -5.020 -11.349 6.886 1.00 1.00 H new ATOM 0 HE2 HIS A 108 -7.466 -11.666 6.197 1.00 1.00 H new ATOM 1697 N CYS A 109 -5.141 -9.874 -0.698 1.00 1.00 N ATOM 1698 CA CYS A 109 -4.695 -9.189 -1.904 1.00 1.00 C ATOM 1699 C CYS A 109 -5.881 -8.673 -2.710 1.00 1.00 C ATOM 1700 O CYS A 109 -5.803 -7.620 -3.336 1.00 1.00 O ATOM 1701 CB CYS A 109 -3.831 -10.141 -2.763 1.00 1.00 C ATOM 1702 SG CYS A 109 -2.479 -9.219 -3.545 1.00 1.00 S ATOM 0 H CYS A 109 -4.832 -10.843 -0.623 1.00 1.00 H new ATOM 0 HA CYS A 109 -4.091 -8.331 -1.609 1.00 1.00 H new ATOM 0 HB2 CYS A 109 -3.425 -10.938 -2.140 1.00 1.00 H new ATOM 0 HB3 CYS A 109 -4.448 -10.615 -3.526 1.00 1.00 H new ATOM 1707 N LEU A 110 -6.971 -9.424 -2.705 1.00 1.00 N ATOM 1708 CA LEU A 110 -8.145 -9.018 -3.460 1.00 1.00 C ATOM 1709 C LEU A 110 -8.704 -7.701 -2.940 1.00 1.00 C ATOM 1710 O LEU A 110 -9.038 -6.813 -3.723 1.00 1.00 O ATOM 1711 CB LEU A 110 -9.233 -10.089 -3.354 1.00 1.00 C ATOM 1712 CG LEU A 110 -8.767 -11.393 -4.013 1.00 1.00 C ATOM 1713 CD1 LEU A 110 -9.816 -12.483 -3.761 1.00 1.00 C ATOM 1714 CD2 LEU A 110 -8.587 -11.188 -5.529 1.00 1.00 C ATOM 0 H LEU A 110 -7.067 -10.303 -2.196 1.00 1.00 H new ATOM 0 HA LEU A 110 -7.843 -8.891 -4.499 1.00 1.00 H new ATOM 0 HB2 LEU A 110 -9.473 -10.269 -2.306 1.00 1.00 H new ATOM 0 HB3 LEU A 110 -10.146 -9.737 -3.835 1.00 1.00 H new ATOM 0 HG LEU A 110 -7.811 -11.692 -3.585 1.00 1.00 H new ATOM 0 HD11 LEU A 110 -9.492 -13.414 -4.226 1.00 1.00 H new ATOM 0 HD12 LEU A 110 -9.932 -12.635 -2.688 1.00 1.00 H new ATOM 0 HD13 LEU A 110 -10.770 -12.176 -4.189 1.00 1.00 H new ATOM 0 HD21 LEU A 110 -8.256 -12.121 -5.986 1.00 1.00 H new ATOM 0 HD22 LEU A 110 -9.536 -10.885 -5.970 1.00 1.00 H new ATOM 0 HD23 LEU A 110 -7.841 -10.413 -5.705 1.00 1.00 H new ATOM 1726 N LYS A 111 -8.813 -7.575 -1.625 1.00 1.00 N ATOM 1727 CA LYS A 111 -9.347 -6.350 -1.048 1.00 1.00 C ATOM 1728 C LYS A 111 -8.404 -5.179 -1.297 1.00 1.00 C ATOM 1729 O LYS A 111 -8.833 -4.073 -1.633 1.00 1.00 O ATOM 1730 CB LYS A 111 -9.567 -6.509 0.456 1.00 1.00 C ATOM 1731 CG LYS A 111 -10.713 -7.489 0.704 1.00 1.00 C ATOM 1732 CD LYS A 111 -10.901 -7.693 2.209 1.00 1.00 C ATOM 1733 CE LYS A 111 -12.041 -8.684 2.438 1.00 1.00 C ATOM 1734 NZ LYS A 111 -12.215 -8.914 3.900 1.00 1.00 N ATOM 0 H LYS A 111 -8.545 -8.290 -0.949 1.00 1.00 H new ATOM 0 HA LYS A 111 -10.304 -6.149 -1.530 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -8.655 -6.872 0.931 1.00 1.00 H new ATOM 0 HB3 LYS A 111 -9.798 -5.543 0.905 1.00 1.00 H new ATOM 0 HG2 LYS A 111 -11.633 -7.107 0.261 1.00 1.00 H new ATOM 0 HG3 LYS A 111 -10.499 -8.443 0.222 1.00 1.00 H new ATOM 0 HD2 LYS A 111 -9.980 -8.068 2.656 1.00 1.00 H new ATOM 0 HD3 LYS A 111 -11.126 -6.742 2.693 1.00 1.00 H new ATOM 0 HE2 LYS A 111 -12.965 -8.297 2.008 1.00 1.00 H new ATOM 0 HE3 LYS A 111 -11.825 -9.626 1.934 1.00 1.00 H new ATOM 0 HZ1 LYS A 111 -12.991 -9.589 4.055 1.00 1.00 H new ATOM 0 HZ2 LYS A 111 -11.335 -9.301 4.298 1.00 1.00 H new ATOM 0 HZ3 LYS A 111 -12.440 -8.013 4.369 1.00 1.00 H new ATOM 1748 N PHE A 112 -7.116 -5.439 -1.109 1.00 1.00 N ATOM 1749 CA PHE A 112 -6.089 -4.425 -1.294 1.00 1.00 C ATOM 1750 C PHE A 112 -6.077 -3.913 -2.728 1.00 1.00 C ATOM 1751 O PHE A 112 -6.058 -2.706 -2.967 1.00 1.00 O ATOM 1752 CB PHE A 112 -4.729 -5.040 -0.942 1.00 1.00 C ATOM 1753 CG PHE A 112 -3.601 -4.132 -1.377 1.00 1.00 C ATOM 1754 CD1 PHE A 112 -3.375 -2.923 -0.711 1.00 1.00 C ATOM 1755 CD2 PHE A 112 -2.788 -4.499 -2.456 1.00 1.00 C ATOM 1756 CE1 PHE A 112 -2.334 -2.083 -1.121 1.00 1.00 C ATOM 1757 CE2 PHE A 112 -1.752 -3.662 -2.867 1.00 1.00 C ATOM 1758 CZ PHE A 112 -1.523 -2.452 -2.202 1.00 1.00 C ATOM 0 H PHE A 112 -6.757 -6.351 -0.826 1.00 1.00 H new ATOM 0 HA PHE A 112 -6.299 -3.577 -0.642 1.00 1.00 H new ATOM 0 HB2 PHE A 112 -4.670 -5.212 0.133 1.00 1.00 H new ATOM 0 HB3 PHE A 112 -4.628 -6.011 -1.426 1.00 1.00 H new ATOM 0 HD1 PHE A 112 -4.004 -2.638 0.119 1.00 1.00 H new ATOM 0 HD2 PHE A 112 -2.964 -5.432 -2.971 1.00 1.00 H new ATOM 0 HE1 PHE A 112 -2.156 -1.151 -0.605 1.00 1.00 H new ATOM 0 HE2 PHE A 112 -1.126 -3.947 -3.699 1.00 1.00 H new ATOM 0 HZ PHE A 112 -0.721 -1.803 -2.522 1.00 1.00 H new ATOM 1768 N LEU A 113 -6.062 -4.836 -3.680 1.00 1.00 N ATOM 1769 CA LEU A 113 -6.027 -4.455 -5.083 1.00 1.00 C ATOM 1770 C LEU A 113 -7.310 -3.748 -5.501 1.00 1.00 C ATOM 1771 O LEU A 113 -7.270 -2.760 -6.232 1.00 1.00 O ATOM 1772 CB LEU A 113 -5.796 -5.700 -5.940 1.00 1.00 C ATOM 1773 CG LEU A 113 -4.380 -6.253 -5.689 1.00 1.00 C ATOM 1774 CD1 LEU A 113 -4.215 -7.569 -6.451 1.00 1.00 C ATOM 1775 CD2 LEU A 113 -3.307 -5.241 -6.150 1.00 1.00 C ATOM 0 H LEU A 113 -6.073 -5.841 -3.509 1.00 1.00 H new ATOM 0 HA LEU A 113 -5.207 -3.753 -5.232 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -6.540 -6.460 -5.701 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -5.918 -5.454 -6.995 1.00 1.00 H new ATOM 0 HG LEU A 113 -4.250 -6.424 -4.620 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -3.215 -7.967 -6.278 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -4.956 -8.287 -6.101 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -4.356 -7.392 -7.517 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -2.315 -5.652 -5.963 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -3.424 -5.046 -7.216 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -3.424 -4.309 -5.596 1.00 1.00 H new ATOM 1787 N SER A 114 -8.445 -4.259 -5.043 1.00 1.00 N ATOM 1788 CA SER A 114 -9.730 -3.663 -5.389 1.00 1.00 C ATOM 1789 C SER A 114 -9.844 -2.238 -4.851 1.00 1.00 C ATOM 1790 O SER A 114 -10.284 -1.331 -5.558 1.00 1.00 O ATOM 1791 CB SER A 114 -10.863 -4.513 -4.812 1.00 1.00 C ATOM 1792 OG SER A 114 -10.777 -5.829 -5.343 1.00 1.00 O ATOM 0 H SER A 114 -8.504 -5.077 -4.437 1.00 1.00 H new ATOM 0 HA SER A 114 -9.804 -3.628 -6.476 1.00 1.00 H new ATOM 0 HB2 SER A 114 -10.795 -4.542 -3.725 1.00 1.00 H new ATOM 0 HB3 SER A 114 -11.828 -4.070 -5.059 1.00 1.00 H new ATOM 0 HG SER A 114 -9.953 -6.256 -5.027 1.00 1.00 H new ATOM 1798 N ALA A 115 -9.453 -2.048 -3.593 1.00 1.00 N ATOM 1799 CA ALA A 115 -9.529 -0.732 -2.966 1.00 1.00 C ATOM 1800 C ALA A 115 -8.559 0.256 -3.624 1.00 1.00 C ATOM 1801 O ALA A 115 -8.941 1.374 -3.971 1.00 1.00 O ATOM 1802 CB ALA A 115 -9.230 -0.861 -1.462 1.00 1.00 C ATOM 0 H ALA A 115 -9.083 -2.784 -2.991 1.00 1.00 H new ATOM 0 HA ALA A 115 -10.537 -0.341 -3.102 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -9.287 0.122 -0.994 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -9.961 -1.525 -1.001 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -8.230 -1.271 -1.324 1.00 1.00 H new ATOM 1808 N VAL A 116 -7.307 -0.160 -3.787 1.00 1.00 N ATOM 1809 CA VAL A 116 -6.295 0.701 -4.401 1.00 1.00 C ATOM 1810 C VAL A 116 -6.655 1.020 -5.850 1.00 1.00 C ATOM 1811 O VAL A 116 -6.564 2.168 -6.281 1.00 1.00 O ATOM 1812 CB VAL A 116 -4.926 0.014 -4.346 1.00 1.00 C ATOM 1813 CG1 VAL A 116 -3.904 0.806 -5.166 1.00 1.00 C ATOM 1814 CG2 VAL A 116 -4.453 -0.055 -2.894 1.00 1.00 C ATOM 0 H VAL A 116 -6.968 -1.080 -3.506 1.00 1.00 H new ATOM 0 HA VAL A 116 -6.257 1.636 -3.843 1.00 1.00 H new ATOM 0 HB VAL A 116 -5.017 -0.991 -4.759 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -2.936 0.308 -5.119 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -4.234 0.861 -6.203 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -3.814 1.814 -4.760 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -3.479 -0.543 -2.851 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -4.371 0.954 -2.490 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -5.171 -0.625 -2.304 1.00 1.00 H new ATOM 1824 N LEU A 117 -7.056 0.000 -6.597 1.00 1.00 N ATOM 1825 CA LEU A 117 -7.419 0.199 -7.993 1.00 1.00 C ATOM 1826 C LEU A 117 -8.587 1.160 -8.097 1.00 1.00 C ATOM 1827 O LEU A 117 -8.592 2.063 -8.930 1.00 1.00 O ATOM 1828 CB LEU A 117 -7.809 -1.145 -8.614 1.00 1.00 C ATOM 1829 CG LEU A 117 -8.339 -0.947 -10.043 1.00 1.00 C ATOM 1830 CD1 LEU A 117 -7.289 -0.230 -10.898 1.00 1.00 C ATOM 1831 CD2 LEU A 117 -8.656 -2.316 -10.655 1.00 1.00 C ATOM 0 H LEU A 117 -7.137 -0.961 -6.265 1.00 1.00 H new ATOM 0 HA LEU A 117 -6.565 0.618 -8.526 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -6.945 -1.809 -8.630 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -8.571 -1.627 -8.001 1.00 1.00 H new ATOM 0 HG LEU A 117 -9.243 -0.339 -10.013 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -7.674 -0.094 -11.909 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -7.067 0.743 -10.461 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -6.379 -0.828 -10.934 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -9.033 -2.183 -11.669 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -7.750 -2.922 -10.681 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -9.411 -2.819 -10.051 1.00 1.00 H new ATOM 1843 N ALA A 118 -9.577 0.946 -7.252 1.00 1.00 N ATOM 1844 CA ALA A 118 -10.762 1.786 -7.253 1.00 1.00 C ATOM 1845 C ALA A 118 -10.395 3.224 -6.916 1.00 1.00 C ATOM 1846 O ALA A 118 -10.957 4.163 -7.475 1.00 1.00 O ATOM 1847 CB ALA A 118 -11.778 1.257 -6.239 1.00 1.00 C ATOM 0 H ALA A 118 -9.586 0.200 -6.557 1.00 1.00 H new ATOM 0 HA ALA A 118 -11.204 1.763 -8.249 1.00 1.00 H new ATOM 0 HB1 ALA A 118 -12.664 1.892 -6.246 1.00 1.00 H new ATOM 0 HB2 ALA A 118 -12.060 0.238 -6.504 1.00 1.00 H new ATOM 0 HB3 ALA A 118 -11.335 1.263 -5.243 1.00 1.00 H new ATOM 1853 N ALA A 119 -9.451 3.391 -6.001 1.00 1.00 N ATOM 1854 CA ALA A 119 -9.022 4.725 -5.610 1.00 1.00 C ATOM 1855 C ALA A 119 -8.418 5.467 -6.799 1.00 1.00 C ATOM 1856 O ALA A 119 -8.790 6.605 -7.082 1.00 1.00 O ATOM 1857 CB ALA A 119 -7.989 4.633 -4.485 1.00 1.00 C ATOM 0 H ALA A 119 -8.973 2.629 -5.521 1.00 1.00 H new ATOM 0 HA ALA A 119 -9.894 5.277 -5.259 1.00 1.00 H new ATOM 0 HB1 ALA A 119 -7.673 5.636 -4.198 1.00 1.00 H new ATOM 0 HB2 ALA A 119 -8.432 4.132 -3.624 1.00 1.00 H new ATOM 0 HB3 ALA A 119 -7.125 4.065 -4.830 1.00 1.00 H new ATOM 1863 N GLN A 120 -7.485 4.820 -7.495 1.00 1.00 N ATOM 1864 CA GLN A 120 -6.845 5.446 -8.652 1.00 1.00 C ATOM 1865 C GLN A 120 -7.815 5.560 -9.826 1.00 1.00 C ATOM 1866 O GLN A 120 -7.805 6.547 -10.558 1.00 1.00 O ATOM 1867 CB GLN A 120 -5.602 4.658 -9.076 1.00 1.00 C ATOM 1868 CG GLN A 120 -4.477 4.882 -8.060 1.00 1.00 C ATOM 1869 CD GLN A 120 -3.229 4.119 -8.489 1.00 1.00 C ATOM 1870 OE1 GLN A 120 -3.322 2.967 -8.911 1.00 1.00 O ATOM 1871 NE2 GLN A 120 -2.057 4.695 -8.407 1.00 1.00 N ATOM 0 H GLN A 120 -7.159 3.877 -7.283 1.00 1.00 H new ATOM 0 HA GLN A 120 -6.543 6.451 -8.357 1.00 1.00 H new ATOM 0 HB2 GLN A 120 -5.838 3.596 -9.143 1.00 1.00 H new ATOM 0 HB3 GLN A 120 -5.279 4.976 -10.067 1.00 1.00 H new ATOM 0 HG2 GLN A 120 -4.254 5.946 -7.981 1.00 1.00 H new ATOM 0 HG3 GLN A 120 -4.796 4.549 -7.072 1.00 1.00 H new ATOM 0 HE21 GLN A 120 -1.982 5.650 -8.057 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -1.219 4.189 -8.693 1.00 1.00 H new ATOM 1880 N LYS A 121 -8.645 4.544 -10.003 1.00 1.00 N ATOM 1881 CA LYS A 121 -9.619 4.535 -11.086 1.00 1.00 C ATOM 1882 C LYS A 121 -10.643 5.651 -10.894 1.00 1.00 C ATOM 1883 O LYS A 121 -11.016 6.340 -11.844 1.00 1.00 O ATOM 1884 CB LYS A 121 -10.322 3.177 -11.102 1.00 1.00 C ATOM 1885 CG LYS A 121 -11.298 3.077 -12.276 1.00 1.00 C ATOM 1886 CD LYS A 121 -11.994 1.717 -12.193 1.00 1.00 C ATOM 1887 CE LYS A 121 -12.977 1.551 -13.354 1.00 1.00 C ATOM 1888 NZ LYS A 121 -13.637 0.212 -13.268 1.00 1.00 N ATOM 0 H LYS A 121 -8.665 3.714 -9.411 1.00 1.00 H new ATOM 0 HA LYS A 121 -9.109 4.702 -12.035 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -9.581 2.381 -11.172 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -10.859 3.031 -10.165 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -12.030 3.884 -12.234 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -10.768 3.177 -13.223 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -11.252 0.919 -12.219 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -12.523 1.629 -11.244 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -13.728 2.340 -13.323 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -12.452 1.648 -14.304 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -14.304 0.102 -14.058 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -12.915 -0.535 -13.318 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -14.152 0.136 -12.367 1.00 1.00 H new ATOM 1902 N ALA A 122 -11.100 5.810 -9.657 1.00 1.00 N ATOM 1903 CA ALA A 122 -12.093 6.832 -9.335 1.00 1.00 C ATOM 1904 C ALA A 122 -11.590 8.235 -9.677 1.00 1.00 C ATOM 1905 O ALA A 122 -12.284 9.001 -10.346 1.00 1.00 O ATOM 1906 CB ALA A 122 -12.434 6.765 -7.843 1.00 1.00 C ATOM 0 H ALA A 122 -10.800 5.246 -8.861 1.00 1.00 H new ATOM 0 HA ALA A 122 -12.982 6.635 -9.934 1.00 1.00 H new ATOM 0 HB1 ALA A 122 -13.175 7.528 -7.604 1.00 1.00 H new ATOM 0 HB2 ALA A 122 -12.838 5.781 -7.606 1.00 1.00 H new ATOM 0 HB3 ALA A 122 -11.532 6.939 -7.256 1.00 1.00 H new ATOM 1912 N GLN A 123 -10.391 8.571 -9.215 1.00 1.00 N ATOM 1913 CA GLN A 123 -9.830 9.894 -9.484 1.00 1.00 C ATOM 1914 C GLN A 123 -9.407 10.015 -10.945 1.00 1.00 C ATOM 1915 O GLN A 123 -9.532 11.078 -11.554 1.00 1.00 O ATOM 1916 CB GLN A 123 -8.637 10.163 -8.563 1.00 1.00 C ATOM 1917 CG GLN A 123 -7.481 9.236 -8.928 1.00 1.00 C ATOM 1918 CD GLN A 123 -6.383 9.330 -7.874 1.00 1.00 C ATOM 1919 OE1 GLN A 123 -5.319 9.891 -8.132 1.00 1.00 O ATOM 1920 NE2 GLN A 123 -6.582 8.809 -6.693 1.00 1.00 N ATOM 0 H GLN A 123 -9.794 7.957 -8.660 1.00 1.00 H new ATOM 0 HA GLN A 123 -10.601 10.639 -9.287 1.00 1.00 H new ATOM 0 HB2 GLN A 123 -8.323 11.203 -8.654 1.00 1.00 H new ATOM 0 HB3 GLN A 123 -8.926 10.007 -7.524 1.00 1.00 H new ATOM 0 HG2 GLN A 123 -7.838 8.209 -9.003 1.00 1.00 H new ATOM 0 HG3 GLN A 123 -7.082 9.507 -9.906 1.00 1.00 H new ATOM 0 HE21 GLN A 123 -7.465 8.345 -6.483 1.00 1.00 H new ATOM 0 HE22 GLN A 123 -5.854 8.867 -5.981 1.00 1.00 H new ATOM 1929 N SER A 124 -8.903 8.915 -11.502 1.00 1.00 N ATOM 1930 CA SER A 124 -8.457 8.893 -12.893 1.00 1.00 C ATOM 1931 C SER A 124 -8.735 7.531 -13.521 1.00 1.00 C ATOM 1932 O SER A 124 -9.720 7.418 -14.232 1.00 1.00 O ATOM 1933 CB SER A 124 -6.960 9.190 -12.961 1.00 1.00 C ATOM 1934 OG SER A 124 -6.453 8.768 -14.221 1.00 1.00 O ATOM 1935 OXT SER A 124 -7.957 6.622 -13.283 1.00 1.00 O ATOM 0 H SER A 124 -8.794 8.028 -11.011 1.00 1.00 H new ATOM 0 HA SER A 124 -9.006 9.655 -13.446 1.00 1.00 H new ATOM 0 HB2 SER A 124 -6.783 10.257 -12.824 1.00 1.00 H new ATOM 0 HB3 SER A 124 -6.438 8.674 -12.155 1.00 1.00 H new ATOM 0 HG SER A 124 -5.493 8.959 -14.268 1.00 1.00 H new