USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 675 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 13 LYS NZ :NH3+ 144:sc= 2.13 (180deg=-0.998!) USER MOD Set 1.2: A 98 SER OG : rot 63:sc= 2.1 USER MOD Set 2.1: A 53 LYS NZ :NH3+ 140:sc= 1.44 (180deg=0.63) USER MOD Set 2.2: A 69 TYR OH : rot 152:sc= 1.34 USER MOD Set 3.1: A 39 SER OG : rot 85:sc= 2.26 USER MOD Set 3.2: A 63 SER OG : rot 125:sc= 1.93 USER MOD Set 3.3: A 65 THR OG1 : rot 44:sc= 2.17 USER MOD Set 4.1: A 24 THR OG1 : rot 153:sc= 1.22 USER MOD Set 4.2: A 32 LYS NZ :NH3+ -105:sc= 2.36 (180deg=0) USER MOD Set 4.3: A 33 SER OG : rot 72:sc= 3.17 USER MOD Set 4.4: A 36 GLN : amide:sc= 0.969 K(o=7.7,f=-3.1!) USER MOD Set 5.1: A 30 THR OG1 : rot 170:sc= 1.28 USER MOD Set 5.2: A 91 SER OG : rot -26:sc= 1.72 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.12 K(o=-0.12,f=-4.8!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 147:sc= 0.779 (180deg=-1.25!) USER MOD Single : A 20 SER OG : rot -83:sc= 0.898 USER MOD Single : A 22 LYS NZ :NH3+ 154:sc= 1.26 (180deg=1.13) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -127:sc= 1 USER MOD Single : A 28 LYS NZ :NH3+ -143:sc= 1.29 (180deg=-0.913!) USER MOD Single : A 29 SER OG : rot -159:sc= 1.28 USER MOD Single : A 38 LYS NZ :NH3+ 165:sc= 1.34 (180deg=1.14) USER MOD Single : A 40 LYS NZ :NH3+ -155:sc= 2.49 (180deg=2.25) USER MOD Single : A 47 ASN : amide:sc= 1.35 K(o=1.4,f=-8.8!) USER MOD Single : A 48 THR OG1 : rot -150:sc= 0.916 USER MOD Single : A 54 SER OG : rot 51:sc= 1.13 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -154:sc= 1.03 USER MOD Single : A 61 MET CE :methyl -165:sc= -0.0413 (180deg=-0.31) USER MOD Single : A 64 LYS NZ :NH3+ 177:sc= 1.99 (180deg=1.86) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 30:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00802 USER MOD ----------------------------------------------------------------- ATOM 108 N SER A 9 8.286 8.657 -24.819 1.00 0.00 N ATOM 109 CA SER A 9 7.539 8.024 -25.913 1.00 0.00 C ATOM 110 C SER A 9 6.605 6.912 -25.431 1.00 0.00 C ATOM 111 O SER A 9 5.469 6.858 -25.896 1.00 0.00 O ATOM 112 CB SER A 9 8.490 7.452 -26.970 1.00 0.00 C ATOM 113 OG SER A 9 9.195 8.474 -27.647 1.00 0.00 O ATOM 0 HA SER A 9 6.927 8.813 -26.350 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.199 6.775 -26.493 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.922 6.863 -27.690 1.00 0.00 H new ATOM 0 HG SER A 9 9.793 8.074 -28.312 1.00 0.00 H new ATOM 119 N ILE A 10 7.045 6.053 -24.492 1.00 0.00 N ATOM 120 CA ILE A 10 6.153 5.100 -23.800 1.00 0.00 C ATOM 121 C ILE A 10 5.030 5.879 -23.114 1.00 0.00 C ATOM 122 O ILE A 10 3.860 5.603 -23.368 1.00 0.00 O ATOM 123 CB ILE A 10 6.929 4.121 -22.873 1.00 0.00 C ATOM 124 CG1 ILE A 10 6.052 3.074 -22.135 1.00 0.00 C ATOM 125 CG2 ILE A 10 7.897 4.808 -21.897 1.00 0.00 C ATOM 126 CD1 ILE A 10 5.244 3.544 -20.916 1.00 0.00 C ATOM 0 H ILE A 10 8.019 5.999 -24.193 1.00 0.00 H new ATOM 0 HA ILE A 10 5.687 4.436 -24.528 1.00 0.00 H new ATOM 0 HB ILE A 10 7.532 3.562 -23.588 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.353 2.654 -22.858 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.702 2.261 -21.812 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.396 4.054 -21.289 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.641 5.372 -22.459 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.341 5.486 -21.250 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.682 2.705 -20.506 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.923 3.931 -20.156 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.553 4.330 -21.219 1.00 0.00 H new ATOM 138 N ASN A 11 5.387 6.911 -22.338 1.00 0.00 N ATOM 139 CA ASN A 11 4.479 7.898 -21.761 1.00 0.00 C ATOM 140 C ASN A 11 3.500 8.466 -22.813 1.00 0.00 C ATOM 141 O ASN A 11 2.290 8.349 -22.637 1.00 0.00 O ATOM 142 CB ASN A 11 5.357 8.937 -21.028 1.00 0.00 C ATOM 143 CG ASN A 11 4.766 10.331 -20.917 1.00 0.00 C ATOM 144 OD1 ASN A 11 4.082 10.661 -19.961 1.00 0.00 O ATOM 145 ND2 ASN A 11 5.045 11.181 -21.886 1.00 0.00 N ATOM 0 H ASN A 11 6.360 7.084 -22.087 1.00 0.00 H new ATOM 0 HA ASN A 11 3.803 7.456 -21.030 1.00 0.00 H new ATOM 0 HB2 ASN A 11 5.564 8.568 -20.023 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.314 9.007 -21.545 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.687 12.135 -21.846 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.618 10.884 -22.676 1.00 0.00 H new ATOM 152 N GLN A 12 3.989 9.029 -23.924 1.00 0.00 N ATOM 153 CA GLN A 12 3.163 9.642 -24.969 1.00 0.00 C ATOM 154 C GLN A 12 2.208 8.636 -25.631 1.00 0.00 C ATOM 155 O GLN A 12 1.020 8.924 -25.774 1.00 0.00 O ATOM 156 CB GLN A 12 4.082 10.320 -25.997 1.00 0.00 C ATOM 157 CG GLN A 12 3.309 11.062 -27.096 1.00 0.00 C ATOM 158 CD GLN A 12 4.240 11.865 -27.999 1.00 0.00 C ATOM 159 OE1 GLN A 12 4.205 13.083 -28.038 1.00 0.00 O ATOM 160 NE2 GLN A 12 5.105 11.220 -28.759 1.00 0.00 N ATOM 0 H GLN A 12 4.988 9.072 -24.125 1.00 0.00 H new ATOM 0 HA GLN A 12 2.521 10.393 -24.509 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.736 11.024 -25.483 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.722 9.567 -26.456 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.751 10.344 -27.696 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.579 11.731 -26.639 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.144 10.201 -28.735 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.734 11.740 -29.370 1.00 0.00 H new ATOM 169 N LYS A 13 2.703 7.453 -26.022 1.00 0.00 N ATOM 170 CA LYS A 13 1.885 6.385 -26.610 1.00 0.00 C ATOM 171 C LYS A 13 0.830 5.879 -25.619 1.00 0.00 C ATOM 172 O LYS A 13 -0.322 5.674 -26.000 1.00 0.00 O ATOM 173 CB LYS A 13 2.807 5.263 -27.110 1.00 0.00 C ATOM 174 CG LYS A 13 2.076 4.241 -27.995 1.00 0.00 C ATOM 175 CD LYS A 13 3.080 3.223 -28.553 1.00 0.00 C ATOM 176 CE LYS A 13 2.415 2.092 -29.346 1.00 0.00 C ATOM 177 NZ LYS A 13 1.758 2.561 -30.583 1.00 0.00 N ATOM 0 H LYS A 13 3.690 7.210 -25.938 1.00 0.00 H new ATOM 0 HA LYS A 13 1.331 6.778 -27.462 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.631 5.700 -27.673 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.243 4.749 -26.254 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.308 3.728 -27.416 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.569 4.752 -28.814 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.792 3.740 -29.197 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.649 2.794 -27.728 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.166 1.345 -29.601 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.677 1.598 -28.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.870 1.845 -31.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.746 2.716 -30.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.195 3.453 -30.892 1.00 0.00 H new ATOM 191 N LEU A 14 1.201 5.730 -24.343 1.00 0.00 N ATOM 192 CA LEU A 14 0.278 5.389 -23.265 1.00 0.00 C ATOM 193 C LEU A 14 -0.774 6.486 -23.045 1.00 0.00 C ATOM 194 O LEU A 14 -1.940 6.154 -22.866 1.00 0.00 O ATOM 195 CB LEU A 14 1.087 5.052 -22.006 1.00 0.00 C ATOM 196 CG LEU A 14 0.228 4.404 -20.905 1.00 0.00 C ATOM 197 CD1 LEU A 14 1.046 3.337 -20.182 1.00 0.00 C ATOM 198 CD2 LEU A 14 -0.259 5.434 -19.886 1.00 0.00 C ATOM 0 H LEU A 14 2.165 5.845 -24.030 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.298 4.505 -23.539 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.900 4.377 -22.271 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.543 5.963 -21.617 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.644 3.959 -21.383 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.438 2.878 -19.402 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.359 2.574 -20.894 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.926 3.796 -19.732 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.862 4.937 -19.126 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.599 5.912 -19.414 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.862 6.188 -20.391 1.00 0.00 H new ATOM 210 N ALA A 15 -0.412 7.773 -23.121 1.00 0.00 N ATOM 211 CA ALA A 15 -1.361 8.891 -23.077 1.00 0.00 C ATOM 212 C ALA A 15 -2.349 8.854 -24.252 1.00 0.00 C ATOM 213 O ALA A 15 -3.563 8.953 -24.060 1.00 0.00 O ATOM 214 CB ALA A 15 -0.602 10.220 -23.082 1.00 0.00 C ATOM 0 H ALA A 15 0.559 8.070 -23.216 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.937 8.796 -22.156 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.313 11.045 -23.049 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.051 10.269 -22.211 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.003 10.293 -23.990 1.00 0.00 H new ATOM 220 N LEU A 16 -1.820 8.677 -25.472 1.00 0.00 N ATOM 221 CA LEU A 16 -2.596 8.498 -26.696 1.00 0.00 C ATOM 222 C LEU A 16 -3.600 7.352 -26.531 1.00 0.00 C ATOM 223 O LEU A 16 -4.763 7.530 -26.877 1.00 0.00 O ATOM 224 CB LEU A 16 -1.623 8.318 -27.877 1.00 0.00 C ATOM 225 CG LEU A 16 -2.275 8.293 -29.275 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.217 8.641 -30.328 1.00 0.00 C ATOM 227 CD2 LEU A 16 -2.820 6.915 -29.661 1.00 0.00 C ATOM 0 H LEU A 16 -0.813 8.655 -25.633 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.200 9.380 -26.909 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.893 9.127 -27.850 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.074 7.387 -27.734 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.098 9.007 -29.239 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.671 8.625 -31.319 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.818 9.635 -30.128 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.409 7.910 -30.287 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.265 6.965 -30.655 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.006 6.190 -29.664 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.577 6.608 -28.939 1.00 0.00 H new ATOM 239 N VAL A 17 -3.181 6.225 -25.943 1.00 0.00 N ATOM 240 CA VAL A 17 -4.069 5.138 -25.511 1.00 0.00 C ATOM 241 C VAL A 17 -5.100 5.602 -24.474 1.00 0.00 C ATOM 242 O VAL A 17 -6.295 5.471 -24.727 1.00 0.00 O ATOM 243 CB VAL A 17 -3.230 3.931 -25.046 1.00 0.00 C ATOM 244 CG1 VAL A 17 -3.958 2.959 -24.109 1.00 0.00 C ATOM 245 CG2 VAL A 17 -2.763 3.178 -26.294 1.00 0.00 C ATOM 0 H VAL A 17 -2.197 6.039 -25.750 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.664 4.814 -26.364 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.402 4.329 -24.459 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.287 2.144 -23.837 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.271 3.487 -23.208 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.834 2.554 -24.615 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.165 2.316 -25.997 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.630 2.840 -26.861 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.160 3.841 -26.915 1.00 0.00 H new ATOM 255 N ILE A 18 -4.669 6.154 -23.333 1.00 0.00 N ATOM 256 CA ILE A 18 -5.512 6.644 -22.227 1.00 0.00 C ATOM 257 C ILE A 18 -6.631 7.598 -22.684 1.00 0.00 C ATOM 258 O ILE A 18 -7.703 7.596 -22.080 1.00 0.00 O ATOM 259 CB ILE A 18 -4.607 7.204 -21.098 1.00 0.00 C ATOM 260 CG1 ILE A 18 -4.082 6.013 -20.258 1.00 0.00 C ATOM 261 CG2 ILE A 18 -5.368 8.207 -20.225 1.00 0.00 C ATOM 262 CD1 ILE A 18 -3.442 6.373 -18.912 1.00 0.00 C ATOM 0 H ILE A 18 -3.675 6.279 -23.143 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.068 5.803 -21.813 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.766 7.743 -21.534 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.911 5.331 -20.073 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.348 5.469 -20.853 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.708 8.582 -19.443 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.711 9.039 -20.841 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.227 7.715 -19.770 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.111 5.463 -18.411 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.586 7.027 -19.079 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.173 6.886 -18.287 1.00 0.00 H new ATOM 274 N LYS A 19 -6.432 8.352 -23.774 1.00 0.00 N ATOM 275 CA LYS A 19 -7.469 9.171 -24.416 1.00 0.00 C ATOM 276 C LYS A 19 -8.758 8.398 -24.778 1.00 0.00 C ATOM 277 O LYS A 19 -9.803 9.039 -24.863 1.00 0.00 O ATOM 278 CB LYS A 19 -6.816 9.945 -25.578 1.00 0.00 C ATOM 279 CG LYS A 19 -7.729 10.781 -26.492 1.00 0.00 C ATOM 280 CD LYS A 19 -8.382 10.041 -27.679 1.00 0.00 C ATOM 281 CE LYS A 19 -7.421 9.641 -28.812 1.00 0.00 C ATOM 282 NZ LYS A 19 -6.729 8.361 -28.546 1.00 0.00 N ATOM 0 H LYS A 19 -5.528 8.411 -24.243 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.854 9.895 -23.698 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.066 10.613 -25.155 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.286 9.226 -26.203 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.522 11.211 -25.880 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.146 11.612 -26.888 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.868 9.141 -27.302 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.165 10.675 -28.095 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.979 9.561 -29.745 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.680 10.428 -28.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.566 7.861 -29.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.816 8.549 -28.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.317 7.771 -27.923 1.00 0.00 H new ATOM 296 N SER A 20 -8.742 7.060 -24.925 1.00 0.00 N ATOM 297 CA SER A 20 -9.990 6.261 -24.906 1.00 0.00 C ATOM 298 C SER A 20 -9.894 4.801 -24.414 1.00 0.00 C ATOM 299 O SER A 20 -10.929 4.209 -24.106 1.00 0.00 O ATOM 300 CB SER A 20 -10.685 6.298 -26.275 1.00 0.00 C ATOM 301 OG SER A 20 -10.086 5.424 -27.207 1.00 0.00 O ATOM 0 H SER A 20 -7.892 6.511 -25.057 1.00 0.00 H new ATOM 0 HA SER A 20 -10.581 6.762 -24.140 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.735 6.031 -26.154 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.658 7.315 -26.666 1.00 0.00 H new ATOM 0 HG SER A 20 -9.310 5.862 -27.615 1.00 0.00 H new ATOM 307 N GLY A 21 -8.698 4.214 -24.294 1.00 0.00 N ATOM 308 CA GLY A 21 -8.500 2.830 -23.853 1.00 0.00 C ATOM 309 C GLY A 21 -8.597 2.661 -22.331 1.00 0.00 C ATOM 310 O GLY A 21 -8.395 3.605 -21.565 1.00 0.00 O ATOM 0 H GLY A 21 -7.825 4.697 -24.505 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.244 2.193 -24.331 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.522 2.485 -24.189 1.00 0.00 H new ATOM 314 N LYS A 22 -8.886 1.433 -21.880 1.00 0.00 N ATOM 315 CA LYS A 22 -9.191 1.138 -20.472 1.00 0.00 C ATOM 316 C LYS A 22 -7.919 1.048 -19.618 1.00 0.00 C ATOM 317 O LYS A 22 -7.158 0.083 -19.749 1.00 0.00 O ATOM 318 CB LYS A 22 -10.017 -0.154 -20.343 1.00 0.00 C ATOM 319 CG LYS A 22 -11.371 -0.075 -21.065 1.00 0.00 C ATOM 320 CD LYS A 22 -12.271 -1.249 -20.652 1.00 0.00 C ATOM 321 CE LYS A 22 -13.593 -1.266 -21.426 1.00 0.00 C ATOM 322 NZ LYS A 22 -13.399 -1.715 -22.824 1.00 0.00 N ATOM 0 H LYS A 22 -8.915 0.612 -22.484 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.786 1.969 -20.094 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.443 -0.988 -20.748 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.186 -0.367 -19.287 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.862 0.869 -20.827 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.216 -0.090 -22.144 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.742 -2.187 -20.820 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.478 -1.187 -19.584 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.300 -1.927 -20.925 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.031 -0.268 -21.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.282 -2.132 -23.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.136 -0.902 -23.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.642 -2.427 -22.858 1.00 0.00 H new ATOM 336 N TYR A 23 -7.720 2.030 -18.731 1.00 0.00 N ATOM 337 CA TYR A 23 -6.628 2.074 -17.754 1.00 0.00 C ATOM 338 C TYR A 23 -7.104 2.082 -16.287 1.00 0.00 C ATOM 339 O TYR A 23 -8.292 2.202 -15.996 1.00 0.00 O ATOM 340 CB TYR A 23 -5.760 3.308 -18.050 1.00 0.00 C ATOM 341 CG TYR A 23 -6.412 4.634 -17.703 1.00 0.00 C ATOM 342 CD1 TYR A 23 -7.290 5.252 -18.614 1.00 0.00 C ATOM 343 CD2 TYR A 23 -6.140 5.249 -16.464 1.00 0.00 C ATOM 344 CE1 TYR A 23 -7.903 6.475 -18.290 1.00 0.00 C ATOM 345 CE2 TYR A 23 -6.752 6.473 -16.136 1.00 0.00 C ATOM 346 CZ TYR A 23 -7.631 7.092 -17.049 1.00 0.00 C ATOM 347 OH TYR A 23 -8.198 8.288 -16.737 1.00 0.00 O ATOM 0 H TYR A 23 -8.335 2.842 -18.672 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.051 1.156 -17.863 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.826 3.221 -17.495 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.503 3.310 -19.109 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.493 4.784 -19.566 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.462 4.781 -15.766 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.581 6.942 -18.989 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.548 6.939 -15.183 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.903 8.567 -15.845 1.00 0.00 H new ATOM 357 N THR A 24 -6.145 1.982 -15.359 1.00 0.00 N ATOM 358 CA THR A 24 -6.306 2.141 -13.904 1.00 0.00 C ATOM 359 C THR A 24 -5.051 2.781 -13.277 1.00 0.00 C ATOM 360 O THR A 24 -3.991 2.813 -13.911 1.00 0.00 O ATOM 361 CB THR A 24 -6.647 0.781 -13.268 1.00 0.00 C ATOM 362 OG1 THR A 24 -6.924 0.943 -11.894 1.00 0.00 O ATOM 363 CG2 THR A 24 -5.519 -0.237 -13.444 1.00 0.00 C ATOM 0 H THR A 24 -5.179 1.776 -15.615 1.00 0.00 H new ATOM 0 HA THR A 24 -7.134 2.821 -13.705 1.00 0.00 H new ATOM 0 HB THR A 24 -7.528 0.397 -13.783 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.535 0.236 -11.598 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.805 -1.181 -12.979 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.335 -0.397 -14.507 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.612 0.140 -12.972 1.00 0.00 H new ATOM 371 N LEU A 25 -5.171 3.298 -12.044 1.00 0.00 N ATOM 372 CA LEU A 25 -4.173 4.115 -11.328 1.00 0.00 C ATOM 373 C LEU A 25 -4.158 3.805 -9.826 1.00 0.00 C ATOM 374 O LEU A 25 -5.226 3.611 -9.245 1.00 0.00 O ATOM 375 CB LEU A 25 -4.532 5.613 -11.463 1.00 0.00 C ATOM 376 CG LEU A 25 -4.599 6.184 -12.885 1.00 0.00 C ATOM 377 CD1 LEU A 25 -5.051 7.644 -12.844 1.00 0.00 C ATOM 378 CD2 LEU A 25 -3.236 6.152 -13.561 1.00 0.00 C ATOM 0 H LEU A 25 -6.013 3.150 -11.487 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.202 3.885 -11.767 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.499 5.775 -10.986 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.799 6.190 -10.900 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.304 5.569 -13.443 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.095 8.040 -13.859 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.038 7.706 -12.387 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.342 8.228 -12.257 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.319 6.564 -14.567 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.529 6.747 -12.983 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.882 5.123 -13.618 1.00 0.00 H new ATOM 390 N GLY A 26 -2.980 3.867 -9.186 1.00 0.00 N ATOM 391 CA GLY A 26 -2.796 3.716 -7.729 1.00 0.00 C ATOM 392 C GLY A 26 -2.570 2.258 -7.300 1.00 0.00 C ATOM 393 O GLY A 26 -2.918 1.349 -8.042 1.00 0.00 O ATOM 0 H GLY A 26 -2.102 4.028 -9.680 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.945 4.318 -7.412 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.674 4.108 -7.215 1.00 0.00 H new ATOM 397 N TYR A 27 -1.986 2.013 -6.115 1.00 0.00 N ATOM 398 CA TYR A 27 -1.417 0.703 -5.742 1.00 0.00 C ATOM 399 C TYR A 27 -2.453 -0.436 -5.612 1.00 0.00 C ATOM 400 O TYR A 27 -2.614 -1.231 -6.536 1.00 0.00 O ATOM 401 CB TYR A 27 -0.532 0.847 -4.490 1.00 0.00 C ATOM 402 CG TYR A 27 0.179 -0.440 -4.111 1.00 0.00 C ATOM 403 CD1 TYR A 27 1.319 -0.853 -4.831 1.00 0.00 C ATOM 404 CD2 TYR A 27 -0.330 -1.261 -3.081 1.00 0.00 C ATOM 405 CE1 TYR A 27 1.900 -2.100 -4.561 1.00 0.00 C ATOM 406 CE2 TYR A 27 0.273 -2.502 -2.799 1.00 0.00 C ATOM 407 CZ TYR A 27 1.388 -2.928 -3.547 1.00 0.00 C ATOM 408 OH TYR A 27 1.995 -4.115 -3.287 1.00 0.00 O ATOM 0 H TYR A 27 -1.894 2.719 -5.385 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.793 0.387 -6.578 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.209 1.627 -4.664 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.148 1.175 -3.653 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.743 -0.210 -5.588 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.185 -0.936 -2.507 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.751 -2.428 -5.139 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.119 -3.127 -2.010 1.00 0.00 H new ATOM 0 HH TYR A 27 1.330 -4.834 -3.308 1.00 0.00 H new ATOM 418 N LYS A 28 -3.182 -0.545 -4.488 1.00 0.00 N ATOM 419 CA LYS A 28 -4.210 -1.593 -4.323 1.00 0.00 C ATOM 420 C LYS A 28 -5.385 -1.402 -5.297 1.00 0.00 C ATOM 421 O LYS A 28 -6.060 -2.362 -5.652 1.00 0.00 O ATOM 422 CB LYS A 28 -4.667 -1.683 -2.855 1.00 0.00 C ATOM 423 CG LYS A 28 -5.224 -3.076 -2.487 1.00 0.00 C ATOM 424 CD LYS A 28 -4.226 -4.002 -1.765 1.00 0.00 C ATOM 425 CE LYS A 28 -2.941 -4.286 -2.556 1.00 0.00 C ATOM 426 NZ LYS A 28 -2.053 -5.231 -1.834 1.00 0.00 N ATOM 0 H LYS A 28 -3.081 0.074 -3.684 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.759 -2.551 -4.580 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.826 -1.449 -2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.433 -0.930 -2.671 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.101 -2.945 -1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.561 -3.569 -3.399 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.958 -3.553 -0.809 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.720 -4.948 -1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.197 -4.700 -3.531 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.410 -3.351 -2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.061 -4.957 -1.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.272 -5.205 -0.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.203 -6.194 -2.196 1.00 0.00 H new ATOM 440 N SER A 29 -5.548 -0.179 -5.804 1.00 0.00 N ATOM 441 CA SER A 29 -6.411 0.206 -6.918 1.00 0.00 C ATOM 442 C SER A 29 -6.129 -0.592 -8.193 1.00 0.00 C ATOM 443 O SER A 29 -7.051 -1.233 -8.719 1.00 0.00 O ATOM 444 CB SER A 29 -6.156 1.673 -7.199 1.00 0.00 C ATOM 445 OG SER A 29 -6.993 2.143 -8.223 1.00 0.00 O ATOM 0 H SER A 29 -5.046 0.622 -5.420 1.00 0.00 H new ATOM 0 HA SER A 29 -7.445 0.005 -6.637 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.323 2.255 -6.292 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.113 1.817 -7.482 1.00 0.00 H new ATOM 0 HG SER A 29 -6.606 2.953 -8.616 1.00 0.00 H new ATOM 451 N THR A 30 -4.881 -0.589 -8.702 1.00 0.00 N ATOM 452 CA THR A 30 -4.541 -1.477 -9.815 1.00 0.00 C ATOM 453 C THR A 30 -4.696 -2.941 -9.400 1.00 0.00 C ATOM 454 O THR A 30 -5.398 -3.640 -10.109 1.00 0.00 O ATOM 455 CB THR A 30 -3.214 -1.166 -10.524 1.00 0.00 C ATOM 456 OG1 THR A 30 -3.128 -2.036 -11.628 1.00 0.00 O ATOM 457 CG2 THR A 30 -1.972 -1.345 -9.662 1.00 0.00 C ATOM 0 H THR A 30 -4.118 0.001 -8.369 1.00 0.00 H new ATOM 0 HA THR A 30 -5.270 -1.273 -10.599 1.00 0.00 H new ATOM 0 HB THR A 30 -3.229 -0.111 -10.798 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.380 -1.766 -12.200 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.085 -1.103 -10.247 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.029 -0.682 -8.799 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.911 -2.379 -9.322 1.00 0.00 H new ATOM 465 N VAL A 31 -4.220 -3.404 -8.230 1.00 0.00 N ATOM 466 CA VAL A 31 -4.430 -4.804 -7.777 1.00 0.00 C ATOM 467 C VAL A 31 -5.890 -5.262 -7.925 1.00 0.00 C ATOM 468 O VAL A 31 -6.182 -6.241 -8.617 1.00 0.00 O ATOM 469 CB VAL A 31 -3.939 -5.025 -6.332 1.00 0.00 C ATOM 470 CG1 VAL A 31 -4.239 -6.457 -5.866 1.00 0.00 C ATOM 471 CG2 VAL A 31 -2.437 -4.734 -6.221 1.00 0.00 C ATOM 0 H VAL A 31 -3.686 -2.833 -7.575 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.824 -5.423 -8.439 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.476 -4.333 -5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.884 -6.589 -4.844 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.314 -6.634 -5.902 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.733 -7.166 -6.521 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.110 -4.896 -5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.887 -5.400 -6.886 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.245 -3.699 -6.504 1.00 0.00 H new ATOM 481 N LYS A 32 -6.807 -4.502 -7.317 1.00 0.00 N ATOM 482 CA LYS A 32 -8.259 -4.625 -7.435 1.00 0.00 C ATOM 483 C LYS A 32 -8.696 -4.658 -8.908 1.00 0.00 C ATOM 484 O LYS A 32 -9.438 -5.546 -9.317 1.00 0.00 O ATOM 485 CB LYS A 32 -8.849 -3.466 -6.603 1.00 0.00 C ATOM 486 CG LYS A 32 -10.381 -3.330 -6.544 1.00 0.00 C ATOM 487 CD LYS A 32 -11.049 -2.760 -7.806 1.00 0.00 C ATOM 488 CE LYS A 32 -10.580 -1.349 -8.195 1.00 0.00 C ATOM 489 NZ LYS A 32 -10.914 -1.045 -9.608 1.00 0.00 N ATOM 0 H LYS A 32 -6.537 -3.741 -6.694 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.638 -5.568 -7.042 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.483 -3.567 -5.581 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.445 -2.533 -6.996 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.807 -4.313 -6.342 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.638 -2.691 -5.699 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.857 -3.435 -8.640 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.128 -2.741 -7.653 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.049 -0.614 -7.541 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.503 -1.267 -8.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.052 -1.097 -10.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.608 -1.736 -9.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.316 -0.088 -9.671 1.00 0.00 H new ATOM 503 N SER A 33 -8.235 -3.701 -9.713 1.00 0.00 N ATOM 504 CA SER A 33 -8.580 -3.559 -11.135 1.00 0.00 C ATOM 505 C SER A 33 -8.077 -4.722 -12.010 1.00 0.00 C ATOM 506 O SER A 33 -8.812 -5.193 -12.874 1.00 0.00 O ATOM 507 CB SER A 33 -8.005 -2.248 -11.676 1.00 0.00 C ATOM 508 OG SER A 33 -8.362 -1.131 -10.873 1.00 0.00 O ATOM 0 H SER A 33 -7.592 -2.979 -9.388 1.00 0.00 H new ATOM 0 HA SER A 33 -9.669 -3.565 -11.188 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.919 -2.324 -11.727 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.362 -2.090 -12.694 1.00 0.00 H new ATOM 0 HG SER A 33 -7.873 -1.168 -10.025 1.00 0.00 H new ATOM 514 N LEU A 34 -6.850 -5.205 -11.774 1.00 0.00 N ATOM 515 CA LEU A 34 -6.227 -6.366 -12.418 1.00 0.00 C ATOM 516 C LEU A 34 -7.000 -7.657 -12.102 1.00 0.00 C ATOM 517 O LEU A 34 -7.012 -8.583 -12.909 1.00 0.00 O ATOM 518 CB LEU A 34 -4.763 -6.507 -11.939 1.00 0.00 C ATOM 519 CG LEU A 34 -3.817 -5.324 -12.234 1.00 0.00 C ATOM 520 CD1 LEU A 34 -2.553 -5.401 -11.373 1.00 0.00 C ATOM 521 CD2 LEU A 34 -3.365 -5.287 -13.681 1.00 0.00 C ATOM 0 H LEU A 34 -6.231 -4.770 -11.089 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.248 -6.209 -13.496 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.773 -6.674 -10.862 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.341 -7.402 -12.396 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.394 -4.428 -12.007 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.905 -4.555 -11.602 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.829 -5.372 -10.319 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.025 -6.331 -11.585 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.702 -4.436 -13.833 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.834 -6.208 -13.920 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.234 -5.191 -14.331 1.00 0.00 H new ATOM 533 N ARG A 35 -7.644 -7.720 -10.927 1.00 0.00 N ATOM 534 CA ARG A 35 -8.591 -8.773 -10.537 1.00 0.00 C ATOM 535 C ARG A 35 -9.965 -8.605 -11.186 1.00 0.00 C ATOM 536 O ARG A 35 -10.518 -9.592 -11.661 1.00 0.00 O ATOM 537 CB ARG A 35 -8.670 -8.840 -9.002 1.00 0.00 C ATOM 538 CG ARG A 35 -7.598 -9.705 -8.308 1.00 0.00 C ATOM 539 CD ARG A 35 -6.178 -9.725 -8.905 1.00 0.00 C ATOM 540 NE ARG A 35 -6.091 -10.651 -10.059 1.00 0.00 N ATOM 541 CZ ARG A 35 -5.299 -10.561 -11.120 1.00 0.00 C ATOM 542 NH1 ARG A 35 -4.273 -9.755 -11.150 1.00 0.00 N ATOM 543 NH2 ARG A 35 -5.522 -11.273 -12.191 1.00 0.00 N ATOM 0 H ARG A 35 -7.515 -7.017 -10.200 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.219 -9.727 -10.912 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.600 -7.826 -8.610 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.652 -9.222 -8.725 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.519 -9.371 -7.274 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.963 -10.732 -8.284 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.900 -8.720 -9.221 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.464 -10.027 -8.139 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.717 -11.456 -10.035 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.060 -9.170 -10.342 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.684 -9.710 -11.982 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.316 -11.912 -12.222 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.902 -11.190 -12.997 1.00 0.00 H new ATOM 557 N GLN A 36 -10.499 -7.383 -11.235 1.00 0.00 N ATOM 558 CA GLN A 36 -11.762 -7.084 -11.925 1.00 0.00 C ATOM 559 C GLN A 36 -11.727 -7.319 -13.444 1.00 0.00 C ATOM 560 O GLN A 36 -12.723 -7.789 -13.991 1.00 0.00 O ATOM 561 CB GLN A 36 -12.196 -5.630 -11.679 1.00 0.00 C ATOM 562 CG GLN A 36 -12.748 -5.394 -10.271 1.00 0.00 C ATOM 563 CD GLN A 36 -13.345 -3.990 -10.151 1.00 0.00 C ATOM 564 OE1 GLN A 36 -12.689 -2.978 -10.386 1.00 0.00 O ATOM 565 NE2 GLN A 36 -14.601 -3.869 -9.771 1.00 0.00 N ATOM 0 H GLN A 36 -10.069 -6.568 -10.797 1.00 0.00 H new ATOM 0 HA GLN A 36 -12.477 -7.787 -11.498 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.344 -4.971 -11.843 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -12.956 -5.356 -12.411 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -13.511 -6.139 -10.045 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.952 -5.520 -9.537 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -15.156 -4.701 -9.573 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.018 -2.943 -9.675 1.00 0.00 H new ATOM 574 N GLY A 37 -10.643 -6.935 -14.136 1.00 0.00 N ATOM 575 CA GLY A 37 -10.644 -6.781 -15.593 1.00 0.00 C ATOM 576 C GLY A 37 -9.495 -7.462 -16.342 1.00 0.00 C ATOM 577 O GLY A 37 -8.494 -7.892 -15.772 1.00 0.00 O ATOM 0 H GLY A 37 -9.745 -6.724 -13.700 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.585 -7.173 -15.979 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.622 -5.716 -15.826 1.00 0.00 H new ATOM 581 N LYS A 38 -9.649 -7.503 -17.671 1.00 0.00 N ATOM 582 CA LYS A 38 -8.736 -8.095 -18.657 1.00 0.00 C ATOM 583 C LYS A 38 -7.422 -7.300 -18.780 1.00 0.00 C ATOM 584 O LYS A 38 -7.196 -6.611 -19.770 1.00 0.00 O ATOM 585 CB LYS A 38 -9.507 -8.188 -19.989 1.00 0.00 C ATOM 586 CG LYS A 38 -8.809 -9.032 -21.073 1.00 0.00 C ATOM 587 CD LYS A 38 -9.426 -8.785 -22.460 1.00 0.00 C ATOM 588 CE LYS A 38 -10.888 -9.246 -22.548 1.00 0.00 C ATOM 589 NZ LYS A 38 -11.550 -8.696 -23.752 1.00 0.00 N ATOM 0 H LYS A 38 -10.471 -7.096 -18.117 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.424 -9.091 -18.341 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.492 -8.611 -19.795 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.663 -7.181 -20.375 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.747 -8.789 -21.097 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.889 -10.089 -20.821 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.370 -7.722 -22.694 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.838 -9.309 -23.213 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.928 -10.335 -22.573 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.427 -8.928 -21.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.436 -9.212 -23.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.760 -7.688 -23.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.920 -8.801 -24.573 1.00 0.00 H new ATOM 603 N SER A 39 -6.557 -7.371 -17.766 1.00 0.00 N ATOM 604 CA SER A 39 -5.259 -6.684 -17.765 1.00 0.00 C ATOM 605 C SER A 39 -4.327 -7.162 -18.889 1.00 0.00 C ATOM 606 O SER A 39 -4.393 -8.327 -19.300 1.00 0.00 O ATOM 607 CB SER A 39 -4.591 -6.827 -16.393 1.00 0.00 C ATOM 608 OG SER A 39 -4.071 -8.117 -16.139 1.00 0.00 O ATOM 0 H SER A 39 -6.736 -7.908 -16.918 1.00 0.00 H new ATOM 0 HA SER A 39 -5.451 -5.629 -17.962 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.783 -6.099 -16.316 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.318 -6.580 -15.619 1.00 0.00 H new ATOM 0 HG SER A 39 -3.168 -8.186 -16.515 1.00 0.00 H new ATOM 614 N LYS A 40 -3.409 -6.299 -19.361 1.00 0.00 N ATOM 615 CA LYS A 40 -2.330 -6.721 -20.268 1.00 0.00 C ATOM 616 C LYS A 40 -0.964 -6.057 -20.049 1.00 0.00 C ATOM 617 O LYS A 40 0.056 -6.690 -20.330 1.00 0.00 O ATOM 618 CB LYS A 40 -2.840 -6.551 -21.705 1.00 0.00 C ATOM 619 CG LYS A 40 -1.991 -7.247 -22.783 1.00 0.00 C ATOM 620 CD LYS A 40 -1.690 -8.743 -22.584 1.00 0.00 C ATOM 621 CE LYS A 40 -2.944 -9.630 -22.532 1.00 0.00 C ATOM 622 NZ LYS A 40 -3.321 -10.011 -21.150 1.00 0.00 N ATOM 0 H LYS A 40 -3.394 -5.306 -19.128 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.109 -7.765 -20.045 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.858 -6.936 -21.761 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.889 -5.486 -21.934 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.498 -7.129 -23.741 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.041 -6.718 -22.858 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.048 -9.085 -23.396 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.128 -8.870 -21.659 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.776 -9.103 -22.998 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.770 -10.532 -23.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.863 -10.899 -21.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.461 -10.143 -20.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.904 -9.259 -20.729 1.00 0.00 H new ATOM 636 N LEU A 41 -0.910 -4.842 -19.494 1.00 0.00 N ATOM 637 CA LEU A 41 0.343 -4.114 -19.258 1.00 0.00 C ATOM 638 C LEU A 41 0.235 -3.292 -17.963 1.00 0.00 C ATOM 639 O LEU A 41 -0.672 -2.472 -17.846 1.00 0.00 O ATOM 640 CB LEU A 41 0.602 -3.300 -20.547 1.00 0.00 C ATOM 641 CG LEU A 41 1.675 -2.197 -20.578 1.00 0.00 C ATOM 642 CD1 LEU A 41 1.184 -0.896 -19.948 1.00 0.00 C ATOM 643 CD2 LEU A 41 3.026 -2.593 -19.985 1.00 0.00 C ATOM 0 H LEU A 41 -1.740 -4.331 -19.193 1.00 0.00 H new ATOM 0 HA LEU A 41 1.205 -4.758 -19.085 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.853 -4.014 -21.332 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.343 -2.836 -20.828 1.00 0.00 H new ATOM 0 HG LEU A 41 1.849 -2.037 -21.642 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.976 -0.148 -19.993 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.312 -0.534 -20.493 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.913 -1.075 -18.907 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.714 -1.750 -20.053 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.897 -2.873 -18.939 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.433 -3.439 -20.539 1.00 0.00 H new ATOM 655 N ILE A 42 1.143 -3.492 -16.993 1.00 0.00 N ATOM 656 CA ILE A 42 1.288 -2.602 -15.826 1.00 0.00 C ATOM 657 C ILE A 42 2.543 -1.736 -15.948 1.00 0.00 C ATOM 658 O ILE A 42 3.579 -2.196 -16.430 1.00 0.00 O ATOM 659 CB ILE A 42 1.214 -3.337 -14.462 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.474 -4.123 -14.044 1.00 0.00 C ATOM 661 CG2 ILE A 42 -0.007 -4.269 -14.402 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.400 -4.600 -12.590 1.00 0.00 C ATOM 0 H ILE A 42 1.797 -4.274 -16.995 1.00 0.00 H new ATOM 0 HA ILE A 42 0.419 -1.944 -15.837 1.00 0.00 H new ATOM 0 HB ILE A 42 1.125 -2.524 -13.741 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.599 -4.983 -14.701 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.354 -3.493 -14.174 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.034 -4.771 -13.435 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.918 -3.684 -14.533 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.064 -5.013 -15.195 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.308 -5.148 -12.340 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.303 -3.739 -11.929 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.536 -5.253 -12.465 1.00 0.00 H new ATOM 674 N ILE A 43 2.459 -0.495 -15.462 1.00 0.00 N ATOM 675 CA ILE A 43 3.579 0.435 -15.333 1.00 0.00 C ATOM 676 C ILE A 43 3.885 0.625 -13.853 1.00 0.00 C ATOM 677 O ILE A 43 2.979 0.888 -13.057 1.00 0.00 O ATOM 678 CB ILE A 43 3.265 1.821 -15.931 1.00 0.00 C ATOM 679 CG1 ILE A 43 2.639 1.816 -17.337 1.00 0.00 C ATOM 680 CG2 ILE A 43 4.533 2.693 -15.918 1.00 0.00 C ATOM 681 CD1 ILE A 43 3.509 1.161 -18.412 1.00 0.00 C ATOM 0 H ILE A 43 1.577 -0.098 -15.137 1.00 0.00 H new ATOM 0 HA ILE A 43 4.423 0.010 -15.877 1.00 0.00 H new ATOM 0 HB ILE A 43 2.492 2.239 -15.287 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.682 1.296 -17.294 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.430 2.844 -17.632 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.306 3.671 -16.342 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.881 2.814 -14.892 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.311 2.213 -16.511 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.993 1.200 -19.371 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.457 1.694 -18.487 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.698 0.121 -18.144 1.00 0.00 H new ATOM 693 N ILE A 44 5.171 0.571 -13.507 1.00 0.00 N ATOM 694 CA ILE A 44 5.649 0.872 -12.162 1.00 0.00 C ATOM 695 C ILE A 44 6.700 1.986 -12.275 1.00 0.00 C ATOM 696 O ILE A 44 7.887 1.721 -12.466 1.00 0.00 O ATOM 697 CB ILE A 44 6.120 -0.413 -11.431 1.00 0.00 C ATOM 698 CG1 ILE A 44 5.054 -1.547 -11.478 1.00 0.00 C ATOM 699 CG2 ILE A 44 6.436 -0.060 -9.967 1.00 0.00 C ATOM 700 CD1 ILE A 44 5.536 -2.898 -10.949 1.00 0.00 C ATOM 0 H ILE A 44 5.914 0.315 -14.158 1.00 0.00 H new ATOM 0 HA ILE A 44 4.848 1.247 -11.525 1.00 0.00 H new ATOM 0 HB ILE A 44 7.008 -0.786 -11.941 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.185 -1.234 -10.899 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.722 -1.673 -12.509 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.769 -0.955 -9.441 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.223 0.693 -9.936 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.540 0.332 -9.486 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.728 -3.626 -11.020 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.385 -3.239 -11.542 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.839 -2.794 -9.907 1.00 0.00 H new ATOM 712 N ALA A 45 6.238 3.241 -12.181 1.00 0.00 N ATOM 713 CA ALA A 45 7.026 4.476 -12.100 1.00 0.00 C ATOM 714 C ALA A 45 6.864 5.128 -10.710 1.00 0.00 C ATOM 715 O ALA A 45 6.514 6.301 -10.579 1.00 0.00 O ATOM 716 CB ALA A 45 6.652 5.413 -13.257 1.00 0.00 C ATOM 0 H ALA A 45 5.236 3.431 -12.158 1.00 0.00 H new ATOM 0 HA ALA A 45 8.086 4.247 -12.209 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.241 6.327 -13.190 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.857 4.918 -14.206 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.592 5.659 -13.198 1.00 0.00 H new ATOM 722 N ALA A 46 7.075 4.332 -9.656 1.00 0.00 N ATOM 723 CA ALA A 46 6.837 4.696 -8.261 1.00 0.00 C ATOM 724 C ALA A 46 7.975 4.204 -7.349 1.00 0.00 C ATOM 725 O ALA A 46 8.794 3.382 -7.759 1.00 0.00 O ATOM 726 CB ALA A 46 5.485 4.095 -7.854 1.00 0.00 C ATOM 0 H ALA A 46 7.430 3.381 -9.759 1.00 0.00 H new ATOM 0 HA ALA A 46 6.813 5.780 -8.152 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.273 4.347 -6.815 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.700 4.499 -8.493 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.521 3.011 -7.965 1.00 0.00 H new ATOM 732 N ASN A 47 8.003 4.673 -6.095 1.00 0.00 N ATOM 733 CA ASN A 47 8.980 4.332 -5.048 1.00 0.00 C ATOM 734 C ASN A 47 8.874 2.870 -4.546 1.00 0.00 C ATOM 735 O ASN A 47 8.667 2.619 -3.360 1.00 0.00 O ATOM 736 CB ASN A 47 8.855 5.376 -3.914 1.00 0.00 C ATOM 737 CG ASN A 47 7.523 5.382 -3.162 1.00 0.00 C ATOM 738 OD1 ASN A 47 6.523 4.791 -3.563 1.00 0.00 O ATOM 739 ND2 ASN A 47 7.462 6.080 -2.047 1.00 0.00 N ATOM 0 H ASN A 47 7.305 5.339 -5.763 1.00 0.00 H new ATOM 0 HA ASN A 47 9.982 4.377 -5.475 1.00 0.00 H new ATOM 0 HB2 ASN A 47 9.656 5.203 -3.195 1.00 0.00 H new ATOM 0 HB3 ASN A 47 9.016 6.367 -4.338 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.589 6.128 -1.522 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.288 6.573 -1.708 1.00 0.00 H new ATOM 746 N THR A 48 8.956 1.903 -5.463 1.00 0.00 N ATOM 747 CA THR A 48 8.533 0.510 -5.275 1.00 0.00 C ATOM 748 C THR A 48 9.719 -0.414 -4.947 1.00 0.00 C ATOM 749 O THR A 48 10.516 -0.689 -5.849 1.00 0.00 O ATOM 750 CB THR A 48 7.795 0.024 -6.533 1.00 0.00 C ATOM 751 OG1 THR A 48 6.687 0.854 -6.820 1.00 0.00 O ATOM 752 CG2 THR A 48 7.215 -1.374 -6.366 1.00 0.00 C ATOM 0 H THR A 48 9.334 2.074 -6.395 1.00 0.00 H new ATOM 0 HA THR A 48 7.858 0.472 -4.420 1.00 0.00 H new ATOM 0 HB THR A 48 8.543 0.040 -7.325 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.990 0.327 -7.265 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.705 -1.668 -7.283 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.019 -2.079 -6.156 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.505 -1.377 -5.539 1.00 0.00 H new ATOM 760 N PRO A 49 9.848 -0.912 -3.698 1.00 0.00 N ATOM 761 CA PRO A 49 10.839 -1.923 -3.322 1.00 0.00 C ATOM 762 C PRO A 49 10.429 -3.343 -3.756 1.00 0.00 C ATOM 763 O PRO A 49 9.311 -3.579 -4.218 1.00 0.00 O ATOM 764 CB PRO A 49 10.941 -1.811 -1.795 1.00 0.00 C ATOM 765 CG PRO A 49 9.514 -1.451 -1.390 1.00 0.00 C ATOM 766 CD PRO A 49 9.079 -0.522 -2.521 1.00 0.00 C ATOM 0 HA PRO A 49 11.793 -1.750 -3.819 1.00 0.00 H new ATOM 0 HB2 PRO A 49 11.267 -2.747 -1.341 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.654 -1.044 -1.492 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.877 -2.332 -1.320 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.479 -0.955 -0.420 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.009 -0.614 -2.709 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.268 0.520 -2.262 1.00 0.00 H new ATOM 774 N VAL A 50 11.336 -4.310 -3.557 1.00 0.00 N ATOM 775 CA VAL A 50 11.234 -5.704 -4.027 1.00 0.00 C ATOM 776 C VAL A 50 9.927 -6.393 -3.615 1.00 0.00 C ATOM 777 O VAL A 50 9.283 -7.021 -4.455 1.00 0.00 O ATOM 778 CB VAL A 50 12.458 -6.532 -3.573 1.00 0.00 C ATOM 779 CG1 VAL A 50 12.402 -7.974 -4.102 1.00 0.00 C ATOM 780 CG2 VAL A 50 13.773 -5.909 -4.069 1.00 0.00 C ATOM 0 H VAL A 50 12.199 -4.137 -3.042 1.00 0.00 H new ATOM 0 HA VAL A 50 11.223 -5.655 -5.116 1.00 0.00 H new ATOM 0 HB VAL A 50 12.427 -6.535 -2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.280 -8.521 -3.760 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.502 -8.463 -3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.384 -7.961 -5.192 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.613 -6.516 -3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 50 13.768 -5.869 -5.158 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.871 -4.900 -3.669 1.00 0.00 H new ATOM 790 N LEU A 51 9.503 -6.288 -2.351 1.00 0.00 N ATOM 791 CA LEU A 51 8.256 -6.908 -1.885 1.00 0.00 C ATOM 792 C LEU A 51 7.025 -6.300 -2.578 1.00 0.00 C ATOM 793 O LEU A 51 6.149 -7.023 -3.053 1.00 0.00 O ATOM 794 CB LEU A 51 8.144 -6.782 -0.353 1.00 0.00 C ATOM 795 CG LEU A 51 9.279 -7.464 0.439 1.00 0.00 C ATOM 796 CD1 LEU A 51 9.080 -7.210 1.934 1.00 0.00 C ATOM 797 CD2 LEU A 51 9.336 -8.978 0.205 1.00 0.00 C ATOM 0 H LEU A 51 10.008 -5.776 -1.628 1.00 0.00 H new ATOM 0 HA LEU A 51 8.284 -7.965 -2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.122 -5.724 -0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.192 -7.209 -0.036 1.00 0.00 H new ATOM 0 HG LEU A 51 10.217 -7.035 0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.881 -7.691 2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.096 -6.137 2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.120 -7.620 2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.153 -9.406 0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.394 -9.430 0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.502 -9.177 -0.854 1.00 0.00 H new ATOM 809 N ARG A 52 6.985 -4.965 -2.679 1.00 0.00 N ATOM 810 CA ARG A 52 5.904 -4.211 -3.318 1.00 0.00 C ATOM 811 C ARG A 52 5.828 -4.517 -4.822 1.00 0.00 C ATOM 812 O ARG A 52 4.741 -4.800 -5.337 1.00 0.00 O ATOM 813 CB ARG A 52 6.087 -2.715 -2.991 1.00 0.00 C ATOM 814 CG ARG A 52 4.787 -1.933 -3.178 1.00 0.00 C ATOM 815 CD ARG A 52 4.839 -0.473 -2.710 1.00 0.00 C ATOM 816 NE ARG A 52 5.240 0.445 -3.789 1.00 0.00 N ATOM 817 CZ ARG A 52 5.455 1.748 -3.688 1.00 0.00 C ATOM 818 NH1 ARG A 52 5.393 2.411 -2.562 1.00 0.00 N ATOM 819 NH2 ARG A 52 5.771 2.443 -4.746 1.00 0.00 N ATOM 0 H ARG A 52 7.723 -4.366 -2.309 1.00 0.00 H new ATOM 0 HA ARG A 52 4.936 -4.518 -2.922 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.432 -2.607 -1.963 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.861 -2.294 -3.633 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.518 -1.951 -4.234 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.991 -2.445 -2.637 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.860 -0.180 -2.332 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.541 -0.384 -1.881 1.00 0.00 H new ATOM 0 HE ARG A 52 5.366 0.033 -4.714 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.168 1.923 -1.695 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.569 3.416 -2.551 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.853 1.983 -5.653 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.936 3.446 -4.666 1.00 0.00 H new ATOM 833 N LYS A 53 6.982 -4.528 -5.518 1.00 0.00 N ATOM 834 CA LYS A 53 7.004 -4.899 -6.941 1.00 0.00 C ATOM 835 C LYS A 53 6.540 -6.345 -7.091 1.00 0.00 C ATOM 836 O LYS A 53 5.724 -6.599 -7.961 1.00 0.00 O ATOM 837 CB LYS A 53 8.351 -4.649 -7.662 1.00 0.00 C ATOM 838 CG LYS A 53 9.385 -5.788 -7.633 1.00 0.00 C ATOM 839 CD LYS A 53 10.686 -5.447 -8.374 1.00 0.00 C ATOM 840 CE LYS A 53 11.483 -6.708 -8.748 1.00 0.00 C ATOM 841 NZ LYS A 53 10.859 -7.473 -9.858 1.00 0.00 N ATOM 0 H LYS A 53 7.892 -4.289 -5.125 1.00 0.00 H new ATOM 0 HA LYS A 53 6.311 -4.228 -7.448 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.138 -4.413 -8.704 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.811 -3.764 -7.222 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.619 -6.031 -6.596 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.945 -6.680 -8.078 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.452 -4.885 -9.278 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.302 -4.801 -7.748 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.495 -6.422 -9.034 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.569 -7.351 -7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.600 -7.823 -10.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.328 -8.279 -9.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.211 -6.854 -10.385 1.00 0.00 H new ATOM 855 N SER A 54 7.005 -7.253 -6.220 1.00 0.00 N ATOM 856 CA SER A 54 6.659 -8.679 -6.254 1.00 0.00 C ATOM 857 C SER A 54 5.148 -8.901 -6.179 1.00 0.00 C ATOM 858 O SER A 54 4.637 -9.734 -6.919 1.00 0.00 O ATOM 859 CB SER A 54 7.349 -9.471 -5.137 1.00 0.00 C ATOM 860 OG SER A 54 8.755 -9.355 -5.226 1.00 0.00 O ATOM 0 H SER A 54 7.642 -7.012 -5.461 1.00 0.00 H new ATOM 0 HA SER A 54 7.021 -9.050 -7.213 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.011 -9.107 -4.167 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.063 -10.521 -5.201 1.00 0.00 H new ATOM 0 HG SER A 54 9.002 -8.409 -5.286 1.00 0.00 H new ATOM 866 N GLU A 55 4.421 -8.136 -5.351 1.00 0.00 N ATOM 867 CA GLU A 55 2.955 -8.155 -5.363 1.00 0.00 C ATOM 868 C GLU A 55 2.406 -7.747 -6.744 1.00 0.00 C ATOM 869 O GLU A 55 1.656 -8.508 -7.352 1.00 0.00 O ATOM 870 CB GLU A 55 2.371 -7.245 -4.256 1.00 0.00 C ATOM 871 CG GLU A 55 1.324 -7.963 -3.385 1.00 0.00 C ATOM 872 CD GLU A 55 0.227 -7.029 -2.838 1.00 0.00 C ATOM 873 OE1 GLU A 55 0.478 -5.829 -2.556 1.00 0.00 O ATOM 874 OE2 GLU A 55 -0.945 -7.473 -2.765 1.00 0.00 O ATOM 0 H GLU A 55 4.826 -7.498 -4.666 1.00 0.00 H new ATOM 0 HA GLU A 55 2.640 -9.178 -5.159 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.181 -6.887 -3.621 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.915 -6.368 -4.716 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.856 -8.753 -3.972 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.829 -8.445 -2.548 1.00 0.00 H new ATOM 881 N LEU A 56 2.787 -6.567 -7.261 1.00 0.00 N ATOM 882 CA LEU A 56 2.294 -6.074 -8.565 1.00 0.00 C ATOM 883 C LEU A 56 2.596 -7.033 -9.720 1.00 0.00 C ATOM 884 O LEU A 56 1.750 -7.332 -10.561 1.00 0.00 O ATOM 885 CB LEU A 56 2.842 -4.667 -8.824 1.00 0.00 C ATOM 886 CG LEU A 56 2.370 -3.648 -7.772 1.00 0.00 C ATOM 887 CD1 LEU A 56 2.356 -2.282 -8.430 1.00 0.00 C ATOM 888 CD2 LEU A 56 0.960 -3.902 -7.221 1.00 0.00 C ATOM 0 H LEU A 56 3.437 -5.933 -6.797 1.00 0.00 H new ATOM 0 HA LEU A 56 1.206 -6.023 -8.514 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.931 -4.700 -8.830 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.528 -4.335 -9.814 1.00 0.00 H new ATOM 0 HG LEU A 56 3.059 -3.729 -6.931 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.025 -1.534 -7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.360 -2.034 -8.775 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.673 -2.294 -9.280 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.713 -3.135 -6.487 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.239 -3.869 -8.038 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.926 -4.883 -6.747 1.00 0.00 H new ATOM 900 N GLU A 57 3.816 -7.542 -9.693 1.00 0.00 N ATOM 901 CA GLU A 57 4.390 -8.549 -10.580 1.00 0.00 C ATOM 902 C GLU A 57 3.652 -9.895 -10.486 1.00 0.00 C ATOM 903 O GLU A 57 3.434 -10.530 -11.516 1.00 0.00 O ATOM 904 CB GLU A 57 5.884 -8.628 -10.236 1.00 0.00 C ATOM 905 CG GLU A 57 6.801 -9.399 -11.185 1.00 0.00 C ATOM 906 CD GLU A 57 8.229 -8.873 -10.979 1.00 0.00 C ATOM 907 OE1 GLU A 57 8.876 -9.219 -9.966 1.00 0.00 O ATOM 908 OE2 GLU A 57 8.657 -7.978 -11.750 1.00 0.00 O ATOM 0 H GLU A 57 4.491 -7.238 -8.991 1.00 0.00 H new ATOM 0 HA GLU A 57 4.273 -8.271 -11.627 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.263 -7.609 -10.160 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.975 -9.076 -9.247 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.753 -10.468 -10.979 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.487 -9.259 -12.219 1.00 0.00 H new ATOM 915 N TYR A 58 3.168 -10.293 -9.301 1.00 0.00 N ATOM 916 CA TYR A 58 2.250 -11.423 -9.132 1.00 0.00 C ATOM 917 C TYR A 58 0.913 -11.176 -9.844 1.00 0.00 C ATOM 918 O TYR A 58 0.437 -12.032 -10.591 1.00 0.00 O ATOM 919 CB TYR A 58 2.029 -11.713 -7.638 1.00 0.00 C ATOM 920 CG TYR A 58 1.540 -13.118 -7.354 1.00 0.00 C ATOM 921 CD1 TYR A 58 0.169 -13.431 -7.433 1.00 0.00 C ATOM 922 CD2 TYR A 58 2.473 -14.111 -7.001 1.00 0.00 C ATOM 923 CE1 TYR A 58 -0.264 -14.744 -7.164 1.00 0.00 C ATOM 924 CE2 TYR A 58 2.046 -15.427 -6.743 1.00 0.00 C ATOM 925 CZ TYR A 58 0.672 -15.745 -6.828 1.00 0.00 C ATOM 926 OH TYR A 58 0.241 -17.011 -6.587 1.00 0.00 O ATOM 0 H TYR A 58 3.407 -9.832 -8.423 1.00 0.00 H new ATOM 0 HA TYR A 58 2.707 -12.298 -9.594 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.965 -11.549 -7.103 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.306 -11.000 -7.242 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.547 -12.668 -7.699 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.521 -13.862 -6.928 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.315 -14.985 -7.215 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.765 -16.190 -6.481 1.00 0.00 H new ATOM 0 HH TYR A 58 1.008 -17.582 -6.370 1.00 0.00 H new ATOM 936 N TYR A 59 0.292 -10.005 -9.647 1.00 0.00 N ATOM 937 CA TYR A 59 -0.984 -9.680 -10.297 1.00 0.00 C ATOM 938 C TYR A 59 -0.872 -9.540 -11.819 1.00 0.00 C ATOM 939 O TYR A 59 -1.829 -9.881 -12.520 1.00 0.00 O ATOM 940 CB TYR A 59 -1.599 -8.426 -9.668 1.00 0.00 C ATOM 941 CG TYR A 59 -1.809 -8.585 -8.175 1.00 0.00 C ATOM 942 CD1 TYR A 59 -2.598 -9.636 -7.661 1.00 0.00 C ATOM 943 CD2 TYR A 59 -1.150 -7.719 -7.292 1.00 0.00 C ATOM 944 CE1 TYR A 59 -2.720 -9.816 -6.271 1.00 0.00 C ATOM 945 CE2 TYR A 59 -1.267 -7.893 -5.905 1.00 0.00 C ATOM 946 CZ TYR A 59 -2.051 -8.945 -5.383 1.00 0.00 C ATOM 947 OH TYR A 59 -2.196 -9.104 -4.039 1.00 0.00 O ATOM 0 H TYR A 59 0.653 -9.267 -9.042 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.649 -10.527 -10.125 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.949 -7.571 -9.854 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.554 -8.211 -10.148 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.110 -10.305 -8.337 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.548 -6.912 -7.682 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.326 -10.621 -5.883 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.755 -7.219 -5.234 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.041 -8.247 -3.590 1.00 0.00 H new ATOM 957 N ALA A 60 0.290 -9.100 -12.313 1.00 0.00 N ATOM 958 CA ALA A 60 0.684 -9.176 -13.713 1.00 0.00 C ATOM 959 C ALA A 60 0.860 -10.635 -14.191 1.00 0.00 C ATOM 960 O ALA A 60 0.315 -11.028 -15.226 1.00 0.00 O ATOM 961 CB ALA A 60 1.967 -8.365 -13.895 1.00 0.00 C ATOM 0 H ALA A 60 1.002 -8.668 -11.725 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.109 -8.756 -14.332 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.280 -8.409 -14.938 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.785 -7.328 -13.614 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.752 -8.780 -13.263 1.00 0.00 H new ATOM 967 N MET A 61 1.597 -11.456 -13.430 1.00 0.00 N ATOM 968 CA MET A 61 1.807 -12.883 -13.698 1.00 0.00 C ATOM 969 C MET A 61 0.488 -13.657 -13.811 1.00 0.00 C ATOM 970 O MET A 61 0.374 -14.490 -14.708 1.00 0.00 O ATOM 971 CB MET A 61 2.753 -13.466 -12.633 1.00 0.00 C ATOM 972 CG MET A 61 2.989 -14.984 -12.706 1.00 0.00 C ATOM 973 SD MET A 61 1.657 -16.076 -12.111 1.00 0.00 S ATOM 974 CE MET A 61 1.527 -15.580 -10.369 1.00 0.00 C ATOM 0 H MET A 61 2.076 -11.136 -12.588 1.00 0.00 H new ATOM 0 HA MET A 61 2.280 -12.992 -14.674 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.717 -12.963 -12.716 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.352 -13.227 -11.648 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.196 -15.242 -13.745 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.890 -15.212 -12.136 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.955 -16.328 -9.819 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.525 -15.498 -9.939 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.022 -14.616 -10.302 1.00 0.00 H new ATOM 984 N LEU A 62 -0.508 -13.393 -12.950 1.00 0.00 N ATOM 985 CA LEU A 62 -1.823 -14.051 -12.976 1.00 0.00 C ATOM 986 C LEU A 62 -2.555 -13.853 -14.320 1.00 0.00 C ATOM 987 O LEU A 62 -2.586 -14.762 -15.158 1.00 0.00 O ATOM 988 CB LEU A 62 -2.686 -13.561 -11.794 1.00 0.00 C ATOM 989 CG LEU A 62 -2.295 -14.098 -10.405 1.00 0.00 C ATOM 990 CD1 LEU A 62 -3.169 -13.398 -9.359 1.00 0.00 C ATOM 991 CD2 LEU A 62 -2.507 -15.609 -10.279 1.00 0.00 C ATOM 0 H LEU A 62 -0.420 -12.704 -12.203 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.656 -15.123 -12.871 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.644 -12.472 -11.766 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.723 -13.835 -11.989 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.234 -13.898 -10.254 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.910 -13.763 -8.365 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.001 -12.322 -9.406 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.219 -13.610 -9.561 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.216 -15.935 -9.281 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.558 -15.844 -10.445 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.898 -16.125 -11.021 1.00 0.00 H new ATOM 1003 N SER A 63 -3.162 -12.679 -14.523 1.00 0.00 N ATOM 1004 CA SER A 63 -3.901 -12.312 -15.735 1.00 0.00 C ATOM 1005 C SER A 63 -2.914 -11.882 -16.820 1.00 0.00 C ATOM 1006 O SER A 63 -2.746 -10.695 -17.080 1.00 0.00 O ATOM 1007 CB SER A 63 -4.952 -11.231 -15.429 1.00 0.00 C ATOM 1008 OG SER A 63 -4.453 -10.218 -14.569 1.00 0.00 O ATOM 0 H SER A 63 -3.152 -11.934 -13.826 1.00 0.00 H new ATOM 0 HA SER A 63 -4.451 -13.177 -16.107 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.286 -10.779 -16.363 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.824 -11.696 -14.970 1.00 0.00 H new ATOM 0 HG SER A 63 -4.569 -9.342 -14.993 1.00 0.00 H new ATOM 1014 N LYS A 64 -2.273 -12.865 -17.467 1.00 0.00 N ATOM 1015 CA LYS A 64 -0.947 -12.796 -18.112 1.00 0.00 C ATOM 1016 C LYS A 64 -0.661 -11.431 -18.761 1.00 0.00 C ATOM 1017 O LYS A 64 -1.191 -11.096 -19.824 1.00 0.00 O ATOM 1018 CB LYS A 64 -0.829 -13.941 -19.142 1.00 0.00 C ATOM 1019 CG LYS A 64 -0.989 -15.356 -18.554 1.00 0.00 C ATOM 1020 CD LYS A 64 0.263 -15.849 -17.816 1.00 0.00 C ATOM 1021 CE LYS A 64 -0.037 -17.089 -16.965 1.00 0.00 C ATOM 1022 NZ LYS A 64 -0.713 -16.732 -15.694 1.00 0.00 N ATOM 0 H LYS A 64 -2.691 -13.791 -17.562 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.190 -12.914 -17.336 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.584 -13.796 -19.914 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.143 -13.873 -19.630 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.835 -15.363 -17.866 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.226 -16.052 -19.358 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.044 -16.083 -18.539 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.647 -15.053 -17.178 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.666 -17.775 -17.531 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.893 -17.615 -16.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.945 -17.599 -15.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.081 -16.138 -15.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.587 -16.208 -15.901 1.00 0.00 H new ATOM 1036 N THR A 65 0.116 -10.618 -18.042 1.00 0.00 N ATOM 1037 CA THR A 65 0.324 -9.176 -18.230 1.00 0.00 C ATOM 1038 C THR A 65 1.810 -8.843 -18.071 1.00 0.00 C ATOM 1039 O THR A 65 2.486 -9.464 -17.251 1.00 0.00 O ATOM 1040 CB THR A 65 -0.515 -8.443 -17.165 1.00 0.00 C ATOM 1041 OG1 THR A 65 -1.868 -8.435 -17.546 1.00 0.00 O ATOM 1042 CG2 THR A 65 -0.106 -7.021 -16.803 1.00 0.00 C ATOM 0 H THR A 65 0.657 -10.974 -17.254 1.00 0.00 H new ATOM 0 HA THR A 65 0.016 -8.864 -19.228 1.00 0.00 H new ATOM 0 HB THR A 65 -0.328 -9.022 -16.261 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.118 -9.320 -17.884 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.783 -6.630 -16.043 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.913 -7.023 -16.415 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.155 -6.391 -17.691 1.00 0.00 H new ATOM 1050 N LYS A 66 2.325 -7.855 -18.822 1.00 0.00 N ATOM 1051 CA LYS A 66 3.732 -7.441 -18.703 1.00 0.00 C ATOM 1052 C LYS A 66 3.905 -6.377 -17.609 1.00 0.00 C ATOM 1053 O LYS A 66 2.986 -5.607 -17.331 1.00 0.00 O ATOM 1054 CB LYS A 66 4.252 -6.908 -20.050 1.00 0.00 C ATOM 1055 CG LYS A 66 5.772 -7.121 -20.193 1.00 0.00 C ATOM 1056 CD LYS A 66 6.433 -6.197 -21.226 1.00 0.00 C ATOM 1057 CE LYS A 66 7.638 -6.871 -21.898 1.00 0.00 C ATOM 1058 NZ LYS A 66 7.197 -7.820 -22.949 1.00 0.00 N ATOM 0 H LYS A 66 1.790 -7.331 -19.515 1.00 0.00 H new ATOM 0 HA LYS A 66 4.317 -8.317 -18.421 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.735 -7.412 -20.866 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.023 -5.846 -20.135 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.244 -6.963 -19.223 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.959 -8.157 -20.474 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.702 -5.917 -21.985 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.755 -5.277 -20.739 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.286 -6.112 -22.337 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.228 -7.400 -21.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.029 -8.263 -23.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.598 -8.556 -22.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.654 -7.308 -23.673 1.00 0.00 H new ATOM 1072 N VAL A 67 5.116 -6.295 -17.050 1.00 0.00 N ATOM 1073 CA VAL A 67 5.536 -5.320 -16.039 1.00 0.00 C ATOM 1074 C VAL A 67 6.582 -4.376 -16.622 1.00 0.00 C ATOM 1075 O VAL A 67 7.725 -4.768 -16.855 1.00 0.00 O ATOM 1076 CB VAL A 67 6.080 -6.016 -14.778 1.00 0.00 C ATOM 1077 CG1 VAL A 67 6.313 -4.989 -13.665 1.00 0.00 C ATOM 1078 CG2 VAL A 67 5.091 -7.061 -14.266 1.00 0.00 C ATOM 0 H VAL A 67 5.867 -6.938 -17.302 1.00 0.00 H new ATOM 0 HA VAL A 67 4.661 -4.741 -15.745 1.00 0.00 H new ATOM 0 HB VAL A 67 7.019 -6.500 -15.046 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.698 -5.494 -12.779 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.036 -4.245 -14.001 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.372 -4.496 -13.422 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.496 -7.540 -13.375 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.146 -6.577 -14.020 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.924 -7.813 -15.037 1.00 0.00 H new ATOM 1088 N TYR A 68 6.183 -3.129 -16.864 1.00 0.00 N ATOM 1089 CA TYR A 68 7.063 -2.080 -17.370 1.00 0.00 C ATOM 1090 C TYR A 68 7.614 -1.227 -16.217 1.00 0.00 C ATOM 1091 O TYR A 68 6.931 -0.356 -15.664 1.00 0.00 O ATOM 1092 CB TYR A 68 6.340 -1.257 -18.438 1.00 0.00 C ATOM 1093 CG TYR A 68 7.282 -0.387 -19.243 1.00 0.00 C ATOM 1094 CD1 TYR A 68 7.977 -0.937 -20.339 1.00 0.00 C ATOM 1095 CD2 TYR A 68 7.506 0.949 -18.868 1.00 0.00 C ATOM 1096 CE1 TYR A 68 8.909 -0.159 -21.050 1.00 0.00 C ATOM 1097 CE2 TYR A 68 8.442 1.732 -19.571 1.00 0.00 C ATOM 1098 CZ TYR A 68 9.149 1.178 -20.660 1.00 0.00 C ATOM 1099 OH TYR A 68 10.055 1.936 -21.336 1.00 0.00 O ATOM 0 H TYR A 68 5.225 -2.815 -16.711 1.00 0.00 H new ATOM 0 HA TYR A 68 7.929 -2.533 -17.852 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.809 -1.930 -19.111 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.590 -0.627 -17.959 1.00 0.00 H new ATOM 0 HD1 TYR A 68 7.793 -1.960 -20.634 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.960 1.376 -18.040 1.00 0.00 H new ATOM 0 HE1 TYR A 68 9.439 -0.582 -21.891 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.619 2.756 -19.277 1.00 0.00 H new ATOM 0 HH TYR A 68 10.093 1.644 -22.271 1.00 0.00 H new ATOM 1109 N TYR A 69 8.868 -1.499 -15.848 1.00 0.00 N ATOM 1110 CA TYR A 69 9.596 -0.778 -14.808 1.00 0.00 C ATOM 1111 C TYR A 69 10.104 0.564 -15.338 1.00 0.00 C ATOM 1112 O TYR A 69 11.027 0.626 -16.148 1.00 0.00 O ATOM 1113 CB TYR A 69 10.746 -1.642 -14.277 1.00 0.00 C ATOM 1114 CG TYR A 69 10.249 -2.759 -13.385 1.00 0.00 C ATOM 1115 CD1 TYR A 69 9.746 -2.433 -12.112 1.00 0.00 C ATOM 1116 CD2 TYR A 69 10.231 -4.095 -13.834 1.00 0.00 C ATOM 1117 CE1 TYR A 69 9.207 -3.437 -11.296 1.00 0.00 C ATOM 1118 CE2 TYR A 69 9.693 -5.107 -13.015 1.00 0.00 C ATOM 1119 CZ TYR A 69 9.169 -4.773 -11.748 1.00 0.00 C ATOM 1120 OH TYR A 69 8.635 -5.733 -10.950 1.00 0.00 O ATOM 0 H TYR A 69 9.416 -2.245 -16.276 1.00 0.00 H new ATOM 0 HA TYR A 69 8.918 -0.569 -13.980 1.00 0.00 H new ATOM 0 HB2 TYR A 69 11.298 -2.066 -15.116 1.00 0.00 H new ATOM 0 HB3 TYR A 69 11.443 -1.016 -13.720 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.775 -1.411 -11.764 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.630 -4.343 -14.807 1.00 0.00 H new ATOM 0 HE1 TYR A 69 8.820 -3.187 -10.319 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.682 -6.132 -13.355 1.00 0.00 H new ATOM 0 HH TYR A 69 8.266 -6.452 -11.505 1.00 0.00 H new ATOM 1130 N PHE A 70 9.480 1.640 -14.856 1.00 0.00 N ATOM 1131 CA PHE A 70 9.723 3.028 -15.249 1.00 0.00 C ATOM 1132 C PHE A 70 10.088 3.884 -14.009 1.00 0.00 C ATOM 1133 O PHE A 70 10.211 5.100 -14.088 1.00 0.00 O ATOM 1134 CB PHE A 70 8.494 3.465 -16.081 1.00 0.00 C ATOM 1135 CG PHE A 70 8.431 4.848 -16.727 1.00 0.00 C ATOM 1136 CD1 PHE A 70 9.553 5.694 -16.822 1.00 0.00 C ATOM 1137 CD2 PHE A 70 7.211 5.277 -17.286 1.00 0.00 C ATOM 1138 CE1 PHE A 70 9.429 6.991 -17.352 1.00 0.00 C ATOM 1139 CE2 PHE A 70 7.104 6.546 -17.886 1.00 0.00 C ATOM 1140 CZ PHE A 70 8.206 7.415 -17.897 1.00 0.00 C ATOM 0 H PHE A 70 8.754 1.562 -14.144 1.00 0.00 H new ATOM 0 HA PHE A 70 10.596 3.165 -15.888 1.00 0.00 H new ATOM 0 HB2 PHE A 70 8.374 2.734 -16.880 1.00 0.00 H new ATOM 0 HB3 PHE A 70 7.622 3.376 -15.433 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.517 5.344 -16.485 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.350 4.626 -17.254 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.275 7.662 -17.340 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.172 6.851 -18.339 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.114 8.404 -18.322 1.00 0.00 H new ATOM 1224 N LEU A 77 5.388 10.225 -16.117 1.00 0.00 N ATOM 1225 CA LEU A 77 4.160 9.490 -16.424 1.00 0.00 C ATOM 1226 C LEU A 77 2.877 10.195 -15.942 1.00 0.00 C ATOM 1227 O LEU A 77 1.811 9.966 -16.514 1.00 0.00 O ATOM 1228 CB LEU A 77 4.305 8.097 -15.791 1.00 0.00 C ATOM 1229 CG LEU A 77 3.208 7.081 -16.159 1.00 0.00 C ATOM 1230 CD1 LEU A 77 3.258 6.634 -17.623 1.00 0.00 C ATOM 1231 CD2 LEU A 77 3.410 5.854 -15.278 1.00 0.00 C ATOM 0 HA LEU A 77 4.043 9.428 -17.506 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.270 7.684 -16.083 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.321 8.210 -14.707 1.00 0.00 H new ATOM 0 HG LEU A 77 2.242 7.562 -16.006 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.458 5.919 -17.813 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.132 7.500 -18.272 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.220 6.164 -17.827 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.649 5.110 -15.511 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.398 5.432 -15.462 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.328 6.141 -14.230 1.00 0.00 H new ATOM 1243 N GLY A 78 2.969 11.102 -14.956 1.00 0.00 N ATOM 1244 CA GLY A 78 1.880 12.017 -14.592 1.00 0.00 C ATOM 1245 C GLY A 78 1.361 12.848 -15.767 1.00 0.00 C ATOM 1246 O GLY A 78 0.186 13.214 -15.770 1.00 0.00 O ATOM 0 H GLY A 78 3.807 11.220 -14.387 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.056 11.439 -14.174 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.228 12.689 -13.808 1.00 0.00 H new ATOM 1250 N THR A 79 2.192 13.067 -16.792 1.00 0.00 N ATOM 1251 CA THR A 79 1.807 13.650 -18.083 1.00 0.00 C ATOM 1252 C THR A 79 0.823 12.741 -18.824 1.00 0.00 C ATOM 1253 O THR A 79 -0.206 13.217 -19.296 1.00 0.00 O ATOM 1254 CB THR A 79 3.030 13.896 -18.992 1.00 0.00 C ATOM 1255 OG1 THR A 79 4.145 14.352 -18.263 1.00 0.00 O ATOM 1256 CG2 THR A 79 2.729 14.933 -20.074 1.00 0.00 C ATOM 0 H THR A 79 3.184 12.836 -16.745 1.00 0.00 H new ATOM 0 HA THR A 79 1.333 14.606 -17.861 1.00 0.00 H new ATOM 0 HB THR A 79 3.256 12.932 -19.448 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.899 14.494 -18.873 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.614 15.079 -20.694 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.905 14.582 -20.695 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.454 15.878 -19.606 1.00 0.00 H new ATOM 1264 N ALA A 80 1.116 11.435 -18.912 1.00 0.00 N ATOM 1265 CA ALA A 80 0.307 10.471 -19.650 1.00 0.00 C ATOM 1266 C ALA A 80 -1.062 10.224 -19.018 1.00 0.00 C ATOM 1267 O ALA A 80 -2.056 10.079 -19.727 1.00 0.00 O ATOM 1268 CB ALA A 80 1.061 9.141 -19.762 1.00 0.00 C ATOM 0 H ALA A 80 1.933 11.020 -18.465 1.00 0.00 H new ATOM 0 HA ALA A 80 0.132 10.900 -20.636 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.453 8.424 -20.314 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.002 9.300 -20.288 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.264 8.753 -18.764 1.00 0.00 H new ATOM 1274 N VAL A 81 -1.101 10.161 -17.683 1.00 0.00 N ATOM 1275 CA VAL A 81 -2.339 9.929 -16.932 1.00 0.00 C ATOM 1276 C VAL A 81 -3.067 11.229 -16.573 1.00 0.00 C ATOM 1277 O VAL A 81 -4.232 11.187 -16.173 1.00 0.00 O ATOM 1278 CB VAL A 81 -2.068 9.077 -15.681 1.00 0.00 C ATOM 1279 CG1 VAL A 81 -1.392 7.751 -16.050 1.00 0.00 C ATOM 1280 CG2 VAL A 81 -1.181 9.768 -14.643 1.00 0.00 C ATOM 0 H VAL A 81 -0.276 10.269 -17.093 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.008 9.374 -17.589 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.052 8.913 -15.243 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.213 7.170 -15.145 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.040 7.187 -16.721 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.442 7.952 -16.546 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.035 9.105 -13.790 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.215 10.003 -15.089 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.661 10.688 -14.309 1.00 0.00 H new ATOM 1405 N VAL A 89 2.260 4.383 -10.441 1.00 0.00 N ATOM 1406 CA VAL A 89 1.710 3.040 -10.645 1.00 0.00 C ATOM 1407 C VAL A 89 0.412 3.142 -11.455 1.00 0.00 C ATOM 1408 O VAL A 89 -0.574 3.753 -11.031 1.00 0.00 O ATOM 1409 CB VAL A 89 1.585 2.258 -9.328 1.00 0.00 C ATOM 1410 CG1 VAL A 89 0.531 2.793 -8.358 1.00 0.00 C ATOM 1411 CG2 VAL A 89 1.261 0.792 -9.628 1.00 0.00 C ATOM 0 HA VAL A 89 2.406 2.443 -11.234 1.00 0.00 H new ATOM 0 HB VAL A 89 2.550 2.374 -8.835 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.517 2.176 -7.459 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.773 3.821 -8.089 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.449 2.763 -8.833 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.173 0.240 -8.692 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.320 0.732 -10.175 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.059 0.359 -10.231 1.00 0.00 H new ATOM 1421 N VAL A 90 0.462 2.581 -12.664 1.00 0.00 N ATOM 1422 CA VAL A 90 -0.578 2.665 -13.699 1.00 0.00 C ATOM 1423 C VAL A 90 -0.759 1.269 -14.286 1.00 0.00 C ATOM 1424 O VAL A 90 0.136 0.422 -14.203 1.00 0.00 O ATOM 1425 CB VAL A 90 -0.174 3.676 -14.802 1.00 0.00 C ATOM 1426 CG1 VAL A 90 -1.272 3.936 -15.848 1.00 0.00 C ATOM 1427 CG2 VAL A 90 0.278 5.018 -14.208 1.00 0.00 C ATOM 0 H VAL A 90 1.265 2.029 -12.966 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.514 3.018 -13.267 1.00 0.00 H new ATOM 0 HB VAL A 90 0.660 3.197 -15.315 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.911 4.654 -16.584 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.527 3.001 -16.348 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.157 4.337 -15.354 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.553 5.699 -15.014 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.537 5.452 -13.628 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.139 4.857 -13.560 1.00 0.00 H new ATOM 1437 N SER A 91 -1.904 0.965 -14.890 1.00 0.00 N ATOM 1438 CA SER A 91 -2.030 -0.253 -15.694 1.00 0.00 C ATOM 1439 C SER A 91 -3.055 -0.076 -16.804 1.00 0.00 C ATOM 1440 O SER A 91 -3.993 0.706 -16.661 1.00 0.00 O ATOM 1441 CB SER A 91 -2.393 -1.438 -14.795 1.00 0.00 C ATOM 1442 OG SER A 91 -1.525 -1.517 -13.673 1.00 0.00 O ATOM 0 H SER A 91 -2.749 1.534 -14.842 1.00 0.00 H new ATOM 0 HA SER A 91 -1.069 -0.456 -16.167 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.423 -1.337 -14.454 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.336 -2.363 -15.368 1.00 0.00 H new ATOM 0 HG SER A 91 -0.666 -1.100 -13.894 1.00 0.00 H new ATOM 1448 N ILE A 92 -2.874 -0.824 -17.895 1.00 0.00 N ATOM 1449 CA ILE A 92 -3.698 -0.809 -19.099 1.00 0.00 C ATOM 1450 C ILE A 92 -4.254 -2.220 -19.333 1.00 0.00 C ATOM 1451 O ILE A 92 -3.550 -3.236 -19.234 1.00 0.00 O ATOM 1452 CB ILE A 92 -2.915 -0.299 -20.332 1.00 0.00 C ATOM 1453 CG1 ILE A 92 -2.048 0.962 -20.090 1.00 0.00 C ATOM 1454 CG2 ILE A 92 -3.891 -0.033 -21.492 1.00 0.00 C ATOM 1455 CD1 ILE A 92 -2.821 2.231 -19.722 1.00 0.00 C ATOM 0 H ILE A 92 -2.106 -1.492 -17.962 1.00 0.00 H new ATOM 0 HA ILE A 92 -4.522 -0.111 -18.954 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.211 -1.095 -20.574 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.338 0.746 -19.292 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.466 1.160 -20.990 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.336 0.326 -22.359 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.410 -0.956 -21.750 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.619 0.720 -21.190 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.121 3.053 -19.574 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.512 2.482 -20.527 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.381 2.062 -18.802 1.00 0.00 H new ATOM 1467 N LEU A 93 -5.551 -2.254 -19.633 1.00 0.00 N ATOM 1468 CA LEU A 93 -6.352 -3.456 -19.778 1.00 0.00 C ATOM 1469 C LEU A 93 -6.707 -3.650 -21.255 1.00 0.00 C ATOM 1470 O LEU A 93 -6.181 -4.545 -21.913 1.00 0.00 O ATOM 1471 CB LEU A 93 -7.578 -3.370 -18.840 1.00 0.00 C ATOM 1472 CG LEU A 93 -7.229 -3.213 -17.339 1.00 0.00 C ATOM 1473 CD1 LEU A 93 -7.140 -1.750 -16.877 1.00 0.00 C ATOM 1474 CD2 LEU A 93 -8.302 -3.883 -16.480 1.00 0.00 C ATOM 0 H LEU A 93 -6.091 -1.403 -19.788 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.797 -4.344 -19.475 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.196 -2.526 -19.147 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.181 -4.269 -18.968 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.250 -3.677 -17.219 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.892 -1.718 -15.816 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.366 -1.235 -17.446 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.099 -1.258 -17.041 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.049 -3.768 -15.426 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.268 -3.416 -16.674 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.356 -4.943 -16.726 1.00 0.00 H new ATOM 1486 N GLU A 94 -7.539 -2.754 -21.795 1.00 0.00 N ATOM 1487 CA GLU A 94 -8.014 -2.802 -23.176 1.00 0.00 C ATOM 1488 C GLU A 94 -7.680 -1.494 -23.894 1.00 0.00 C ATOM 1489 O GLU A 94 -8.473 -0.546 -23.901 1.00 0.00 O ATOM 1490 CB GLU A 94 -9.515 -3.131 -23.234 1.00 0.00 C ATOM 1491 CG GLU A 94 -9.842 -4.511 -22.646 1.00 0.00 C ATOM 1492 CD GLU A 94 -11.289 -4.920 -22.937 1.00 0.00 C ATOM 1493 OE1 GLU A 94 -12.189 -4.068 -22.751 1.00 0.00 O ATOM 1494 OE2 GLU A 94 -11.491 -6.087 -23.347 1.00 0.00 O ATOM 0 H GLU A 94 -7.907 -1.960 -21.271 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.498 -3.607 -23.699 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -10.071 -2.368 -22.690 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.851 -3.093 -24.270 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -9.162 -5.255 -23.062 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.677 -4.496 -21.569 1.00 0.00 H new ATOM 1501 N ALA A 95 -6.493 -1.444 -24.508 1.00 0.00 N ATOM 1502 CA ALA A 95 -6.083 -0.357 -25.394 1.00 0.00 C ATOM 1503 C ALA A 95 -6.820 -0.413 -26.746 1.00 0.00 C ATOM 1504 O ALA A 95 -6.211 -0.588 -27.799 1.00 0.00 O ATOM 1505 CB ALA A 95 -4.560 -0.331 -25.556 1.00 0.00 C ATOM 0 H ALA A 95 -5.783 -2.168 -24.400 1.00 0.00 H new ATOM 0 HA ALA A 95 -6.373 0.585 -24.929 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.279 0.486 -26.220 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.093 -0.185 -24.582 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.223 -1.276 -25.982 1.00 0.00 H new ATOM 1511 N GLY A 96 -8.144 -0.220 -26.726 1.00 0.00 N ATOM 1512 CA GLY A 96 -8.997 -0.107 -27.916 1.00 0.00 C ATOM 1513 C GLY A 96 -8.808 1.219 -28.665 1.00 0.00 C ATOM 1514 O GLY A 96 -9.791 1.861 -29.023 1.00 0.00 O ATOM 0 H GLY A 96 -8.668 -0.136 -25.855 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -8.780 -0.934 -28.592 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.041 -0.204 -27.619 1.00 0.00 H new ATOM 1518 N ASP A 97 -7.553 1.644 -28.845 1.00 0.00 N ATOM 1519 CA ASP A 97 -7.166 2.981 -29.290 1.00 0.00 C ATOM 1520 C ASP A 97 -5.900 2.901 -30.168 1.00 0.00 C ATOM 1521 O ASP A 97 -6.013 2.790 -31.385 1.00 0.00 O ATOM 1522 CB ASP A 97 -7.018 3.869 -28.040 1.00 0.00 C ATOM 1523 CG ASP A 97 -7.022 5.353 -28.381 1.00 0.00 C ATOM 1524 OD1 ASP A 97 -6.187 5.795 -29.198 1.00 0.00 O ATOM 1525 OD2 ASP A 97 -7.881 6.085 -27.824 1.00 0.00 O ATOM 0 H ASP A 97 -6.749 1.039 -28.677 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.925 3.435 -29.927 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.832 3.656 -27.347 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.089 3.619 -27.527 1.00 0.00 H new ATOM 1530 N SER A 98 -4.703 2.877 -29.559 1.00 0.00 N ATOM 1531 CA SER A 98 -3.463 2.411 -30.189 1.00 0.00 C ATOM 1532 C SER A 98 -3.019 1.059 -29.623 1.00 0.00 C ATOM 1533 O SER A 98 -3.187 0.720 -28.456 1.00 0.00 O ATOM 1534 CB SER A 98 -2.367 3.493 -30.131 1.00 0.00 C ATOM 1535 OG SER A 98 -1.028 3.044 -30.354 1.00 0.00 O ATOM 0 H SER A 98 -4.571 3.188 -28.596 1.00 0.00 H new ATOM 0 HA SER A 98 -3.660 2.238 -31.247 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.600 4.258 -30.872 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.410 3.973 -29.153 1.00 0.00 H new ATOM 0 HG SER A 98 -0.951 2.681 -31.261 1.00 0.00 H new ATOM 1541 N ASP A 99 -2.312 0.357 -30.494 1.00 0.00 N ATOM 1542 CA ASP A 99 -1.625 -0.925 -30.490 1.00 0.00 C ATOM 1543 C ASP A 99 -0.618 -1.187 -29.346 1.00 0.00 C ATOM 1544 O ASP A 99 0.129 -2.160 -29.446 1.00 0.00 O ATOM 1545 CB ASP A 99 -0.881 -0.919 -31.849 1.00 0.00 C ATOM 1546 CG ASP A 99 0.024 0.322 -31.982 1.00 0.00 C ATOM 1547 OD1 ASP A 99 -0.517 1.452 -32.129 1.00 0.00 O ATOM 1548 OD2 ASP A 99 1.249 0.213 -31.768 1.00 0.00 O ATOM 0 H ASP A 99 -2.185 0.772 -31.417 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.356 -1.719 -30.335 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -0.279 -1.823 -31.941 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -1.605 -0.934 -32.663 1.00 0.00 H new ATOM 1553 N ILE A 100 -0.557 -0.379 -28.275 1.00 0.00 N ATOM 1554 CA ILE A 100 0.526 -0.443 -27.271 1.00 0.00 C ATOM 1555 C ILE A 100 0.745 -1.862 -26.715 1.00 0.00 C ATOM 1556 O ILE A 100 1.848 -2.394 -26.814 1.00 0.00 O ATOM 1557 CB ILE A 100 0.366 0.651 -26.181 1.00 0.00 C ATOM 1558 CG1 ILE A 100 1.730 0.955 -25.528 1.00 0.00 C ATOM 1559 CG2 ILE A 100 -0.663 0.295 -25.091 1.00 0.00 C ATOM 1560 CD1 ILE A 100 1.740 2.196 -24.627 1.00 0.00 C ATOM 0 H ILE A 100 -1.255 0.338 -28.078 1.00 0.00 H new ATOM 0 HA ILE A 100 1.458 -0.210 -27.787 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.016 1.534 -26.694 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.037 0.091 -24.939 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.474 1.086 -26.314 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.720 1.106 -24.365 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.641 0.148 -25.548 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -0.357 -0.622 -24.587 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.737 2.335 -24.210 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.466 3.073 -25.213 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.023 2.063 -23.817 1.00 0.00 H new ATOM 1572 N LEU A 101 -0.312 -2.520 -26.223 1.00 0.00 N ATOM 1573 CA LEU A 101 -0.309 -3.910 -25.747 1.00 0.00 C ATOM 1574 C LEU A 101 -0.096 -5.001 -26.821 1.00 0.00 C ATOM 1575 O LEU A 101 -0.158 -6.184 -26.496 1.00 0.00 O ATOM 1576 CB LEU A 101 -1.454 -4.204 -24.753 1.00 0.00 C ATOM 1577 CG LEU A 101 -2.781 -3.439 -24.898 1.00 0.00 C ATOM 1578 CD1 LEU A 101 -4.038 -4.292 -25.053 1.00 0.00 C ATOM 1579 CD2 LEU A 101 -2.923 -2.611 -23.621 1.00 0.00 C ATOM 0 H LEU A 101 -1.229 -2.082 -26.142 1.00 0.00 H new ATOM 0 HA LEU A 101 0.615 -3.986 -25.174 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -1.679 -5.269 -24.816 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -1.074 -4.017 -23.749 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.721 -2.865 -25.823 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.909 -3.643 -25.146 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.950 -4.911 -25.945 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.154 -4.931 -24.178 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.851 -2.040 -23.659 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.941 -3.275 -22.757 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.079 -1.927 -23.535 1.00 0.00 H new