USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 846 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 37 ASN : amide:sc=-0.00994 X(o=-5.5,f=-5.5) USER MOD Set 1.2: A 77 HIS : no HE2:sc= -1.23 K(o=-5.5,f=-15!) USER MOD Set 1.3: A 81 HIS : no HD1:sc= 1.11 K(o=-5.5,f=-16!) USER MOD Set 1.4: A 100 HIS : no HD1:sc= -0.598 K(o=-5.5,f=-17!) USER MOD Set 1.5: A 107 HIS : no HD1:sc= -4.8! C(o=-5.5!,f=-10!) USER MOD Set 2.1: A 65 GLN : amide:sc= -0.278 K(o=0.05,f=-5.8!) USER MOD Set 2.2: A 69 LYS NZ :NH3+ 178:sc= 0.328 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 159:sc= -0.0667 (180deg=-0.402) USER MOD Single : A 12 GLN : amide:sc= -0.076 K(o=-0.076,f=-0.71) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -169:sc= 0.68 (180deg=0.41) USER MOD Single : A 19 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.098) USER MOD Single : A 23 LYS NZ :NH3+ -120:sc= 1.28 (180deg=0.0559) USER MOD Single : A 24 LYS NZ :NH3+ -165:sc= 1.25 (180deg=1.08) USER MOD Single : A 26 LYS NZ :NH3+ -162:sc= -0.041 (180deg=-0.309) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.0738 X(o=-0.074,f=-0.023) USER MOD Single : A 42 LYS NZ :NH3+ -161:sc= 1.25 (180deg=1.08) USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= 0.428 (180deg=0.224) USER MOD Single : A 46 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.0018) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 69:sc= 0.251 USER MOD Single : A 52 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0654) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -102:sc= 1.2 (180deg=-0.598) USER MOD Single : A 76 LYS NZ :NH3+ -163:sc= -0.0496 (180deg=-0.348) USER MOD Single : A 82 LYS NZ :NH3+ 165:sc= -1.78! (180deg=-2.23!) USER MOD Single : A 92 GLN : amide:sc= -0.0364 K(o=-0.036,f=-1.3) USER MOD Single : A 95 SER OG : rot 79:sc= 0.31 USER MOD Single : A 98 GLN : amide:sc= -1.31! K(o=-1.3!,f=-0.7) USER MOD Single : A 99 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.5) USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 105 N LEU A 7 -10.731 -6.808 -3.631 1.00 0.00 N ATOM 106 CA LEU A 7 -10.105 -6.251 -2.437 1.00 0.00 C ATOM 107 C LEU A 7 -8.600 -6.101 -2.647 1.00 0.00 C ATOM 108 O LEU A 7 -8.014 -5.077 -2.302 1.00 0.00 O ATOM 109 CB LEU A 7 -10.387 -7.139 -1.223 1.00 0.00 C ATOM 110 CG LEU A 7 -11.867 -7.274 -0.847 1.00 0.00 C ATOM 111 CD1 LEU A 7 -12.041 -8.277 0.284 1.00 0.00 C ATOM 112 CD2 LEU A 7 -12.441 -5.922 -0.451 1.00 0.00 C ATOM 0 HA LEU A 7 -10.530 -5.265 -2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.985 -8.133 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.845 -6.739 -0.366 1.00 0.00 H new ATOM 0 HG LEU A 7 -12.411 -7.639 -1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -13.098 -8.360 0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.666 -9.251 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.484 -7.940 1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -13.492 -6.036 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.892 -5.531 0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.350 -5.229 -1.287 1.00 0.00 H new ATOM 124 N LEU A 8 -7.998 -7.125 -3.253 1.00 0.00 N ATOM 125 CA LEU A 8 -6.567 -7.136 -3.555 1.00 0.00 C ATOM 126 C LEU A 8 -6.183 -5.984 -4.470 1.00 0.00 C ATOM 127 O LEU A 8 -5.058 -5.490 -4.422 1.00 0.00 O ATOM 128 CB LEU A 8 -6.169 -8.459 -4.216 1.00 0.00 C ATOM 129 CG LEU A 8 -6.239 -9.691 -3.316 1.00 0.00 C ATOM 130 CD1 LEU A 8 -5.895 -10.940 -4.109 1.00 0.00 C ATOM 131 CD2 LEU A 8 -5.301 -9.536 -2.130 1.00 0.00 C ATOM 0 H LEU A 8 -8.489 -7.969 -3.548 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.035 -7.023 -2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.815 -8.623 -5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.151 -8.364 -4.594 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.256 -9.790 -2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.948 -11.811 -3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.603 -11.057 -4.929 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.886 -10.849 -4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.363 -10.422 -1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.278 -9.416 -2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.588 -8.658 -1.552 1.00 0.00 H new ATOM 143 N LYS A 9 -7.136 -5.559 -5.288 1.00 0.00 N ATOM 144 CA LYS A 9 -6.906 -4.545 -6.307 1.00 0.00 C ATOM 145 C LYS A 9 -6.356 -3.259 -5.698 1.00 0.00 C ATOM 146 O LYS A 9 -5.524 -2.587 -6.303 1.00 0.00 O ATOM 147 CB LYS A 9 -8.224 -4.244 -7.020 1.00 0.00 C ATOM 148 CG LYS A 9 -8.093 -3.316 -8.211 1.00 0.00 C ATOM 149 CD LYS A 9 -9.457 -2.909 -8.736 1.00 0.00 C ATOM 150 CE LYS A 9 -9.354 -2.251 -10.098 1.00 0.00 C ATOM 151 NZ LYS A 9 -8.902 -3.213 -11.136 1.00 0.00 N ATOM 0 H LYS A 9 -8.094 -5.909 -5.263 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.170 -4.928 -7.013 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.666 -5.183 -7.353 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.917 -3.802 -6.305 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.530 -2.428 -7.924 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.528 -3.810 -9.001 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.099 -3.787 -8.803 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.928 -2.222 -8.033 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.324 -1.840 -10.379 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.657 -1.415 -10.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.174 -2.862 -12.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.868 -3.314 -11.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.348 -4.138 -10.970 1.00 0.00 H new ATOM 165 N ALA A 10 -6.804 -2.939 -4.493 1.00 0.00 N ATOM 166 CA ALA A 10 -6.369 -1.727 -3.819 1.00 0.00 C ATOM 167 C ALA A 10 -4.896 -1.814 -3.428 1.00 0.00 C ATOM 168 O ALA A 10 -4.120 -0.892 -3.685 1.00 0.00 O ATOM 169 CB ALA A 10 -7.228 -1.482 -2.594 1.00 0.00 C ATOM 0 H ALA A 10 -7.469 -3.502 -3.963 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.483 -0.890 -4.508 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.897 -0.572 -2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.269 -1.371 -2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.136 -2.326 -1.911 1.00 0.00 H new ATOM 175 N GLU A 11 -4.511 -2.938 -2.832 1.00 0.00 N ATOM 176 CA GLU A 11 -3.131 -3.151 -2.408 1.00 0.00 C ATOM 177 C GLU A 11 -2.224 -3.281 -3.633 1.00 0.00 C ATOM 178 O GLU A 11 -1.114 -2.752 -3.662 1.00 0.00 O ATOM 179 CB GLU A 11 -3.039 -4.410 -1.537 1.00 0.00 C ATOM 180 CG GLU A 11 -1.685 -4.614 -0.868 1.00 0.00 C ATOM 181 CD GLU A 11 -1.432 -3.649 0.278 1.00 0.00 C ATOM 182 OE1 GLU A 11 -1.272 -2.452 0.053 1.00 0.00 O ATOM 183 OE2 GLU A 11 -1.359 -4.080 1.443 1.00 0.00 O ATOM 0 H GLU A 11 -5.137 -3.718 -2.631 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.801 -2.295 -1.819 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.808 -4.361 -0.766 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.261 -5.281 -2.154 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.622 -5.636 -0.494 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.898 -4.498 -1.613 1.00 0.00 H new ATOM 190 N GLN A 12 -2.720 -3.979 -4.654 1.00 0.00 N ATOM 191 CA GLN A 12 -1.984 -4.170 -5.897 1.00 0.00 C ATOM 192 C GLN A 12 -1.753 -2.837 -6.609 1.00 0.00 C ATOM 193 O GLN A 12 -0.681 -2.600 -7.166 1.00 0.00 O ATOM 194 CB GLN A 12 -2.742 -5.137 -6.814 1.00 0.00 C ATOM 195 CG GLN A 12 -2.773 -6.572 -6.307 1.00 0.00 C ATOM 196 CD GLN A 12 -1.401 -7.216 -6.285 1.00 0.00 C ATOM 197 OE1 GLN A 12 -0.536 -6.898 -7.102 1.00 0.00 O ATOM 198 NE2 GLN A 12 -1.194 -8.136 -5.355 1.00 0.00 N ATOM 0 H GLN A 12 -3.638 -4.424 -4.641 1.00 0.00 H new ATOM 0 HA GLN A 12 -1.011 -4.597 -5.655 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.766 -4.782 -6.933 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.282 -5.121 -7.802 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.193 -6.588 -5.301 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.436 -7.162 -6.939 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.936 -8.371 -4.696 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.292 -8.609 -5.297 1.00 0.00 H new ATOM 207 N GLN A 13 -2.760 -1.968 -6.581 1.00 0.00 N ATOM 208 CA GLN A 13 -2.661 -0.659 -7.220 1.00 0.00 C ATOM 209 C GLN A 13 -1.584 0.181 -6.549 1.00 0.00 C ATOM 210 O GLN A 13 -0.813 0.873 -7.221 1.00 0.00 O ATOM 211 CB GLN A 13 -4.008 0.067 -7.167 1.00 0.00 C ATOM 212 CG GLN A 13 -4.027 1.380 -7.935 1.00 0.00 C ATOM 213 CD GLN A 13 -5.411 1.995 -8.009 1.00 0.00 C ATOM 214 OE1 GLN A 13 -6.171 1.736 -8.944 1.00 0.00 O ATOM 215 NE2 GLN A 13 -5.752 2.809 -7.022 1.00 0.00 N ATOM 0 H GLN A 13 -3.654 -2.147 -6.123 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.387 -0.807 -8.264 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.780 -0.589 -7.568 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.265 0.262 -6.126 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.346 2.085 -7.458 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.655 1.211 -8.945 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.094 2.998 -6.266 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.673 3.247 -7.018 1.00 0.00 H new ATOM 224 N GLY A 14 -1.537 0.109 -5.226 1.00 0.00 N ATOM 225 CA GLY A 14 -0.515 0.816 -4.479 1.00 0.00 C ATOM 226 C GLY A 14 0.882 0.389 -4.888 1.00 0.00 C ATOM 227 O GLY A 14 1.749 1.229 -5.137 1.00 0.00 O ATOM 0 H GLY A 14 -2.190 -0.428 -4.655 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.627 1.889 -4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.653 0.634 -3.413 1.00 0.00 H new ATOM 231 N ILE A 15 1.089 -0.922 -4.988 1.00 0.00 N ATOM 232 CA ILE A 15 2.382 -1.473 -5.397 1.00 0.00 C ATOM 233 C ILE A 15 2.721 -1.046 -6.826 1.00 0.00 C ATOM 234 O ILE A 15 3.869 -0.728 -7.136 1.00 0.00 O ATOM 235 CB ILE A 15 2.397 -3.016 -5.299 1.00 0.00 C ATOM 236 CG1 ILE A 15 2.056 -3.463 -3.873 1.00 0.00 C ATOM 237 CG2 ILE A 15 3.758 -3.563 -5.720 1.00 0.00 C ATOM 238 CD1 ILE A 15 1.992 -4.967 -3.705 1.00 0.00 C ATOM 0 H ILE A 15 0.377 -1.625 -4.791 1.00 0.00 H new ATOM 0 HA ILE A 15 3.134 -1.078 -4.714 1.00 0.00 H new ATOM 0 HB ILE A 15 1.641 -3.414 -5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.802 -3.061 -3.188 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.096 -3.033 -3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.752 -4.650 -5.645 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.965 -3.271 -6.750 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.531 -3.159 -5.066 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.746 -5.207 -2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.226 -5.374 -4.364 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.958 -5.403 -3.959 1.00 0.00 H new ATOM 250 N LYS A 16 1.706 -1.038 -7.684 1.00 0.00 N ATOM 251 CA LYS A 16 1.856 -0.605 -9.070 1.00 0.00 C ATOM 252 C LYS A 16 2.415 0.812 -9.133 1.00 0.00 C ATOM 253 O LYS A 16 3.341 1.096 -9.893 1.00 0.00 O ATOM 254 CB LYS A 16 0.498 -0.687 -9.781 1.00 0.00 C ATOM 255 CG LYS A 16 0.469 -0.080 -11.178 1.00 0.00 C ATOM 256 CD LYS A 16 -0.152 1.311 -11.169 1.00 0.00 C ATOM 257 CE LYS A 16 -0.297 1.876 -12.574 1.00 0.00 C ATOM 258 NZ LYS A 16 1.010 2.213 -13.191 1.00 0.00 N ATOM 0 H LYS A 16 0.760 -1.330 -7.440 1.00 0.00 H new ATOM 0 HA LYS A 16 2.562 -1.264 -9.576 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.202 -1.734 -9.849 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.249 -0.184 -9.166 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.483 -0.024 -11.573 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.098 -0.728 -11.846 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.131 1.268 -10.692 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.466 1.981 -10.570 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.815 1.151 -13.202 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.920 2.770 -12.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.852 2.761 -14.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.574 2.777 -12.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.521 1.337 -13.422 1.00 0.00 H new ATOM 272 N ILE A 17 1.851 1.691 -8.317 1.00 0.00 N ATOM 273 CA ILE A 17 2.308 3.074 -8.245 1.00 0.00 C ATOM 274 C ILE A 17 3.727 3.144 -7.683 1.00 0.00 C ATOM 275 O ILE A 17 4.564 3.902 -8.176 1.00 0.00 O ATOM 276 CB ILE A 17 1.362 3.937 -7.382 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.056 3.898 -7.960 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.870 5.371 -7.304 1.00 0.00 C ATOM 279 CD1 ILE A 17 -1.082 4.618 -7.112 1.00 0.00 C ATOM 0 H ILE A 17 1.074 1.472 -7.694 1.00 0.00 H new ATOM 0 HA ILE A 17 2.305 3.472 -9.260 1.00 0.00 H new ATOM 0 HB ILE A 17 1.339 3.529 -6.371 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.045 4.342 -8.955 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.361 2.858 -8.078 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.191 5.965 -6.692 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.864 5.381 -6.857 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.919 5.795 -8.307 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.061 4.547 -7.586 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.123 4.160 -6.124 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.802 5.667 -7.014 1.00 0.00 H new ATOM 291 N LEU A 18 3.995 2.328 -6.668 1.00 0.00 N ATOM 292 CA LEU A 18 5.318 2.266 -6.050 1.00 0.00 C ATOM 293 C LEU A 18 6.392 1.909 -7.082 1.00 0.00 C ATOM 294 O LEU A 18 7.512 2.421 -7.026 1.00 0.00 O ATOM 295 CB LEU A 18 5.330 1.248 -4.905 1.00 0.00 C ATOM 296 CG LEU A 18 4.435 1.592 -3.708 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.454 0.464 -2.688 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.877 2.893 -3.055 1.00 0.00 C ATOM 0 H LEU A 18 3.310 1.697 -6.253 1.00 0.00 H new ATOM 0 HA LEU A 18 5.544 3.253 -5.647 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.023 0.279 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.355 1.138 -4.551 1.00 0.00 H new ATOM 0 HG LEU A 18 3.417 1.719 -4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.814 0.725 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.088 -0.452 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.474 0.310 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.227 3.115 -2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.905 2.794 -2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.817 3.704 -3.781 1.00 0.00 H new ATOM 310 N LYS A 19 6.044 1.032 -8.024 1.00 0.00 N ATOM 311 CA LYS A 19 6.962 0.654 -9.098 1.00 0.00 C ATOM 312 C LYS A 19 7.351 1.868 -9.933 1.00 0.00 C ATOM 313 O LYS A 19 8.525 2.058 -10.262 1.00 0.00 O ATOM 314 CB LYS A 19 6.341 -0.405 -10.014 1.00 0.00 C ATOM 315 CG LYS A 19 6.137 -1.762 -9.362 1.00 0.00 C ATOM 316 CD LYS A 19 7.433 -2.317 -8.791 1.00 0.00 C ATOM 317 CE LYS A 19 7.311 -3.800 -8.477 1.00 0.00 C ATOM 318 NZ LYS A 19 7.309 -4.630 -9.712 1.00 0.00 N ATOM 0 H LYS A 19 5.135 0.571 -8.065 1.00 0.00 H new ATOM 0 HA LYS A 19 7.852 0.238 -8.627 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.378 -0.039 -10.370 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.979 -0.529 -10.889 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.397 -1.675 -8.566 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.735 -2.461 -10.096 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.243 -2.160 -9.503 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.696 -1.772 -7.884 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.138 -4.105 -7.836 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.392 -3.978 -7.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.446 -5.629 -9.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.399 -4.519 -10.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.080 -4.323 -10.338 1.00 0.00 H new ATOM 332 N GLU A 20 6.359 2.689 -10.265 1.00 0.00 N ATOM 333 CA GLU A 20 6.584 3.883 -11.072 1.00 0.00 C ATOM 334 C GLU A 20 7.506 4.860 -10.357 1.00 0.00 C ATOM 335 O GLU A 20 8.295 5.554 -10.995 1.00 0.00 O ATOM 336 CB GLU A 20 5.262 4.571 -11.415 1.00 0.00 C ATOM 337 CG GLU A 20 4.363 3.744 -12.314 1.00 0.00 C ATOM 338 CD GLU A 20 3.159 4.518 -12.814 1.00 0.00 C ATOM 339 OE1 GLU A 20 3.261 5.169 -13.877 1.00 0.00 O ATOM 340 OE2 GLU A 20 2.096 4.456 -12.163 1.00 0.00 O ATOM 0 H GLU A 20 5.388 2.548 -9.986 1.00 0.00 H new ATOM 0 HA GLU A 20 7.063 3.566 -11.998 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.729 4.797 -10.491 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.473 5.523 -11.903 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.940 3.387 -13.167 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.022 2.864 -11.769 1.00 0.00 H new ATOM 347 N VAL A 21 7.410 4.899 -9.032 1.00 0.00 N ATOM 348 CA VAL A 21 8.228 5.801 -8.227 1.00 0.00 C ATOM 349 C VAL A 21 9.711 5.530 -8.449 1.00 0.00 C ATOM 350 O VAL A 21 10.502 6.460 -8.598 1.00 0.00 O ATOM 351 CB VAL A 21 7.909 5.663 -6.720 1.00 0.00 C ATOM 352 CG1 VAL A 21 8.738 6.635 -5.896 1.00 0.00 C ATOM 353 CG2 VAL A 21 6.425 5.873 -6.455 1.00 0.00 C ATOM 0 H VAL A 21 6.772 4.315 -8.491 1.00 0.00 H new ATOM 0 HA VAL A 21 7.991 6.816 -8.545 1.00 0.00 H new ATOM 0 HB VAL A 21 8.170 4.649 -6.418 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.494 6.517 -4.840 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.798 6.430 -6.049 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.518 7.656 -6.207 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.228 5.771 -5.388 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.134 6.871 -6.784 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.848 5.128 -7.004 1.00 0.00 H new ATOM 363 N LEU A 22 10.074 4.253 -8.508 1.00 0.00 N ATOM 364 CA LEU A 22 11.460 3.860 -8.730 1.00 0.00 C ATOM 365 C LEU A 22 11.980 4.435 -10.046 1.00 0.00 C ATOM 366 O LEU A 22 13.115 4.900 -10.128 1.00 0.00 O ATOM 367 CB LEU A 22 11.582 2.335 -8.750 1.00 0.00 C ATOM 368 CG LEU A 22 11.128 1.625 -7.470 1.00 0.00 C ATOM 369 CD1 LEU A 22 11.200 0.116 -7.641 1.00 0.00 C ATOM 370 CD2 LEU A 22 11.975 2.065 -6.285 1.00 0.00 C ATOM 0 H LEU A 22 9.426 3.472 -8.405 1.00 0.00 H new ATOM 0 HA LEU A 22 12.061 4.257 -7.912 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.997 1.951 -9.586 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.622 2.073 -8.942 1.00 0.00 H new ATOM 0 HG LEU A 22 10.092 1.901 -7.276 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.874 -0.370 -6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.551 -0.188 -8.462 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.227 -0.177 -7.862 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.638 1.550 -5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.020 1.819 -6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.875 3.141 -6.146 1.00 0.00 H new ATOM 382 N LYS A 23 11.139 4.398 -11.069 1.00 0.00 N ATOM 383 CA LYS A 23 11.499 4.938 -12.374 1.00 0.00 C ATOM 384 C LYS A 23 11.512 6.464 -12.366 1.00 0.00 C ATOM 385 O LYS A 23 12.453 7.088 -12.850 1.00 0.00 O ATOM 386 CB LYS A 23 10.527 4.441 -13.445 1.00 0.00 C ATOM 387 CG LYS A 23 11.094 3.343 -14.332 1.00 0.00 C ATOM 388 CD LYS A 23 12.329 3.813 -15.092 1.00 0.00 C ATOM 389 CE LYS A 23 12.062 5.106 -15.851 1.00 0.00 C ATOM 390 NZ LYS A 23 13.247 5.552 -16.632 1.00 0.00 N ATOM 0 H LYS A 23 10.201 3.999 -11.022 1.00 0.00 H new ATOM 0 HA LYS A 23 12.505 4.588 -12.605 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.624 4.071 -12.959 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.230 5.283 -14.071 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.350 2.478 -13.721 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.332 3.018 -15.041 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.151 3.964 -14.393 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.643 3.038 -15.791 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.217 4.962 -16.525 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.778 5.887 -15.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.544 6.494 -16.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.026 4.877 -16.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.000 5.598 -17.641 1.00 0.00 H new ATOM 404 N LYS A 24 10.465 7.053 -11.808 1.00 0.00 N ATOM 405 CA LYS A 24 10.279 8.498 -11.846 1.00 0.00 C ATOM 406 C LYS A 24 11.299 9.227 -10.973 1.00 0.00 C ATOM 407 O LYS A 24 11.639 10.382 -11.240 1.00 0.00 O ATOM 408 CB LYS A 24 8.849 8.849 -11.436 1.00 0.00 C ATOM 409 CG LYS A 24 7.810 8.395 -12.450 1.00 0.00 C ATOM 410 CD LYS A 24 6.403 8.738 -12.001 1.00 0.00 C ATOM 411 CE LYS A 24 5.361 8.188 -12.957 1.00 0.00 C ATOM 412 NZ LYS A 24 5.426 8.834 -14.290 1.00 0.00 N ATOM 0 H LYS A 24 9.725 6.549 -11.319 1.00 0.00 H new ATOM 0 HA LYS A 24 10.445 8.834 -12.869 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.631 8.391 -10.471 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.770 9.928 -11.302 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.010 8.866 -13.412 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.893 7.318 -12.599 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.231 8.335 -11.003 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.297 9.821 -11.930 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.505 7.113 -13.069 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.368 8.334 -12.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.557 8.623 -14.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.518 9.863 -14.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.248 8.470 -14.813 1.00 0.00 H new ATOM 426 N ALA A 25 11.794 8.553 -9.942 1.00 0.00 N ATOM 427 CA ALA A 25 12.856 9.109 -9.117 1.00 0.00 C ATOM 428 C ALA A 25 14.130 9.271 -9.941 1.00 0.00 C ATOM 429 O ALA A 25 14.894 10.217 -9.751 1.00 0.00 O ATOM 430 CB ALA A 25 13.107 8.226 -7.903 1.00 0.00 C ATOM 0 H ALA A 25 11.478 7.625 -9.659 1.00 0.00 H new ATOM 0 HA ALA A 25 12.546 10.092 -8.762 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.904 8.658 -7.298 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.196 8.158 -7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.401 7.229 -8.232 1.00 0.00 H new ATOM 436 N LYS A 26 14.337 8.344 -10.869 1.00 0.00 N ATOM 437 CA LYS A 26 15.493 8.380 -11.759 1.00 0.00 C ATOM 438 C LYS A 26 15.347 9.492 -12.792 1.00 0.00 C ATOM 439 O LYS A 26 16.333 10.094 -13.211 1.00 0.00 O ATOM 440 CB LYS A 26 15.663 7.029 -12.453 1.00 0.00 C ATOM 441 CG LYS A 26 15.973 5.894 -11.491 1.00 0.00 C ATOM 442 CD LYS A 26 16.043 4.554 -12.203 1.00 0.00 C ATOM 443 CE LYS A 26 16.548 3.458 -11.279 1.00 0.00 C ATOM 444 NZ LYS A 26 17.961 3.683 -10.869 1.00 0.00 N ATOM 0 H LYS A 26 13.714 7.552 -11.026 1.00 0.00 H new ATOM 0 HA LYS A 26 16.382 8.585 -11.162 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.751 6.793 -13.001 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.466 7.104 -13.187 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.922 6.090 -10.991 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.207 5.855 -10.717 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.055 4.288 -12.578 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.702 4.634 -13.068 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.916 3.411 -10.392 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.465 2.494 -11.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.363 2.795 -10.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.514 4.003 -11.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.995 4.408 -10.125 1.00 0.00 H new ATOM 458 N GLU A 27 14.108 9.758 -13.193 1.00 0.00 N ATOM 459 CA GLU A 27 13.820 10.832 -14.136 1.00 0.00 C ATOM 460 C GLU A 27 14.166 12.182 -13.518 1.00 0.00 C ATOM 461 O GLU A 27 14.494 13.139 -14.222 1.00 0.00 O ATOM 462 CB GLU A 27 12.345 10.812 -14.542 1.00 0.00 C ATOM 463 CG GLU A 27 11.869 9.479 -15.098 1.00 0.00 C ATOM 464 CD GLU A 27 12.598 9.069 -16.362 1.00 0.00 C ATOM 465 OE1 GLU A 27 12.265 9.597 -17.443 1.00 0.00 O ATOM 466 OE2 GLU A 27 13.482 8.193 -16.290 1.00 0.00 O ATOM 0 H GLU A 27 13.286 9.243 -12.878 1.00 0.00 H new ATOM 0 HA GLU A 27 14.430 10.678 -15.026 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.737 11.069 -13.674 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.175 11.586 -15.290 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.004 8.707 -14.341 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.800 9.539 -15.305 1.00 0.00 H new ATOM 473 N GLY A 28 14.077 12.253 -12.194 1.00 0.00 N ATOM 474 CA GLY A 28 14.465 13.455 -11.481 1.00 0.00 C ATOM 475 C GLY A 28 13.427 14.553 -11.571 1.00 0.00 C ATOM 476 O GLY A 28 13.723 15.722 -11.307 1.00 0.00 O ATOM 0 H GLY A 28 13.741 11.495 -11.600 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.638 13.210 -10.433 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.410 13.821 -11.883 1.00 0.00 H new ATOM 480 N ASP A 29 12.210 14.185 -11.946 1.00 0.00 N ATOM 481 CA ASP A 29 11.130 15.153 -12.063 1.00 0.00 C ATOM 482 C ASP A 29 10.306 15.178 -10.783 1.00 0.00 C ATOM 483 O ASP A 29 9.652 14.195 -10.433 1.00 0.00 O ATOM 484 CB ASP A 29 10.238 14.827 -13.261 1.00 0.00 C ATOM 485 CG ASP A 29 9.154 15.866 -13.475 1.00 0.00 C ATOM 486 OD1 ASP A 29 9.404 16.856 -14.197 1.00 0.00 O ATOM 487 OD2 ASP A 29 8.051 15.701 -12.927 1.00 0.00 O ATOM 0 H ASP A 29 11.947 13.226 -12.174 1.00 0.00 H new ATOM 0 HA ASP A 29 11.567 16.139 -12.220 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.852 14.756 -14.159 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.777 13.850 -13.112 1.00 0.00 H new ATOM 492 N GLU A 30 10.345 16.305 -10.089 1.00 0.00 N ATOM 493 CA GLU A 30 9.667 16.442 -8.807 1.00 0.00 C ATOM 494 C GLU A 30 8.151 16.525 -8.961 1.00 0.00 C ATOM 495 O GLU A 30 7.417 16.240 -8.017 1.00 0.00 O ATOM 496 CB GLU A 30 10.195 17.665 -8.063 1.00 0.00 C ATOM 497 CG GLU A 30 11.612 17.489 -7.550 1.00 0.00 C ATOM 498 CD GLU A 30 12.219 18.779 -7.052 1.00 0.00 C ATOM 499 OE1 GLU A 30 11.782 19.285 -5.998 1.00 0.00 O ATOM 500 OE2 GLU A 30 13.143 19.295 -7.716 1.00 0.00 O ATOM 0 H GLU A 30 10.841 17.143 -10.393 1.00 0.00 H new ATOM 0 HA GLU A 30 9.881 15.545 -8.226 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.161 18.529 -8.727 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.536 17.883 -7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.613 16.757 -6.742 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.235 17.084 -8.348 1.00 0.00 H new ATOM 507 N GLN A 31 7.677 16.902 -10.144 1.00 0.00 N ATOM 508 CA GLN A 31 6.241 16.956 -10.384 1.00 0.00 C ATOM 509 C GLN A 31 5.671 15.544 -10.380 1.00 0.00 C ATOM 510 O GLN A 31 4.620 15.289 -9.788 1.00 0.00 O ATOM 511 CB GLN A 31 5.919 17.649 -11.707 1.00 0.00 C ATOM 512 CG GLN A 31 4.428 17.823 -11.946 1.00 0.00 C ATOM 513 CD GLN A 31 4.114 18.402 -13.311 1.00 0.00 C ATOM 514 OE1 GLN A 31 4.054 19.621 -13.483 1.00 0.00 O ATOM 515 NE2 GLN A 31 3.911 17.536 -14.291 1.00 0.00 N ATOM 0 H GLN A 31 8.256 17.171 -10.940 1.00 0.00 H new ATOM 0 HA GLN A 31 5.783 17.540 -9.585 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.399 18.627 -11.723 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.346 17.070 -12.526 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.933 16.857 -11.844 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.015 18.475 -11.176 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.970 16.534 -14.107 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.696 17.870 -15.230 1.00 0.00 H new ATOM 524 N GLU A 32 6.384 14.629 -11.033 1.00 0.00 N ATOM 525 CA GLU A 32 6.024 13.220 -11.011 1.00 0.00 C ATOM 526 C GLU A 32 6.065 12.693 -9.583 1.00 0.00 C ATOM 527 O GLU A 32 5.170 11.971 -9.157 1.00 0.00 O ATOM 528 CB GLU A 32 6.966 12.394 -11.890 1.00 0.00 C ATOM 529 CG GLU A 32 6.852 12.694 -13.374 1.00 0.00 C ATOM 530 CD GLU A 32 5.444 12.511 -13.903 1.00 0.00 C ATOM 531 OE1 GLU A 32 4.935 11.371 -13.876 1.00 0.00 O ATOM 532 OE2 GLU A 32 4.844 13.509 -14.354 1.00 0.00 O ATOM 0 H GLU A 32 7.215 14.842 -11.584 1.00 0.00 H new ATOM 0 HA GLU A 32 5.013 13.126 -11.407 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.993 12.573 -11.572 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.762 11.336 -11.728 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.174 13.719 -13.559 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.530 12.042 -13.925 1.00 0.00 H new ATOM 539 N LEU A 33 7.104 13.078 -8.847 1.00 0.00 N ATOM 540 CA LEU A 33 7.265 12.657 -7.459 1.00 0.00 C ATOM 541 C LEU A 33 6.101 13.139 -6.594 1.00 0.00 C ATOM 542 O LEU A 33 5.549 12.374 -5.799 1.00 0.00 O ATOM 543 CB LEU A 33 8.592 13.178 -6.898 1.00 0.00 C ATOM 544 CG LEU A 33 9.846 12.537 -7.495 1.00 0.00 C ATOM 545 CD1 LEU A 33 11.098 13.181 -6.918 1.00 0.00 C ATOM 546 CD2 LEU A 33 9.852 11.036 -7.235 1.00 0.00 C ATOM 0 H LEU A 33 7.850 13.683 -9.191 1.00 0.00 H new ATOM 0 HA LEU A 33 7.272 11.567 -7.437 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.640 14.255 -7.062 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.600 13.019 -5.820 1.00 0.00 H new ATOM 0 HG LEU A 33 9.838 12.701 -8.573 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.981 12.713 -7.353 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.099 14.246 -7.150 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.111 13.046 -5.837 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.751 10.596 -7.666 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.838 10.853 -6.161 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.972 10.584 -7.692 1.00 0.00 H new ATOM 558 N ALA A 34 5.724 14.402 -6.759 1.00 0.00 N ATOM 559 CA ALA A 34 4.590 14.962 -6.033 1.00 0.00 C ATOM 560 C ALA A 34 3.305 14.236 -6.416 1.00 0.00 C ATOM 561 O ALA A 34 2.478 13.912 -5.561 1.00 0.00 O ATOM 562 CB ALA A 34 4.465 16.453 -6.309 1.00 0.00 C ATOM 0 H ALA A 34 6.187 15.057 -7.389 1.00 0.00 H new ATOM 0 HA ALA A 34 4.759 14.824 -4.965 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.614 16.855 -5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.375 16.960 -5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.316 16.614 -7.377 1.00 0.00 H new ATOM 568 N ARG A 35 3.159 13.977 -7.711 1.00 0.00 N ATOM 569 CA ARG A 35 2.041 13.229 -8.237 1.00 0.00 C ATOM 570 C ARG A 35 1.985 11.837 -7.617 1.00 0.00 C ATOM 571 O ARG A 35 0.930 11.390 -7.171 1.00 0.00 O ATOM 572 CB ARG A 35 2.191 13.122 -9.753 1.00 0.00 C ATOM 573 CG ARG A 35 1.039 12.427 -10.422 1.00 0.00 C ATOM 574 CD ARG A 35 1.251 12.319 -11.922 1.00 0.00 C ATOM 575 NE ARG A 35 0.201 11.535 -12.568 1.00 0.00 N ATOM 576 CZ ARG A 35 -0.315 11.819 -13.759 1.00 0.00 C ATOM 577 NH1 ARG A 35 0.133 12.859 -14.452 1.00 0.00 N ATOM 578 NH2 ARG A 35 -1.275 11.051 -14.254 1.00 0.00 N ATOM 0 H ARG A 35 3.821 14.285 -8.423 1.00 0.00 H new ATOM 0 HA ARG A 35 1.113 13.745 -7.991 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.293 14.123 -10.171 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.111 12.585 -9.982 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.918 11.430 -9.998 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.117 12.973 -10.222 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.277 13.318 -12.357 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.220 11.860 -12.119 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.158 10.718 -12.074 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.876 13.444 -14.071 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.266 13.073 -15.366 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.612 10.249 -13.721 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.677 11.262 -15.168 1.00 0.00 H new ATOM 592 N LEU A 36 3.135 11.173 -7.578 1.00 0.00 N ATOM 593 CA LEU A 36 3.236 9.820 -7.046 1.00 0.00 C ATOM 594 C LEU A 36 2.782 9.760 -5.600 1.00 0.00 C ATOM 595 O LEU A 36 2.006 8.888 -5.228 1.00 0.00 O ATOM 596 CB LEU A 36 4.677 9.326 -7.138 1.00 0.00 C ATOM 597 CG LEU A 36 5.187 9.072 -8.550 1.00 0.00 C ATOM 598 CD1 LEU A 36 6.694 8.895 -8.529 1.00 0.00 C ATOM 599 CD2 LEU A 36 4.506 7.848 -9.147 1.00 0.00 C ATOM 0 H LEU A 36 4.019 11.556 -7.913 1.00 0.00 H new ATOM 0 HA LEU A 36 2.585 9.181 -7.643 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.327 10.060 -6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.765 8.402 -6.566 1.00 0.00 H new ATOM 0 HG LEU A 36 4.947 9.931 -9.176 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.053 8.714 -9.542 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.161 9.798 -8.135 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.952 8.047 -7.895 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.881 7.679 -10.156 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.720 6.975 -8.530 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.429 8.012 -9.183 1.00 0.00 H new ATOM 611 N ASN A 37 3.250 10.703 -4.792 1.00 0.00 N ATOM 612 CA ASN A 37 2.917 10.713 -3.378 1.00 0.00 C ATOM 613 C ASN A 37 1.413 10.880 -3.194 1.00 0.00 C ATOM 614 O ASN A 37 0.803 10.210 -2.361 1.00 0.00 O ATOM 615 CB ASN A 37 3.670 11.828 -2.652 1.00 0.00 C ATOM 616 CG ASN A 37 3.656 11.644 -1.148 1.00 0.00 C ATOM 617 OD1 ASN A 37 4.525 10.976 -0.589 1.00 0.00 O ATOM 618 ND2 ASN A 37 2.676 12.234 -0.483 1.00 0.00 N ATOM 0 H ASN A 37 3.858 11.466 -5.092 1.00 0.00 H new ATOM 0 HA ASN A 37 3.220 9.760 -2.945 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.702 11.856 -3.003 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.222 12.790 -2.903 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.621 12.144 0.532 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.975 12.779 -0.985 1.00 0.00 H new ATOM 625 N GLN A 38 0.820 11.757 -4.001 1.00 0.00 N ATOM 626 CA GLN A 38 -0.623 11.955 -3.999 1.00 0.00 C ATOM 627 C GLN A 38 -1.337 10.670 -4.412 1.00 0.00 C ATOM 628 O GLN A 38 -2.274 10.229 -3.748 1.00 0.00 O ATOM 629 CB GLN A 38 -0.996 13.088 -4.959 1.00 0.00 C ATOM 630 CG GLN A 38 -1.675 14.272 -4.289 1.00 0.00 C ATOM 631 CD GLN A 38 -3.067 13.940 -3.780 1.00 0.00 C ATOM 632 OE1 GLN A 38 -3.241 13.530 -2.632 1.00 0.00 O ATOM 633 NE2 GLN A 38 -4.066 14.117 -4.634 1.00 0.00 N ATOM 0 H GLN A 38 1.322 12.344 -4.667 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.937 12.222 -2.990 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.093 13.437 -5.460 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.657 12.693 -5.731 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.060 14.614 -3.456 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.739 15.097 -4.998 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.877 14.459 -5.576 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.023 13.911 -4.349 1.00 0.00 H new ATOM 642 N GLU A 39 -0.866 10.066 -5.500 1.00 0.00 N ATOM 643 CA GLU A 39 -1.443 8.826 -6.012 1.00 0.00 C ATOM 644 C GLU A 39 -1.360 7.713 -4.976 1.00 0.00 C ATOM 645 O GLU A 39 -2.311 6.950 -4.797 1.00 0.00 O ATOM 646 CB GLU A 39 -0.725 8.391 -7.293 1.00 0.00 C ATOM 647 CG GLU A 39 -1.010 9.284 -8.488 1.00 0.00 C ATOM 648 CD GLU A 39 -2.426 9.136 -9.006 1.00 0.00 C ATOM 649 OE1 GLU A 39 -3.376 9.503 -8.284 1.00 0.00 O ATOM 650 OE2 GLU A 39 -2.597 8.653 -10.143 1.00 0.00 O ATOM 0 H GLU A 39 -0.081 10.418 -6.047 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.493 9.016 -6.234 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.349 8.377 -7.110 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.020 7.370 -7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.837 10.323 -8.209 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.309 9.048 -9.288 1.00 0.00 H new ATOM 657 N ILE A 40 -0.225 7.628 -4.295 1.00 0.00 N ATOM 658 CA ILE A 40 -0.032 6.634 -3.249 1.00 0.00 C ATOM 659 C ILE A 40 -1.061 6.817 -2.138 1.00 0.00 C ATOM 660 O ILE A 40 -1.741 5.868 -1.762 1.00 0.00 O ATOM 661 CB ILE A 40 1.400 6.697 -2.664 1.00 0.00 C ATOM 662 CG1 ILE A 40 2.423 6.311 -3.737 1.00 0.00 C ATOM 663 CG2 ILE A 40 1.534 5.784 -1.451 1.00 0.00 C ATOM 664 CD1 ILE A 40 3.865 6.499 -3.315 1.00 0.00 C ATOM 0 H ILE A 40 0.578 8.238 -4.449 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.169 5.652 -3.701 1.00 0.00 H new ATOM 0 HB ILE A 40 1.594 7.720 -2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.269 5.267 -4.011 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.237 6.906 -4.631 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.549 5.847 -1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.828 6.096 -0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.321 4.756 -1.744 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.524 6.203 -4.131 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.039 7.547 -3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.071 5.883 -2.440 1.00 0.00 H new ATOM 676 N VAL A 41 -1.203 8.045 -1.649 1.00 0.00 N ATOM 677 CA VAL A 41 -2.186 8.344 -0.609 1.00 0.00 C ATOM 678 C VAL A 41 -3.588 7.932 -1.059 1.00 0.00 C ATOM 679 O VAL A 41 -4.327 7.281 -0.318 1.00 0.00 O ATOM 680 CB VAL A 41 -2.187 9.847 -0.243 1.00 0.00 C ATOM 681 CG1 VAL A 41 -3.290 10.170 0.754 1.00 0.00 C ATOM 682 CG2 VAL A 41 -0.834 10.266 0.312 1.00 0.00 C ATOM 0 H VAL A 41 -0.653 8.848 -1.954 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.904 7.772 0.275 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.379 10.411 -1.156 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.265 11.233 0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.258 9.917 0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.138 9.591 1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.856 11.326 0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.613 9.686 1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.062 10.086 -0.437 1.00 0.00 H new ATOM 692 N LYS A 42 -3.926 8.294 -2.288 1.00 0.00 N ATOM 693 CA LYS A 42 -5.229 7.974 -2.859 1.00 0.00 C ATOM 694 C LYS A 42 -5.445 6.461 -2.949 1.00 0.00 C ATOM 695 O LYS A 42 -6.527 5.964 -2.632 1.00 0.00 O ATOM 696 CB LYS A 42 -5.352 8.611 -4.242 1.00 0.00 C ATOM 697 CG LYS A 42 -5.355 10.132 -4.206 1.00 0.00 C ATOM 698 CD LYS A 42 -5.037 10.732 -5.568 1.00 0.00 C ATOM 699 CE LYS A 42 -6.043 10.311 -6.625 1.00 0.00 C ATOM 700 NZ LYS A 42 -5.646 10.785 -7.973 1.00 0.00 N ATOM 0 H LYS A 42 -3.311 8.814 -2.914 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.000 8.378 -2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.525 8.271 -4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.271 8.264 -4.714 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.331 10.485 -3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.624 10.479 -3.476 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.026 11.819 -5.491 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.038 10.424 -5.875 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.132 9.225 -6.632 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.026 10.710 -6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.474 10.774 -8.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.276 11.755 -7.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.910 10.160 -8.358 1.00 0.00 H new ATOM 714 N ALA A 43 -4.415 5.738 -3.379 1.00 0.00 N ATOM 715 CA ALA A 43 -4.498 4.285 -3.522 1.00 0.00 C ATOM 716 C ALA A 43 -4.555 3.592 -2.164 1.00 0.00 C ATOM 717 O ALA A 43 -5.395 2.720 -1.940 1.00 0.00 O ATOM 718 CB ALA A 43 -3.320 3.761 -4.328 1.00 0.00 C ATOM 0 H ALA A 43 -3.511 6.134 -3.635 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.422 4.058 -4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.398 2.678 -4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.326 4.215 -5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.390 4.014 -3.819 1.00 0.00 H new ATOM 724 N GLU A 44 -3.666 3.996 -1.260 1.00 0.00 N ATOM 725 CA GLU A 44 -3.602 3.412 0.076 1.00 0.00 C ATOM 726 C GLU A 44 -4.936 3.588 0.801 1.00 0.00 C ATOM 727 O GLU A 44 -5.465 2.638 1.373 1.00 0.00 O ATOM 728 CB GLU A 44 -2.473 4.054 0.893 1.00 0.00 C ATOM 729 CG GLU A 44 -1.082 3.867 0.298 1.00 0.00 C ATOM 730 CD GLU A 44 -0.406 2.576 0.713 1.00 0.00 C ATOM 731 OE1 GLU A 44 0.302 2.560 1.735 1.00 0.00 O ATOM 732 OE2 GLU A 44 -0.542 1.557 0.035 1.00 0.00 O ATOM 0 H GLU A 44 -2.977 4.729 -1.430 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.396 2.347 -0.028 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.673 5.121 0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.484 3.634 1.899 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.156 3.894 -0.789 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.454 4.707 0.596 1.00 0.00 H new ATOM 739 N LYS A 45 -5.495 4.798 0.743 1.00 0.00 N ATOM 740 CA LYS A 45 -6.766 5.081 1.407 1.00 0.00 C ATOM 741 C LYS A 45 -7.922 4.363 0.723 1.00 0.00 C ATOM 742 O LYS A 45 -8.907 4.007 1.370 1.00 0.00 O ATOM 743 CB LYS A 45 -7.053 6.584 1.476 1.00 0.00 C ATOM 744 CG LYS A 45 -6.098 7.349 2.370 1.00 0.00 C ATOM 745 CD LYS A 45 -6.645 8.719 2.718 1.00 0.00 C ATOM 746 CE LYS A 45 -7.820 8.617 3.684 1.00 0.00 C ATOM 747 NZ LYS A 45 -7.428 8.018 4.990 1.00 0.00 N ATOM 0 H LYS A 45 -5.090 5.592 0.247 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.675 4.706 2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.006 7.000 0.470 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.071 6.734 1.835 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.921 6.783 3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.135 7.456 1.870 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.856 9.325 3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.963 9.228 1.808 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.236 9.610 3.853 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.608 8.014 3.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.182 8.183 5.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.282 6.995 4.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.546 8.458 5.323 1.00 0.00 H new ATOM 761 N GLN A 46 -7.811 4.164 -0.584 1.00 0.00 N ATOM 762 CA GLN A 46 -8.806 3.398 -1.317 1.00 0.00 C ATOM 763 C GLN A 46 -8.857 1.988 -0.743 1.00 0.00 C ATOM 764 O GLN A 46 -9.934 1.415 -0.553 1.00 0.00 O ATOM 765 CB GLN A 46 -8.461 3.379 -2.815 1.00 0.00 C ATOM 766 CG GLN A 46 -9.563 2.832 -3.718 1.00 0.00 C ATOM 767 CD GLN A 46 -9.411 1.349 -4.028 1.00 0.00 C ATOM 768 OE1 GLN A 46 -8.748 0.974 -4.992 1.00 0.00 O ATOM 769 NE2 GLN A 46 -10.036 0.499 -3.228 1.00 0.00 N ATOM 0 H GLN A 46 -7.045 4.521 -1.155 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.788 3.859 -1.212 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.222 4.394 -3.131 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.562 2.780 -2.959 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.529 2.999 -3.241 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.568 3.392 -4.653 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.577 0.847 -2.437 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -9.976 -0.504 -3.403 1.00 0.00 H new ATOM 778 N GLY A 47 -7.680 1.451 -0.441 1.00 0.00 N ATOM 779 CA GLY A 47 -7.592 0.169 0.223 1.00 0.00 C ATOM 780 C GLY A 47 -8.104 0.238 1.645 1.00 0.00 C ATOM 781 O GLY A 47 -8.880 -0.615 2.069 1.00 0.00 O ATOM 0 H GLY A 47 -6.781 1.886 -0.647 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.167 -0.570 -0.335 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.556 -0.169 0.226 1.00 0.00 H new ATOM 785 N VAL A 48 -7.683 1.267 2.372 1.00 0.00 N ATOM 786 CA VAL A 48 -8.124 1.475 3.748 1.00 0.00 C ATOM 787 C VAL A 48 -9.647 1.490 3.843 1.00 0.00 C ATOM 788 O VAL A 48 -10.225 0.909 4.757 1.00 0.00 O ATOM 789 CB VAL A 48 -7.565 2.800 4.322 1.00 0.00 C ATOM 790 CG1 VAL A 48 -8.189 3.130 5.673 1.00 0.00 C ATOM 791 CG2 VAL A 48 -6.051 2.731 4.442 1.00 0.00 C ATOM 0 H VAL A 48 -7.033 1.974 2.029 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.738 0.642 4.335 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.828 3.599 3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.774 4.066 6.047 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.268 3.231 5.560 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.971 2.329 6.380 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.675 3.670 4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.776 1.913 5.108 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.615 2.560 3.458 1.00 0.00 H new ATOM 801 N LYS A 49 -10.288 2.132 2.877 1.00 0.00 N ATOM 802 CA LYS A 49 -11.738 2.274 2.882 1.00 0.00 C ATOM 803 C LYS A 49 -12.428 0.908 2.909 1.00 0.00 C ATOM 804 O LYS A 49 -13.294 0.661 3.751 1.00 0.00 O ATOM 805 CB LYS A 49 -12.177 3.068 1.647 1.00 0.00 C ATOM 806 CG LYS A 49 -13.630 3.520 1.679 1.00 0.00 C ATOM 807 CD LYS A 49 -13.966 4.385 0.469 1.00 0.00 C ATOM 808 CE LYS A 49 -13.081 5.621 0.402 1.00 0.00 C ATOM 809 NZ LYS A 49 -13.357 6.445 -0.806 1.00 0.00 N ATOM 0 H LYS A 49 -9.826 2.564 2.077 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.032 2.811 3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.538 3.945 1.547 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -12.018 2.455 0.760 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -14.284 2.648 1.699 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.819 4.081 2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.845 3.800 -0.443 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -15.012 4.688 0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.236 6.226 1.295 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.034 5.317 0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.731 7.276 -0.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.184 5.878 -1.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.349 6.758 -0.793 1.00 0.00 H new ATOM 823 N VAL A 50 -12.043 0.024 1.992 1.00 0.00 N ATOM 824 CA VAL A 50 -12.609 -1.320 1.943 1.00 0.00 C ATOM 825 C VAL A 50 -12.094 -2.208 3.079 1.00 0.00 C ATOM 826 O VAL A 50 -12.862 -2.955 3.684 1.00 0.00 O ATOM 827 CB VAL A 50 -12.369 -2.009 0.578 1.00 0.00 C ATOM 828 CG1 VAL A 50 -13.150 -1.302 -0.520 1.00 0.00 C ATOM 829 CG2 VAL A 50 -10.889 -2.059 0.224 1.00 0.00 C ATOM 0 H VAL A 50 -11.343 0.214 1.275 1.00 0.00 H new ATOM 0 HA VAL A 50 -13.684 -1.193 2.073 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.725 -3.036 0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -12.970 -1.800 -1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.215 -1.336 -0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.826 -0.263 -0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.762 -2.550 -0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.493 -1.045 0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.351 -2.618 0.989 1.00 0.00 H new ATOM 839 N TYR A 51 -10.798 -2.115 3.381 1.00 0.00 N ATOM 840 CA TYR A 51 -10.186 -2.973 4.390 1.00 0.00 C ATOM 841 C TYR A 51 -10.727 -2.673 5.783 1.00 0.00 C ATOM 842 O TYR A 51 -10.922 -3.582 6.582 1.00 0.00 O ATOM 843 CB TYR A 51 -8.662 -2.831 4.391 1.00 0.00 C ATOM 844 CG TYR A 51 -7.968 -3.499 3.223 1.00 0.00 C ATOM 845 CD1 TYR A 51 -8.437 -4.698 2.698 1.00 0.00 C ATOM 846 CD2 TYR A 51 -6.835 -2.934 2.653 1.00 0.00 C ATOM 847 CE1 TYR A 51 -7.791 -5.315 1.643 1.00 0.00 C ATOM 848 CE2 TYR A 51 -6.187 -3.542 1.597 1.00 0.00 C ATOM 849 CZ TYR A 51 -6.670 -4.730 1.094 1.00 0.00 C ATOM 850 OH TYR A 51 -6.021 -5.341 0.048 1.00 0.00 O ATOM 0 H TYR A 51 -10.156 -1.456 2.941 1.00 0.00 H new ATOM 0 HA TYR A 51 -10.445 -3.999 4.129 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.409 -1.771 4.390 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.271 -3.251 5.318 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -9.320 -5.154 3.121 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.454 -2.002 3.043 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.163 -6.250 1.251 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.306 -3.089 1.167 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.586 -5.306 -0.752 1.00 0.00 H new ATOM 860 N LYS A 52 -10.964 -1.401 6.072 1.00 0.00 N ATOM 861 CA LYS A 52 -11.465 -0.997 7.382 1.00 0.00 C ATOM 862 C LYS A 52 -12.844 -1.599 7.625 1.00 0.00 C ATOM 863 O LYS A 52 -13.164 -2.025 8.737 1.00 0.00 O ATOM 864 CB LYS A 52 -11.510 0.531 7.475 1.00 0.00 C ATOM 865 CG LYS A 52 -11.662 1.069 8.887 1.00 0.00 C ATOM 866 CD LYS A 52 -11.603 2.590 8.893 1.00 0.00 C ATOM 867 CE LYS A 52 -11.719 3.163 10.294 1.00 0.00 C ATOM 868 NZ LYS A 52 -10.555 2.817 11.151 1.00 0.00 N ATOM 0 H LYS A 52 -10.818 -0.631 5.419 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.791 -1.369 8.154 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.596 0.936 7.041 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.339 0.896 6.869 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -12.610 0.735 9.308 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.872 0.667 9.522 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.665 2.917 8.445 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.407 2.986 8.273 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.811 4.247 10.233 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.632 2.792 10.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.625 3.328 12.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.549 1.793 11.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.675 3.088 10.667 1.00 0.00 H new ATOM 882 N GLU A 53 -13.641 -1.658 6.566 1.00 0.00 N ATOM 883 CA GLU A 53 -14.961 -2.266 6.627 1.00 0.00 C ATOM 884 C GLU A 53 -14.839 -3.769 6.857 1.00 0.00 C ATOM 885 O GLU A 53 -15.568 -4.354 7.660 1.00 0.00 O ATOM 886 CB GLU A 53 -15.723 -2.002 5.328 1.00 0.00 C ATOM 887 CG GLU A 53 -17.135 -2.565 5.328 1.00 0.00 C ATOM 888 CD GLU A 53 -17.839 -2.371 4.004 1.00 0.00 C ATOM 889 OE1 GLU A 53 -17.634 -3.195 3.091 1.00 0.00 O ATOM 890 OE2 GLU A 53 -18.625 -1.409 3.882 1.00 0.00 O ATOM 0 H GLU A 53 -13.392 -1.289 5.648 1.00 0.00 H new ATOM 0 HA GLU A 53 -15.510 -1.823 7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.769 -0.927 5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.168 -2.435 4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -17.098 -3.629 5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -17.714 -2.084 6.117 1.00 0.00 H new ATOM 897 N ALA A 54 -13.905 -4.387 6.149 1.00 0.00 N ATOM 898 CA ALA A 54 -13.695 -5.823 6.249 1.00 0.00 C ATOM 899 C ALA A 54 -13.103 -6.208 7.600 1.00 0.00 C ATOM 900 O ALA A 54 -13.391 -7.276 8.124 1.00 0.00 O ATOM 901 CB ALA A 54 -12.797 -6.303 5.120 1.00 0.00 C ATOM 0 H ALA A 54 -13.279 -3.914 5.497 1.00 0.00 H new ATOM 0 HA ALA A 54 -14.666 -6.310 6.162 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -12.648 -7.379 5.206 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.265 -6.077 4.162 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.834 -5.797 5.181 1.00 0.00 H new ATOM 907 N ALA A 55 -12.279 -5.330 8.159 1.00 0.00 N ATOM 908 CA ALA A 55 -11.632 -5.589 9.440 1.00 0.00 C ATOM 909 C ALA A 55 -12.653 -5.674 10.568 1.00 0.00 C ATOM 910 O ALA A 55 -12.571 -6.551 11.430 1.00 0.00 O ATOM 911 CB ALA A 55 -10.600 -4.512 9.739 1.00 0.00 C ATOM 0 H ALA A 55 -12.042 -4.429 7.744 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.127 -6.552 9.372 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.126 -4.719 10.698 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.844 -4.505 8.954 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.090 -3.539 9.779 1.00 0.00 H new ATOM 917 N GLU A 56 -13.628 -4.774 10.551 1.00 0.00 N ATOM 918 CA GLU A 56 -14.641 -4.734 11.599 1.00 0.00 C ATOM 919 C GLU A 56 -15.730 -5.774 11.349 1.00 0.00 C ATOM 920 O GLU A 56 -16.540 -6.064 12.231 1.00 0.00 O ATOM 921 CB GLU A 56 -15.272 -3.342 11.689 1.00 0.00 C ATOM 922 CG GLU A 56 -15.988 -2.914 10.421 1.00 0.00 C ATOM 923 CD GLU A 56 -16.889 -1.718 10.633 1.00 0.00 C ATOM 924 OE1 GLU A 56 -16.402 -0.573 10.533 1.00 0.00 O ATOM 925 OE2 GLU A 56 -18.094 -1.922 10.905 1.00 0.00 O ATOM 0 H GLU A 56 -13.739 -4.065 9.827 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.147 -4.964 12.543 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.979 -3.326 12.518 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.494 -2.614 11.920 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.250 -2.676 9.655 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.581 -3.748 10.045 1.00 0.00 H new ATOM 932 N LYS A 57 -15.742 -6.333 10.147 1.00 0.00 N ATOM 933 CA LYS A 57 -16.792 -7.254 9.743 1.00 0.00 C ATOM 934 C LYS A 57 -16.184 -8.571 9.269 1.00 0.00 C ATOM 935 O LYS A 57 -16.753 -9.278 8.437 1.00 0.00 O ATOM 936 CB LYS A 57 -17.628 -6.603 8.639 1.00 0.00 C ATOM 937 CG LYS A 57 -19.011 -7.212 8.459 1.00 0.00 C ATOM 938 CD LYS A 57 -20.037 -6.145 8.108 1.00 0.00 C ATOM 939 CE LYS A 57 -19.686 -5.411 6.822 1.00 0.00 C ATOM 940 NZ LYS A 57 -20.514 -4.188 6.653 1.00 0.00 N ATOM 0 H LYS A 57 -15.033 -6.163 9.433 1.00 0.00 H new ATOM 0 HA LYS A 57 -17.439 -7.475 10.592 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.737 -5.541 8.860 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -17.085 -6.678 7.697 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -18.981 -7.965 7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -19.310 -7.721 9.375 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -21.019 -6.607 8.004 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -20.107 -5.428 8.926 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.631 -5.139 6.833 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -19.836 -6.074 5.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -20.251 -3.710 5.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -21.519 -4.452 6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -20.352 -3.545 7.454 1.00 0.00 H new ATOM 954 N ALA A 58 -15.022 -8.898 9.814 1.00 0.00 N ATOM 955 CA ALA A 58 -14.339 -10.132 9.469 1.00 0.00 C ATOM 956 C ALA A 58 -14.973 -11.308 10.195 1.00 0.00 C ATOM 957 O ALA A 58 -15.627 -11.135 11.225 1.00 0.00 O ATOM 958 CB ALA A 58 -12.858 -10.037 9.790 1.00 0.00 C ATOM 0 H ALA A 58 -14.532 -8.323 10.499 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.441 -10.293 8.396 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.367 -10.973 9.523 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.414 -9.220 9.222 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.728 -9.850 10.856 1.00 0.00 H new ATOM 964 N ARG A 59 -14.775 -12.496 9.658 1.00 0.00 N ATOM 965 CA ARG A 59 -15.423 -13.689 10.183 1.00 0.00 C ATOM 966 C ARG A 59 -14.454 -14.504 11.034 1.00 0.00 C ATOM 967 O ARG A 59 -14.689 -14.722 12.222 1.00 0.00 O ATOM 968 CB ARG A 59 -15.977 -14.513 9.016 1.00 0.00 C ATOM 969 CG ARG A 59 -16.874 -13.684 8.113 1.00 0.00 C ATOM 970 CD ARG A 59 -17.151 -14.360 6.782 1.00 0.00 C ATOM 971 NE ARG A 59 -17.724 -13.409 5.829 1.00 0.00 N ATOM 972 CZ ARG A 59 -17.421 -13.373 4.529 1.00 0.00 C ATOM 973 NH1 ARG A 59 -16.668 -14.326 3.987 1.00 0.00 N ATOM 974 NH2 ARG A 59 -17.892 -12.394 3.767 1.00 0.00 N ATOM 0 H ARG A 59 -14.169 -12.664 8.855 1.00 0.00 H new ATOM 0 HA ARG A 59 -16.249 -13.399 10.832 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.150 -14.918 8.433 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -16.539 -15.362 9.405 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -17.819 -13.493 8.622 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -16.407 -12.716 7.934 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.227 -14.774 6.379 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.837 -15.194 6.928 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.399 -12.729 6.180 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.318 -15.090 4.565 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.440 -14.293 2.993 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.484 -11.671 4.175 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.662 -12.365 2.774 1.00 0.00 H new ATOM 988 N ASN A 60 -13.355 -14.929 10.430 1.00 0.00 N ATOM 989 CA ASN A 60 -12.348 -15.706 11.140 1.00 0.00 C ATOM 990 C ASN A 60 -11.406 -14.773 11.896 1.00 0.00 C ATOM 991 O ASN A 60 -10.857 -13.835 11.316 1.00 0.00 O ATOM 992 CB ASN A 60 -11.562 -16.580 10.161 1.00 0.00 C ATOM 993 CG ASN A 60 -12.461 -17.443 9.295 1.00 0.00 C ATOM 994 OD1 ASN A 60 -12.856 -17.039 8.200 1.00 0.00 O ATOM 995 ND2 ASN A 60 -12.796 -18.631 9.776 1.00 0.00 N ATOM 0 H ASN A 60 -13.137 -14.750 9.450 1.00 0.00 H new ATOM 0 HA ASN A 60 -12.847 -16.357 11.858 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.951 -15.943 9.521 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.879 -17.220 10.719 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.402 -19.248 9.235 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.448 -18.929 10.687 1.00 0.00 H new ATOM 1002 N PRO A 61 -11.213 -15.019 13.201 1.00 0.00 N ATOM 1003 CA PRO A 61 -10.421 -14.141 14.074 1.00 0.00 C ATOM 1004 C PRO A 61 -8.972 -13.989 13.620 1.00 0.00 C ATOM 1005 O PRO A 61 -8.406 -12.897 13.689 1.00 0.00 O ATOM 1006 CB PRO A 61 -10.480 -14.833 15.441 1.00 0.00 C ATOM 1007 CG PRO A 61 -10.889 -16.237 15.155 1.00 0.00 C ATOM 1008 CD PRO A 61 -11.761 -16.170 13.938 1.00 0.00 C ATOM 0 HA PRO A 61 -10.819 -13.126 14.074 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.512 -14.800 15.941 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.196 -14.341 16.100 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.019 -16.869 14.978 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -11.429 -16.667 15.999 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -11.707 -17.087 13.352 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.808 -16.020 14.200 1.00 0.00 H new ATOM 1016 N GLU A 62 -8.385 -15.079 13.137 1.00 0.00 N ATOM 1017 CA GLU A 62 -6.990 -15.078 12.717 1.00 0.00 C ATOM 1018 C GLU A 62 -6.787 -14.130 11.537 1.00 0.00 C ATOM 1019 O GLU A 62 -5.863 -13.316 11.530 1.00 0.00 O ATOM 1020 CB GLU A 62 -6.569 -16.513 12.371 1.00 0.00 C ATOM 1021 CG GLU A 62 -5.195 -16.650 11.732 1.00 0.00 C ATOM 1022 CD GLU A 62 -5.260 -16.723 10.220 1.00 0.00 C ATOM 1023 OE1 GLU A 62 -5.764 -17.741 9.692 1.00 0.00 O ATOM 1024 OE2 GLU A 62 -4.822 -15.769 9.551 1.00 0.00 O ATOM 0 H GLU A 62 -8.856 -15.977 13.027 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.360 -14.717 13.530 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.589 -17.110 13.283 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.310 -16.939 11.695 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.576 -15.802 12.025 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.708 -17.547 12.115 1.00 0.00 H new ATOM 1031 N LYS A 63 -7.681 -14.203 10.564 1.00 0.00 N ATOM 1032 CA LYS A 63 -7.626 -13.300 9.424 1.00 0.00 C ATOM 1033 C LYS A 63 -8.125 -11.909 9.795 1.00 0.00 C ATOM 1034 O LYS A 63 -7.712 -10.919 9.196 1.00 0.00 O ATOM 1035 CB LYS A 63 -8.408 -13.868 8.239 1.00 0.00 C ATOM 1036 CG LYS A 63 -7.618 -14.901 7.444 1.00 0.00 C ATOM 1037 CD LYS A 63 -6.474 -14.252 6.673 1.00 0.00 C ATOM 1038 CE LYS A 63 -5.593 -15.288 5.992 1.00 0.00 C ATOM 1039 NZ LYS A 63 -4.675 -15.958 6.953 1.00 0.00 N ATOM 0 H LYS A 63 -8.449 -14.874 10.540 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.582 -13.206 9.124 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.328 -14.324 8.603 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.697 -13.052 7.577 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.220 -15.657 8.121 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.283 -15.414 6.749 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.880 -13.572 5.925 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.870 -13.653 7.354 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.221 -16.036 5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.009 -14.807 5.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.721 -15.554 6.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.021 -15.812 7.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.641 -16.977 6.748 1.00 0.00 H new ATOM 1053 N ARG A 64 -9.017 -11.839 10.781 1.00 0.00 N ATOM 1054 CA ARG A 64 -9.496 -10.556 11.290 1.00 0.00 C ATOM 1055 C ARG A 64 -8.317 -9.726 11.780 1.00 0.00 C ATOM 1056 O ARG A 64 -8.200 -8.541 11.463 1.00 0.00 O ATOM 1057 CB ARG A 64 -10.500 -10.760 12.432 1.00 0.00 C ATOM 1058 CG ARG A 64 -11.216 -9.483 12.851 1.00 0.00 C ATOM 1059 CD ARG A 64 -12.167 -9.721 14.015 1.00 0.00 C ATOM 1060 NE ARG A 64 -13.081 -8.594 14.210 1.00 0.00 N ATOM 1061 CZ ARG A 64 -13.326 -8.012 15.386 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -12.722 -8.437 16.488 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -14.185 -7.006 15.463 1.00 0.00 N ATOM 0 H ARG A 64 -9.422 -12.654 11.242 1.00 0.00 H new ATOM 0 HA ARG A 64 -10.001 -10.030 10.480 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.241 -11.498 12.125 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.977 -11.173 13.295 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.480 -8.730 13.132 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.773 -9.084 12.003 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.743 -10.629 13.834 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.592 -9.885 14.926 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.564 -8.228 13.390 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.064 -9.215 16.441 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.916 -7.986 17.382 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -14.660 -6.675 14.623 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -14.371 -6.562 16.362 1.00 0.00 H new ATOM 1077 N GLN A 65 -7.437 -10.371 12.544 1.00 0.00 N ATOM 1078 CA GLN A 65 -6.226 -9.746 13.043 1.00 0.00 C ATOM 1079 C GLN A 65 -5.358 -9.284 11.870 1.00 0.00 C ATOM 1080 O GLN A 65 -4.826 -8.175 11.873 1.00 0.00 O ATOM 1081 CB GLN A 65 -5.473 -10.761 13.907 1.00 0.00 C ATOM 1082 CG GLN A 65 -4.704 -10.163 15.075 1.00 0.00 C ATOM 1083 CD GLN A 65 -3.562 -9.257 14.652 1.00 0.00 C ATOM 1084 OE1 GLN A 65 -3.732 -8.047 14.523 1.00 0.00 O ATOM 1085 NE2 GLN A 65 -2.391 -9.841 14.436 1.00 0.00 N ATOM 0 H GLN A 65 -7.549 -11.343 12.832 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.474 -8.872 13.645 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.188 -11.487 14.295 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.775 -11.308 13.274 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.393 -9.596 15.701 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.307 -10.971 15.689 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.294 -10.849 14.555 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.587 -9.282 14.151 1.00 0.00 H new ATOM 1094 N VAL A 66 -5.248 -10.141 10.859 1.00 0.00 N ATOM 1095 CA VAL A 66 -4.473 -9.834 9.661 1.00 0.00 C ATOM 1096 C VAL A 66 -4.994 -8.574 8.970 1.00 0.00 C ATOM 1097 O VAL A 66 -4.236 -7.635 8.724 1.00 0.00 O ATOM 1098 CB VAL A 66 -4.510 -11.012 8.662 1.00 0.00 C ATOM 1099 CG1 VAL A 66 -3.865 -10.632 7.337 1.00 0.00 C ATOM 1100 CG2 VAL A 66 -3.826 -12.234 9.254 1.00 0.00 C ATOM 0 H VAL A 66 -5.690 -11.060 10.846 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.445 -9.664 9.980 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.555 -11.255 8.470 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.907 -11.481 6.655 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.401 -9.789 6.900 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.825 -10.353 7.506 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.861 -13.054 8.537 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.787 -11.995 9.481 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.339 -12.530 10.169 1.00 0.00 H new ATOM 1110 N ILE A 67 -6.289 -8.557 8.677 1.00 0.00 N ATOM 1111 CA ILE A 67 -6.903 -7.429 7.985 1.00 0.00 C ATOM 1112 C ILE A 67 -6.786 -6.158 8.817 1.00 0.00 C ATOM 1113 O ILE A 67 -6.471 -5.092 8.294 1.00 0.00 O ATOM 1114 CB ILE A 67 -8.390 -7.699 7.662 1.00 0.00 C ATOM 1115 CG1 ILE A 67 -8.523 -8.970 6.815 1.00 0.00 C ATOM 1116 CG2 ILE A 67 -9.000 -6.507 6.932 1.00 0.00 C ATOM 1117 CD1 ILE A 67 -9.957 -9.372 6.538 1.00 0.00 C ATOM 0 H ILE A 67 -6.935 -9.312 8.908 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.365 -7.297 7.046 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.931 -7.844 8.597 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.008 -8.819 5.866 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.017 -9.790 7.325 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.047 -6.713 6.711 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.929 -5.620 7.561 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.460 -6.336 6.001 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.970 -10.279 5.934 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -10.472 -9.556 7.481 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.462 -8.570 6.000 1.00 0.00 H new ATOM 1129 N ASP A 68 -7.024 -6.287 10.117 1.00 0.00 N ATOM 1130 CA ASP A 68 -6.934 -5.156 11.039 1.00 0.00 C ATOM 1131 C ASP A 68 -5.529 -4.564 11.033 1.00 0.00 C ATOM 1132 O ASP A 68 -5.359 -3.348 10.919 1.00 0.00 O ATOM 1133 CB ASP A 68 -7.306 -5.592 12.461 1.00 0.00 C ATOM 1134 CG ASP A 68 -7.235 -4.455 13.468 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -8.256 -3.762 13.661 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -6.168 -4.265 14.088 1.00 0.00 O ATOM 0 H ASP A 68 -7.282 -7.168 10.561 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.637 -4.393 10.705 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.315 -6.004 12.457 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.637 -6.392 12.777 1.00 0.00 H new ATOM 1141 N LYS A 69 -4.527 -5.431 11.125 1.00 0.00 N ATOM 1142 CA LYS A 69 -3.139 -4.992 11.192 1.00 0.00 C ATOM 1143 C LYS A 69 -2.732 -4.284 9.907 1.00 0.00 C ATOM 1144 O LYS A 69 -2.118 -3.219 9.939 1.00 0.00 O ATOM 1145 CB LYS A 69 -2.216 -6.190 11.438 1.00 0.00 C ATOM 1146 CG LYS A 69 -1.027 -5.878 12.340 1.00 0.00 C ATOM 1147 CD LYS A 69 -1.383 -6.016 13.819 1.00 0.00 C ATOM 1148 CE LYS A 69 -2.504 -5.072 14.235 1.00 0.00 C ATOM 1149 NZ LYS A 69 -2.994 -5.357 15.608 1.00 0.00 N ATOM 0 H LYS A 69 -4.651 -6.443 11.155 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.045 -4.290 12.020 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.796 -6.998 11.884 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.847 -6.555 10.479 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.203 -6.550 12.101 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.678 -4.864 12.143 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.682 -7.044 14.024 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.499 -5.815 14.424 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.148 -4.043 14.184 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.331 -5.159 13.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.732 -4.670 15.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.389 -6.319 15.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.205 -5.282 16.281 1.00 0.00 H new ATOM 1163 N ILE A 70 -3.098 -4.878 8.780 1.00 0.00 N ATOM 1164 CA ILE A 70 -2.777 -4.322 7.474 1.00 0.00 C ATOM 1165 C ILE A 70 -3.522 -3.012 7.241 1.00 0.00 C ATOM 1166 O ILE A 70 -2.972 -2.064 6.679 1.00 0.00 O ATOM 1167 CB ILE A 70 -3.086 -5.340 6.354 1.00 0.00 C ATOM 1168 CG1 ILE A 70 -2.095 -6.505 6.448 1.00 0.00 C ATOM 1169 CG2 ILE A 70 -3.033 -4.686 4.977 1.00 0.00 C ATOM 1170 CD1 ILE A 70 -2.281 -7.558 5.383 1.00 0.00 C ATOM 0 H ILE A 70 -3.622 -5.752 8.745 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.708 -4.108 7.451 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.100 -5.717 6.488 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.081 -6.112 6.382 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.192 -6.973 7.428 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.255 -5.430 4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.769 -3.883 4.927 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.037 -4.277 4.807 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.542 -8.347 5.519 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.282 -7.981 5.461 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.153 -7.107 4.399 1.00 0.00 H new ATOM 1182 N LEU A 71 -4.766 -2.962 7.701 1.00 0.00 N ATOM 1183 CA LEU A 71 -5.582 -1.756 7.605 1.00 0.00 C ATOM 1184 C LEU A 71 -4.900 -0.591 8.324 1.00 0.00 C ATOM 1185 O LEU A 71 -4.744 0.495 7.763 1.00 0.00 O ATOM 1186 CB LEU A 71 -6.977 -2.027 8.203 1.00 0.00 C ATOM 1187 CG LEU A 71 -8.009 -0.900 8.070 1.00 0.00 C ATOM 1188 CD1 LEU A 71 -7.875 0.105 9.202 1.00 0.00 C ATOM 1189 CD2 LEU A 71 -7.862 -0.208 6.726 1.00 0.00 C ATOM 0 H LEU A 71 -5.236 -3.749 8.148 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.696 -1.483 6.556 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.384 -2.920 7.729 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.856 -2.256 9.262 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.003 -1.343 8.132 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.620 0.892 9.080 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.032 -0.398 10.156 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.877 0.544 9.183 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.600 0.590 6.645 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.861 0.214 6.642 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.019 -0.931 5.925 1.00 0.00 H new ATOM 1201 N GLU A 72 -4.484 -0.829 9.557 1.00 0.00 N ATOM 1202 CA GLU A 72 -3.821 0.199 10.344 1.00 0.00 C ATOM 1203 C GLU A 72 -2.443 0.523 9.774 1.00 0.00 C ATOM 1204 O GLU A 72 -2.002 1.677 9.808 1.00 0.00 O ATOM 1205 CB GLU A 72 -3.710 -0.232 11.804 1.00 0.00 C ATOM 1206 CG GLU A 72 -5.046 -0.279 12.529 1.00 0.00 C ATOM 1207 CD GLU A 72 -5.773 1.051 12.494 1.00 0.00 C ATOM 1208 OE1 GLU A 72 -5.113 2.099 12.644 1.00 0.00 O ATOM 1209 OE2 GLU A 72 -7.012 1.057 12.328 1.00 0.00 O ATOM 0 H GLU A 72 -4.593 -1.724 10.035 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.427 1.104 10.295 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.247 -1.218 11.849 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.046 0.456 12.328 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.675 -1.045 12.076 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.883 -0.573 13.566 1.00 0.00 H new ATOM 1216 N ASP A 73 -1.765 -0.499 9.259 1.00 0.00 N ATOM 1217 CA ASP A 73 -0.449 -0.324 8.649 1.00 0.00 C ATOM 1218 C ASP A 73 -0.545 0.594 7.444 1.00 0.00 C ATOM 1219 O ASP A 73 0.295 1.467 7.240 1.00 0.00 O ATOM 1220 CB ASP A 73 0.117 -1.661 8.178 1.00 0.00 C ATOM 1221 CG ASP A 73 1.590 -1.807 8.479 1.00 0.00 C ATOM 1222 OD1 ASP A 73 1.962 -1.906 9.666 1.00 0.00 O ATOM 1223 OD2 ASP A 73 2.386 -1.829 7.512 1.00 0.00 O ATOM 0 H ASP A 73 -2.106 -1.460 9.252 1.00 0.00 H new ATOM 0 HA ASP A 73 0.206 0.108 9.406 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.430 -2.472 8.658 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.042 -1.761 7.104 1.00 0.00 H new ATOM 1228 N GLU A 74 -1.585 0.376 6.653 1.00 0.00 N ATOM 1229 CA GLU A 74 -1.796 1.108 5.415 1.00 0.00 C ATOM 1230 C GLU A 74 -1.935 2.608 5.696 1.00 0.00 C ATOM 1231 O GLU A 74 -1.398 3.430 4.956 1.00 0.00 O ATOM 1232 CB GLU A 74 -3.039 0.545 4.704 1.00 0.00 C ATOM 1233 CG GLU A 74 -2.878 0.358 3.197 1.00 0.00 C ATOM 1234 CD GLU A 74 -1.597 -0.368 2.813 1.00 0.00 C ATOM 1235 OE1 GLU A 74 -1.563 -1.626 2.775 1.00 0.00 O ATOM 1236 OE2 GLU A 74 -0.606 0.314 2.528 1.00 0.00 O ATOM 0 H GLU A 74 -2.308 -0.315 6.853 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.934 0.983 4.760 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.293 -0.416 5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.880 1.214 4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.732 -0.200 2.814 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.893 1.335 2.713 1.00 0.00 H new ATOM 1243 N GLU A 75 -2.620 2.962 6.787 1.00 0.00 N ATOM 1244 CA GLU A 75 -2.713 4.359 7.208 1.00 0.00 C ATOM 1245 C GLU A 75 -1.355 4.882 7.674 1.00 0.00 C ATOM 1246 O GLU A 75 -1.017 6.045 7.448 1.00 0.00 O ATOM 1247 CB GLU A 75 -3.742 4.542 8.332 1.00 0.00 C ATOM 1248 CG GLU A 75 -5.177 4.742 7.859 1.00 0.00 C ATOM 1249 CD GLU A 75 -5.307 5.823 6.800 1.00 0.00 C ATOM 1250 OE1 GLU A 75 -4.456 6.734 6.762 1.00 0.00 O ATOM 1251 OE2 GLU A 75 -6.211 5.713 5.950 1.00 0.00 O ATOM 0 H GLU A 75 -3.114 2.304 7.390 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.040 4.931 6.340 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.707 3.668 8.983 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.450 5.401 8.936 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.556 3.802 7.459 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.803 5.001 8.713 1.00 0.00 H new ATOM 1258 N LYS A 76 -0.572 4.021 8.322 1.00 0.00 N ATOM 1259 CA LYS A 76 0.749 4.410 8.812 1.00 0.00 C ATOM 1260 C LYS A 76 1.679 4.752 7.653 1.00 0.00 C ATOM 1261 O LYS A 76 2.526 5.639 7.769 1.00 0.00 O ATOM 1262 CB LYS A 76 1.362 3.307 9.679 1.00 0.00 C ATOM 1263 CG LYS A 76 0.717 3.188 11.048 1.00 0.00 C ATOM 1264 CD LYS A 76 1.392 2.121 11.897 1.00 0.00 C ATOM 1265 CE LYS A 76 0.862 2.132 13.324 1.00 0.00 C ATOM 1266 NZ LYS A 76 1.209 3.393 14.035 1.00 0.00 N ATOM 0 H LYS A 76 -0.828 3.054 8.519 1.00 0.00 H new ATOM 0 HA LYS A 76 0.625 5.300 9.429 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.271 2.354 9.159 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.427 3.502 9.803 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.771 4.149 11.560 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.340 2.947 10.933 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.225 1.140 11.452 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.469 2.288 11.906 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.221 2.009 13.310 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.272 1.283 13.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.095 3.257 15.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.196 3.648 13.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.579 4.156 13.715 1.00 0.00 H new ATOM 1280 N HIS A 77 1.511 4.052 6.537 1.00 0.00 N ATOM 1281 CA HIS A 77 2.274 4.351 5.329 1.00 0.00 C ATOM 1282 C HIS A 77 1.957 5.766 4.866 1.00 0.00 C ATOM 1283 O HIS A 77 2.846 6.559 4.554 1.00 0.00 O ATOM 1284 CB HIS A 77 1.925 3.387 4.196 1.00 0.00 C ATOM 1285 CG HIS A 77 2.132 1.944 4.510 1.00 0.00 C ATOM 1286 ND1 HIS A 77 1.578 0.930 3.768 1.00 0.00 N ATOM 1287 CD2 HIS A 77 2.830 1.346 5.508 1.00 0.00 C ATOM 1288 CE1 HIS A 77 1.933 -0.228 4.325 1.00 0.00 C ATOM 1289 NE2 HIS A 77 2.698 -0.041 5.389 1.00 0.00 N ATOM 0 H HIS A 77 0.856 3.276 6.443 1.00 0.00 H new ATOM 0 HA HIS A 77 3.332 4.247 5.570 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.881 3.537 3.920 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.526 3.643 3.323 1.00 0.00 H new ATOM 0 HD1 HIS A 77 0.997 1.043 2.937 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.396 1.859 6.271 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.634 -1.197 3.955 1.00 0.00 H new ATOM 1296 N ILE A 78 0.665 6.063 4.831 1.00 0.00 N ATOM 1297 CA ILE A 78 0.172 7.371 4.441 1.00 0.00 C ATOM 1298 C ILE A 78 0.688 8.440 5.396 1.00 0.00 C ATOM 1299 O ILE A 78 1.034 9.545 4.980 1.00 0.00 O ATOM 1300 CB ILE A 78 -1.369 7.387 4.427 1.00 0.00 C ATOM 1301 CG1 ILE A 78 -1.891 6.223 3.589 1.00 0.00 C ATOM 1302 CG2 ILE A 78 -1.888 8.709 3.881 1.00 0.00 C ATOM 1303 CD1 ILE A 78 -3.378 5.995 3.725 1.00 0.00 C ATOM 0 H ILE A 78 -0.071 5.399 5.074 1.00 0.00 H new ATOM 0 HA ILE A 78 0.536 7.585 3.436 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.730 7.278 5.450 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.655 6.407 2.541 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.365 5.313 3.879 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.978 8.699 3.880 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.533 9.526 4.509 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.525 8.850 2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.675 5.152 3.101 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.619 5.779 4.766 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.914 6.889 3.407 1.00 0.00 H new ATOM 1315 N GLU A 79 0.747 8.099 6.680 1.00 0.00 N ATOM 1316 CA GLU A 79 1.302 8.995 7.686 1.00 0.00 C ATOM 1317 C GLU A 79 2.730 9.383 7.324 1.00 0.00 C ATOM 1318 O GLU A 79 3.108 10.553 7.424 1.00 0.00 O ATOM 1319 CB GLU A 79 1.262 8.349 9.075 1.00 0.00 C ATOM 1320 CG GLU A 79 -0.124 8.325 9.700 1.00 0.00 C ATOM 1321 CD GLU A 79 -0.627 9.711 10.060 1.00 0.00 C ATOM 1322 OE1 GLU A 79 -0.196 10.694 9.425 1.00 0.00 O ATOM 1323 OE2 GLU A 79 -1.459 9.828 10.979 1.00 0.00 O ATOM 0 H GLU A 79 0.416 7.207 7.048 1.00 0.00 H new ATOM 0 HA GLU A 79 0.690 9.897 7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.635 7.327 9.001 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.940 8.889 9.736 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.823 7.858 9.006 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -0.103 7.706 10.597 1.00 0.00 H new ATOM 1330 N TRP A 80 3.509 8.401 6.887 1.00 0.00 N ATOM 1331 CA TRP A 80 4.868 8.649 6.435 1.00 0.00 C ATOM 1332 C TRP A 80 4.870 9.519 5.179 1.00 0.00 C ATOM 1333 O TRP A 80 5.517 10.564 5.146 1.00 0.00 O ATOM 1334 CB TRP A 80 5.594 7.325 6.164 1.00 0.00 C ATOM 1335 CG TRP A 80 6.888 7.496 5.433 1.00 0.00 C ATOM 1336 CD1 TRP A 80 7.268 6.842 4.303 1.00 0.00 C ATOM 1337 CD2 TRP A 80 7.959 8.389 5.764 1.00 0.00 C ATOM 1338 NE1 TRP A 80 8.511 7.269 3.904 1.00 0.00 N ATOM 1339 CE2 TRP A 80 8.955 8.220 4.785 1.00 0.00 C ATOM 1340 CE3 TRP A 80 8.173 9.315 6.792 1.00 0.00 C ATOM 1341 CZ2 TRP A 80 10.145 8.941 4.803 1.00 0.00 C ATOM 1342 CZ3 TRP A 80 9.355 10.031 6.807 1.00 0.00 C ATOM 1343 CH2 TRP A 80 10.325 9.844 5.817 1.00 0.00 C ATOM 0 H TRP A 80 3.220 7.424 6.837 1.00 0.00 H new ATOM 0 HA TRP A 80 5.397 9.182 7.225 1.00 0.00 H new ATOM 0 HB2 TRP A 80 5.785 6.823 7.113 1.00 0.00 H new ATOM 0 HB3 TRP A 80 4.941 6.673 5.584 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.678 6.095 3.793 1.00 0.00 H new ATOM 0 HE1 TRP A 80 9.020 6.933 3.086 1.00 0.00 H new ATOM 0 HE3 TRP A 80 7.428 9.467 7.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 10.900 8.794 4.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 9.533 10.747 7.596 1.00 0.00 H new ATOM 0 HH2 TRP A 80 11.235 10.424 5.853 1.00 0.00 H new ATOM 1354 N HIS A 81 4.134 9.097 4.154 1.00 0.00 N ATOM 1355 CA HIS A 81 4.111 9.818 2.885 1.00 0.00 C ATOM 1356 C HIS A 81 3.630 11.259 3.037 1.00 0.00 C ATOM 1357 O HIS A 81 4.137 12.153 2.363 1.00 0.00 O ATOM 1358 CB HIS A 81 3.263 9.078 1.851 1.00 0.00 C ATOM 1359 CG HIS A 81 4.013 7.970 1.183 1.00 0.00 C ATOM 1360 ND1 HIS A 81 4.887 8.172 0.139 1.00 0.00 N ATOM 1361 CD2 HIS A 81 4.043 6.640 1.446 1.00 0.00 C ATOM 1362 CE1 HIS A 81 5.412 6.989 -0.195 1.00 0.00 C ATOM 1363 NE2 HIS A 81 4.936 6.024 0.569 1.00 0.00 N ATOM 0 H HIS A 81 3.548 8.263 4.177 1.00 0.00 H new ATOM 0 HA HIS A 81 5.142 9.859 2.532 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.376 8.671 2.337 1.00 0.00 H new ATOM 0 HB3 HIS A 81 2.917 9.785 1.097 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.468 6.139 2.211 1.00 0.00 H new ATOM 0 HE1 HIS A 81 6.132 6.842 -0.987 1.00 0.00 H new ATOM 0 HE2 HIS A 81 5.172 5.033 0.527 1.00 0.00 H new ATOM 1371 N LYS A 82 2.667 11.494 3.919 1.00 0.00 N ATOM 1372 CA LYS A 82 2.187 12.853 4.160 1.00 0.00 C ATOM 1373 C LYS A 82 3.260 13.689 4.857 1.00 0.00 C ATOM 1374 O LYS A 82 3.411 14.876 4.580 1.00 0.00 O ATOM 1375 CB LYS A 82 0.889 12.851 4.972 1.00 0.00 C ATOM 1376 CG LYS A 82 -0.291 12.261 4.209 1.00 0.00 C ATOM 1377 CD LYS A 82 -1.618 12.409 4.952 1.00 0.00 C ATOM 1378 CE LYS A 82 -1.698 11.527 6.196 1.00 0.00 C ATOM 1379 NZ LYS A 82 -0.898 12.064 7.325 1.00 0.00 N ATOM 0 H LYS A 82 2.206 10.773 4.474 1.00 0.00 H new ATOM 0 HA LYS A 82 1.972 13.306 3.192 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.042 12.283 5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.650 13.873 5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.369 12.749 3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.103 11.204 4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.754 13.451 5.241 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.437 12.156 4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.739 11.433 6.505 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.347 10.525 5.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.177 11.587 8.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.112 11.895 7.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.068 13.086 7.416 1.00 0.00 H new ATOM 1393 N ALA A 83 4.016 13.061 5.748 1.00 0.00 N ATOM 1394 CA ALA A 83 5.118 13.738 6.420 1.00 0.00 C ATOM 1395 C ALA A 83 6.270 13.995 5.446 1.00 0.00 C ATOM 1396 O ALA A 83 6.958 15.012 5.531 1.00 0.00 O ATOM 1397 CB ALA A 83 5.598 12.917 7.607 1.00 0.00 C ATOM 0 H ALA A 83 3.887 12.087 6.022 1.00 0.00 H new ATOM 0 HA ALA A 83 4.759 14.700 6.785 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.421 13.435 8.099 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.778 12.785 8.313 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.939 11.941 7.261 1.00 0.00 H new ATOM 1403 N ALA A 84 6.473 13.060 4.523 1.00 0.00 N ATOM 1404 CA ALA A 84 7.522 13.178 3.515 1.00 0.00 C ATOM 1405 C ALA A 84 7.133 14.164 2.414 1.00 0.00 C ATOM 1406 O ALA A 84 7.970 14.562 1.604 1.00 0.00 O ATOM 1407 CB ALA A 84 7.835 11.812 2.914 1.00 0.00 C ATOM 0 H ALA A 84 5.920 12.206 4.452 1.00 0.00 H new ATOM 0 HA ALA A 84 8.415 13.563 4.008 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.619 11.916 2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.172 11.137 3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.938 11.406 2.447 1.00 0.00 H new ATOM 1484 N ALA A 90 15.926 12.098 -3.388 1.00 0.00 N ATOM 1485 CA ALA A 90 16.047 10.989 -4.324 1.00 0.00 C ATOM 1486 C ALA A 90 16.734 9.788 -3.684 1.00 0.00 C ATOM 1487 O ALA A 90 16.114 8.743 -3.494 1.00 0.00 O ATOM 1488 CB ALA A 90 16.794 11.429 -5.576 1.00 0.00 C ATOM 0 HA ALA A 90 15.040 10.681 -4.606 1.00 0.00 H new ATOM 0 HB1 ALA A 90 16.876 10.588 -6.265 1.00 0.00 H new ATOM 0 HB2 ALA A 90 16.250 12.242 -6.058 1.00 0.00 H new ATOM 0 HB3 ALA A 90 17.792 11.772 -5.303 1.00 0.00 H new ATOM 1494 N GLU A 91 18.002 9.947 -3.326 1.00 0.00 N ATOM 1495 CA GLU A 91 18.805 8.834 -2.819 1.00 0.00 C ATOM 1496 C GLU A 91 18.250 8.290 -1.507 1.00 0.00 C ATOM 1497 O GLU A 91 18.103 7.081 -1.337 1.00 0.00 O ATOM 1498 CB GLU A 91 20.254 9.269 -2.628 1.00 0.00 C ATOM 1499 CG GLU A 91 20.902 9.780 -3.900 1.00 0.00 C ATOM 1500 CD GLU A 91 22.359 10.127 -3.708 1.00 0.00 C ATOM 1501 OE1 GLU A 91 22.653 11.258 -3.269 1.00 0.00 O ATOM 1502 OE2 GLU A 91 23.219 9.266 -3.995 1.00 0.00 O ATOM 0 H GLU A 91 18.500 10.836 -3.376 1.00 0.00 H new ATOM 0 HA GLU A 91 18.762 8.035 -3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 91 20.294 10.051 -1.869 1.00 0.00 H new ATOM 0 HB3 GLU A 91 20.832 8.426 -2.248 1.00 0.00 H new ATOM 0 HG2 GLU A 91 20.812 9.023 -4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 91 20.365 10.662 -4.249 1.00 0.00 H new ATOM 1509 N GLN A 92 17.947 9.187 -0.581 1.00 0.00 N ATOM 1510 CA GLN A 92 17.362 8.797 0.696 1.00 0.00 C ATOM 1511 C GLN A 92 15.947 8.272 0.480 1.00 0.00 C ATOM 1512 O GLN A 92 15.522 7.296 1.097 1.00 0.00 O ATOM 1513 CB GLN A 92 17.330 9.995 1.644 1.00 0.00 C ATOM 1514 CG GLN A 92 16.794 9.671 3.029 1.00 0.00 C ATOM 1515 CD GLN A 92 16.486 10.917 3.835 1.00 0.00 C ATOM 1516 OE1 GLN A 92 16.113 11.949 3.280 1.00 0.00 O ATOM 1517 NE2 GLN A 92 16.638 10.831 5.147 1.00 0.00 N ATOM 0 H GLN A 92 18.096 10.190 -0.688 1.00 0.00 H new ATOM 0 HA GLN A 92 17.972 8.009 1.138 1.00 0.00 H new ATOM 0 HB2 GLN A 92 18.339 10.396 1.740 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.716 10.779 1.202 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.890 9.070 2.934 1.00 0.00 H new ATOM 0 HG3 GLN A 92 17.524 9.066 3.566 1.00 0.00 H new ATOM 0 HE21 GLN A 92 16.950 9.956 5.568 1.00 0.00 H new ATOM 0 HE22 GLN A 92 16.444 11.640 5.737 1.00 0.00 H new ATOM 1526 N PHE A 93 15.243 8.930 -0.428 1.00 0.00 N ATOM 1527 CA PHE A 93 13.855 8.615 -0.730 1.00 0.00 C ATOM 1528 C PHE A 93 13.720 7.190 -1.258 1.00 0.00 C ATOM 1529 O PHE A 93 12.910 6.415 -0.761 1.00 0.00 O ATOM 1530 CB PHE A 93 13.334 9.632 -1.750 1.00 0.00 C ATOM 1531 CG PHE A 93 11.882 9.485 -2.113 1.00 0.00 C ATOM 1532 CD1 PHE A 93 10.886 9.754 -1.186 1.00 0.00 C ATOM 1533 CD2 PHE A 93 11.514 9.095 -3.390 1.00 0.00 C ATOM 1534 CE1 PHE A 93 9.553 9.630 -1.527 1.00 0.00 C ATOM 1535 CE2 PHE A 93 10.183 8.971 -3.735 1.00 0.00 C ATOM 1536 CZ PHE A 93 9.201 9.240 -2.805 1.00 0.00 C ATOM 0 H PHE A 93 15.620 9.701 -0.979 1.00 0.00 H new ATOM 0 HA PHE A 93 13.260 8.676 0.181 1.00 0.00 H new ATOM 0 HB2 PHE A 93 13.494 10.635 -1.354 1.00 0.00 H new ATOM 0 HB3 PHE A 93 13.930 9.550 -2.659 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.155 10.064 -0.187 1.00 0.00 H new ATOM 0 HD2 PHE A 93 12.277 8.885 -4.125 1.00 0.00 H new ATOM 0 HE1 PHE A 93 8.786 9.838 -0.795 1.00 0.00 H new ATOM 0 HE2 PHE A 93 9.911 8.663 -4.734 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.159 9.146 -3.075 1.00 0.00 H new ATOM 1546 N ALA A 94 14.540 6.840 -2.243 1.00 0.00 N ATOM 1547 CA ALA A 94 14.471 5.525 -2.875 1.00 0.00 C ATOM 1548 C ALA A 94 14.856 4.412 -1.903 1.00 0.00 C ATOM 1549 O ALA A 94 14.448 3.265 -2.068 1.00 0.00 O ATOM 1550 CB ALA A 94 15.361 5.487 -4.109 1.00 0.00 C ATOM 0 H ALA A 94 15.263 7.450 -2.623 1.00 0.00 H new ATOM 0 HA ALA A 94 13.438 5.354 -3.177 1.00 0.00 H new ATOM 0 HB1 ALA A 94 15.301 4.502 -4.571 1.00 0.00 H new ATOM 0 HB2 ALA A 94 15.028 6.242 -4.821 1.00 0.00 H new ATOM 0 HB3 ALA A 94 16.392 5.690 -3.820 1.00 0.00 H new ATOM 1556 N SER A 95 15.641 4.739 -0.892 1.00 0.00 N ATOM 1557 CA SER A 95 15.948 3.776 0.151 1.00 0.00 C ATOM 1558 C SER A 95 14.722 3.556 1.035 1.00 0.00 C ATOM 1559 O SER A 95 14.386 2.426 1.387 1.00 0.00 O ATOM 1560 CB SER A 95 17.140 4.252 0.987 1.00 0.00 C ATOM 1561 OG SER A 95 18.293 4.412 0.175 1.00 0.00 O ATOM 0 H SER A 95 16.074 5.655 -0.771 1.00 0.00 H new ATOM 0 HA SER A 95 16.218 2.828 -0.314 1.00 0.00 H new ATOM 0 HB2 SER A 95 16.896 5.198 1.471 1.00 0.00 H new ATOM 0 HB3 SER A 95 17.345 3.532 1.780 1.00 0.00 H new ATOM 0 HG SER A 95 18.236 5.261 -0.311 1.00 0.00 H new ATOM 1567 N LEU A 96 14.040 4.648 1.356 1.00 0.00 N ATOM 1568 CA LEU A 96 12.871 4.609 2.226 1.00 0.00 C ATOM 1569 C LEU A 96 11.658 3.997 1.518 1.00 0.00 C ATOM 1570 O LEU A 96 10.847 3.320 2.148 1.00 0.00 O ATOM 1571 CB LEU A 96 12.556 6.021 2.728 1.00 0.00 C ATOM 1572 CG LEU A 96 13.668 6.656 3.570 1.00 0.00 C ATOM 1573 CD1 LEU A 96 13.329 8.093 3.921 1.00 0.00 C ATOM 1574 CD2 LEU A 96 13.908 5.848 4.836 1.00 0.00 C ATOM 0 H LEU A 96 14.280 5.582 1.023 1.00 0.00 H new ATOM 0 HA LEU A 96 13.099 3.969 3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 96 12.356 6.662 1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 96 11.642 5.987 3.321 1.00 0.00 H new ATOM 0 HG LEU A 96 14.582 6.654 2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 96 14.134 8.521 4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 96 13.209 8.673 3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 96 12.400 8.119 4.491 1.00 0.00 H new ATOM 0 HD21 LEU A 96 14.701 6.315 5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 96 12.992 5.816 5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 96 14.203 4.833 4.569 1.00 0.00 H new ATOM 1586 N VAL A 97 11.540 4.224 0.210 1.00 0.00 N ATOM 1587 CA VAL A 97 10.435 3.657 -0.562 1.00 0.00 C ATOM 1588 C VAL A 97 10.502 2.131 -0.566 1.00 0.00 C ATOM 1589 O VAL A 97 9.476 1.458 -0.534 1.00 0.00 O ATOM 1590 CB VAL A 97 10.389 4.191 -2.016 1.00 0.00 C ATOM 1591 CG1 VAL A 97 10.230 5.700 -2.032 1.00 0.00 C ATOM 1592 CG2 VAL A 97 11.608 3.765 -2.809 1.00 0.00 C ATOM 0 H VAL A 97 12.190 4.792 -0.334 1.00 0.00 H new ATOM 0 HA VAL A 97 9.516 3.975 -0.069 1.00 0.00 H new ATOM 0 HB VAL A 97 9.517 3.750 -2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 97 10.200 6.052 -3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 97 9.303 5.974 -1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.073 6.160 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.538 4.159 -3.823 1.00 0.00 H new ATOM 0 HG22 VAL A 97 12.507 4.152 -2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.656 2.677 -2.845 1.00 0.00 H new ATOM 1602 N GLN A 98 11.722 1.595 -0.586 1.00 0.00 N ATOM 1603 CA GLN A 98 11.938 0.150 -0.548 1.00 0.00 C ATOM 1604 C GLN A 98 11.303 -0.473 0.693 1.00 0.00 C ATOM 1605 O GLN A 98 10.843 -1.613 0.657 1.00 0.00 O ATOM 1606 CB GLN A 98 13.432 -0.167 -0.594 1.00 0.00 C ATOM 1607 CG GLN A 98 14.049 0.035 -1.968 1.00 0.00 C ATOM 1608 CD GLN A 98 15.559 -0.053 -1.949 1.00 0.00 C ATOM 1609 OE1 GLN A 98 16.133 -1.131 -2.087 1.00 0.00 O ATOM 1610 NE2 GLN A 98 16.210 1.084 -1.796 1.00 0.00 N ATOM 0 H GLN A 98 12.580 2.144 -0.629 1.00 0.00 H new ATOM 0 HA GLN A 98 11.458 -0.283 -1.426 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.952 0.464 0.126 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.587 -1.200 -0.283 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.654 -0.715 -2.653 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.751 1.009 -2.356 1.00 0.00 H new ATOM 0 HE21 GLN A 98 15.693 1.956 -1.685 1.00 0.00 H new ATOM 0 HE22 GLN A 98 17.230 1.091 -1.789 1.00 0.00 H new ATOM 1619 N GLN A 99 11.274 0.285 1.786 1.00 0.00 N ATOM 1620 CA GLN A 99 10.656 -0.172 3.021 1.00 0.00 C ATOM 1621 C GLN A 99 9.164 -0.407 2.788 1.00 0.00 C ATOM 1622 O GLN A 99 8.617 -1.427 3.200 1.00 0.00 O ATOM 1623 CB GLN A 99 10.889 0.887 4.106 1.00 0.00 C ATOM 1624 CG GLN A 99 10.742 0.397 5.540 1.00 0.00 C ATOM 1625 CD GLN A 99 9.300 0.298 6.004 1.00 0.00 C ATOM 1626 OE1 GLN A 99 8.667 -0.750 5.890 1.00 0.00 O ATOM 1627 NE2 GLN A 99 8.771 1.389 6.539 1.00 0.00 N ATOM 0 H GLN A 99 11.674 1.222 1.838 1.00 0.00 H new ATOM 0 HA GLN A 99 11.098 -1.114 3.347 1.00 0.00 H new ATOM 0 HB2 GLN A 99 11.892 1.296 3.981 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.188 1.706 3.946 1.00 0.00 H new ATOM 0 HG2 GLN A 99 11.212 -0.582 5.630 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.283 1.072 6.203 1.00 0.00 H new ATOM 0 HE21 GLN A 99 9.328 2.240 6.617 1.00 0.00 H new ATOM 0 HE22 GLN A 99 7.807 1.377 6.873 1.00 0.00 H new ATOM 1636 N HIS A 100 8.533 0.517 2.069 1.00 0.00 N ATOM 1637 CA HIS A 100 7.114 0.410 1.736 1.00 0.00 C ATOM 1638 C HIS A 100 6.894 -0.770 0.788 1.00 0.00 C ATOM 1639 O HIS A 100 5.948 -1.538 0.945 1.00 0.00 O ATOM 1640 CB HIS A 100 6.637 1.720 1.088 1.00 0.00 C ATOM 1641 CG HIS A 100 5.149 1.950 1.114 1.00 0.00 C ATOM 1642 ND1 HIS A 100 4.577 3.190 0.935 1.00 0.00 N ATOM 1643 CD2 HIS A 100 4.113 1.088 1.291 1.00 0.00 C ATOM 1644 CE1 HIS A 100 3.251 3.054 1.002 1.00 0.00 C ATOM 1645 NE2 HIS A 100 2.907 1.795 1.219 1.00 0.00 N ATOM 0 H HIS A 100 8.985 1.355 1.703 1.00 0.00 H new ATOM 0 HA HIS A 100 6.537 0.238 2.645 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.125 2.554 1.593 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.972 1.735 0.051 1.00 0.00 H new ATOM 0 HD2 HIS A 100 4.206 0.025 1.460 1.00 0.00 H new ATOM 0 HE1 HIS A 100 2.549 3.867 0.893 1.00 0.00 H new ATOM 0 HE2 HIS A 100 1.963 1.419 1.314 1.00 0.00 H new ATOM 1653 N LEU A 101 7.797 -0.916 -0.180 1.00 0.00 N ATOM 1654 CA LEU A 101 7.727 -2.011 -1.144 1.00 0.00 C ATOM 1655 C LEU A 101 7.777 -3.370 -0.452 1.00 0.00 C ATOM 1656 O LEU A 101 6.967 -4.248 -0.737 1.00 0.00 O ATOM 1657 CB LEU A 101 8.872 -1.913 -2.157 1.00 0.00 C ATOM 1658 CG LEU A 101 8.563 -1.148 -3.447 1.00 0.00 C ATOM 1659 CD1 LEU A 101 7.387 -1.777 -4.174 1.00 0.00 C ATOM 1660 CD2 LEU A 101 8.283 0.318 -3.161 1.00 0.00 C ATOM 0 H LEU A 101 8.588 -0.287 -0.317 1.00 0.00 H new ATOM 0 HA LEU A 101 6.774 -1.922 -1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.722 -1.436 -1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.183 -2.923 -2.423 1.00 0.00 H new ATOM 0 HG LEU A 101 9.442 -1.207 -4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.183 -1.219 -5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.625 -2.810 -4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.507 -1.754 -3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.067 0.836 -4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.426 0.401 -2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 101 9.156 0.770 -2.689 1.00 0.00 H new ATOM 1672 N GLN A 102 8.735 -3.538 0.455 1.00 0.00 N ATOM 1673 CA GLN A 102 8.879 -4.783 1.192 1.00 0.00 C ATOM 1674 C GLN A 102 7.699 -4.991 2.130 1.00 0.00 C ATOM 1675 O GLN A 102 7.239 -6.115 2.333 1.00 0.00 O ATOM 1676 CB GLN A 102 10.180 -4.780 1.994 1.00 0.00 C ATOM 1677 CG GLN A 102 11.435 -4.875 1.143 1.00 0.00 C ATOM 1678 CD GLN A 102 12.697 -4.934 1.984 1.00 0.00 C ATOM 1679 OE1 GLN A 102 12.680 -5.418 3.117 1.00 0.00 O ATOM 1680 NE2 GLN A 102 13.801 -4.450 1.434 1.00 0.00 N ATOM 0 H GLN A 102 9.423 -2.824 0.695 1.00 0.00 H new ATOM 0 HA GLN A 102 8.905 -5.601 0.473 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.225 -3.867 2.588 1.00 0.00 H new ATOM 0 HB3 GLN A 102 10.165 -5.616 2.694 1.00 0.00 H new ATOM 0 HG2 GLN A 102 11.378 -5.763 0.514 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.485 -4.014 0.476 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.772 -4.058 0.493 1.00 0.00 H new ATOM 0 HE22 GLN A 102 14.680 -4.470 1.952 1.00 0.00 H new ATOM 1689 N ASP A 103 7.213 -3.897 2.694 1.00 0.00 N ATOM 1690 CA ASP A 103 6.103 -3.943 3.631 1.00 0.00 C ATOM 1691 C ASP A 103 4.833 -4.472 2.970 1.00 0.00 C ATOM 1692 O ASP A 103 4.176 -5.359 3.508 1.00 0.00 O ATOM 1693 CB ASP A 103 5.849 -2.554 4.214 1.00 0.00 C ATOM 1694 CG ASP A 103 4.604 -2.500 5.070 1.00 0.00 C ATOM 1695 OD1 ASP A 103 3.492 -2.517 4.552 1.00 0.00 O ATOM 1696 OD2 ASP A 103 4.678 -2.411 6.295 1.00 0.00 O ATOM 0 H ASP A 103 7.574 -2.959 2.517 1.00 0.00 H new ATOM 0 HA ASP A 103 6.374 -4.629 4.434 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.709 -2.252 4.811 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.757 -1.834 3.401 1.00 0.00 H new ATOM 1701 N GLU A 104 4.486 -3.929 1.810 1.00 0.00 N ATOM 1702 CA GLU A 104 3.267 -4.342 1.121 1.00 0.00 C ATOM 1703 C GLU A 104 3.383 -5.787 0.645 1.00 0.00 C ATOM 1704 O GLU A 104 2.380 -6.486 0.524 1.00 0.00 O ATOM 1705 CB GLU A 104 2.958 -3.420 -0.057 1.00 0.00 C ATOM 1706 CG GLU A 104 2.854 -1.950 0.324 1.00 0.00 C ATOM 1707 CD GLU A 104 1.601 -1.577 1.110 1.00 0.00 C ATOM 1708 OE1 GLU A 104 0.903 -2.468 1.670 1.00 0.00 O ATOM 1709 OE2 GLU A 104 1.309 -0.365 1.195 1.00 0.00 O ATOM 0 H GLU A 104 5.024 -3.208 1.329 1.00 0.00 H new ATOM 0 HA GLU A 104 2.443 -4.272 1.831 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.737 -3.536 -0.811 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.020 -3.734 -0.516 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.729 -1.680 0.915 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.886 -1.351 -0.586 1.00 0.00 H new ATOM 1716 N GLN A 105 4.607 -6.239 0.387 1.00 0.00 N ATOM 1717 CA GLN A 105 4.832 -7.642 0.057 1.00 0.00 C ATOM 1718 C GLN A 105 4.528 -8.508 1.271 1.00 0.00 C ATOM 1719 O GLN A 105 3.940 -9.579 1.148 1.00 0.00 O ATOM 1720 CB GLN A 105 6.264 -7.874 -0.430 1.00 0.00 C ATOM 1721 CG GLN A 105 6.581 -7.145 -1.725 1.00 0.00 C ATOM 1722 CD GLN A 105 7.973 -7.438 -2.256 1.00 0.00 C ATOM 1723 OE1 GLN A 105 8.512 -8.532 -2.076 1.00 0.00 O ATOM 1724 NE2 GLN A 105 8.568 -6.454 -2.911 1.00 0.00 N ATOM 0 H GLN A 105 5.448 -5.662 0.400 1.00 0.00 H new ATOM 0 HA GLN A 105 4.162 -7.920 -0.756 1.00 0.00 H new ATOM 0 HB2 GLN A 105 6.961 -7.549 0.342 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.423 -8.943 -0.574 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.846 -7.424 -2.480 1.00 0.00 H new ATOM 0 HG3 GLN A 105 6.480 -6.072 -1.563 1.00 0.00 H new ATOM 0 HE21 GLN A 105 8.088 -5.563 -3.039 1.00 0.00 H new ATOM 0 HE22 GLN A 105 9.506 -6.587 -3.288 1.00 0.00 H new ATOM 1733 N ARG A 106 4.911 -8.017 2.448 1.00 0.00 N ATOM 1734 CA ARG A 106 4.545 -8.654 3.709 1.00 0.00 C ATOM 1735 C ARG A 106 3.031 -8.659 3.874 1.00 0.00 C ATOM 1736 O ARG A 106 2.450 -9.630 4.362 1.00 0.00 O ATOM 1737 CB ARG A 106 5.194 -7.918 4.887 1.00 0.00 C ATOM 1738 CG ARG A 106 6.455 -8.577 5.421 1.00 0.00 C ATOM 1739 CD ARG A 106 6.128 -9.649 6.454 1.00 0.00 C ATOM 1740 NE ARG A 106 5.404 -10.786 5.885 1.00 0.00 N ATOM 1741 CZ ARG A 106 4.417 -11.431 6.507 1.00 0.00 C ATOM 1742 NH1 ARG A 106 3.977 -11.013 7.691 1.00 0.00 N ATOM 1743 NH2 ARG A 106 3.866 -12.496 5.943 1.00 0.00 N ATOM 0 H ARG A 106 5.478 -7.175 2.553 1.00 0.00 H new ATOM 0 HA ARG A 106 4.905 -9.683 3.695 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.434 -6.901 4.577 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.468 -7.842 5.696 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.012 -9.022 4.596 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.100 -7.822 5.870 1.00 0.00 H new ATOM 0 HD2 ARG A 106 7.054 -10.004 6.907 1.00 0.00 H new ATOM 0 HD3 ARG A 106 5.531 -9.207 7.252 1.00 0.00 H new ATOM 0 HE ARG A 106 5.671 -11.105 4.954 1.00 0.00 H new ATOM 0 HH11 ARG A 106 4.395 -10.193 8.130 1.00 0.00 H new ATOM 0 HH12 ARG A 106 3.221 -11.513 8.160 1.00 0.00 H new ATOM 0 HH21 ARG A 106 4.197 -12.821 5.035 1.00 0.00 H new ATOM 0 HH22 ARG A 106 3.111 -12.991 6.417 1.00 0.00 H new ATOM 1757 N HIS A 107 2.400 -7.563 3.459 1.00 0.00 N ATOM 1758 CA HIS A 107 0.947 -7.459 3.472 1.00 0.00 C ATOM 1759 C HIS A 107 0.335 -8.550 2.593 1.00 0.00 C ATOM 1760 O HIS A 107 -0.548 -9.283 3.028 1.00 0.00 O ATOM 1761 CB HIS A 107 0.487 -6.069 2.995 1.00 0.00 C ATOM 1762 CG HIS A 107 0.678 -4.974 4.008 1.00 0.00 C ATOM 1763 ND1 HIS A 107 -0.060 -3.798 4.036 1.00 0.00 N ATOM 1764 CD2 HIS A 107 1.530 -4.907 5.062 1.00 0.00 C ATOM 1765 CE1 HIS A 107 0.362 -3.082 5.099 1.00 0.00 C ATOM 1766 NE2 HIS A 107 1.332 -3.704 5.745 1.00 0.00 N ATOM 0 H HIS A 107 2.877 -6.732 3.108 1.00 0.00 H new ATOM 0 HA HIS A 107 0.604 -7.594 4.498 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.034 -5.809 2.089 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -0.568 -6.120 2.727 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.250 -5.666 5.331 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -0.042 -2.122 5.385 1.00 0.00 H new ATOM 0 HE2 HIS A 107 1.832 -3.375 6.571 1.00 0.00 H new ATOM 1773 N VAL A 108 0.838 -8.670 1.366 1.00 0.00 N ATOM 1774 CA VAL A 108 0.341 -9.664 0.417 1.00 0.00 C ATOM 1775 C VAL A 108 0.547 -11.087 0.941 1.00 0.00 C ATOM 1776 O VAL A 108 -0.337 -11.936 0.796 1.00 0.00 O ATOM 1777 CB VAL A 108 1.019 -9.519 -0.969 1.00 0.00 C ATOM 1778 CG1 VAL A 108 0.571 -10.623 -1.917 1.00 0.00 C ATOM 1779 CG2 VAL A 108 0.717 -8.153 -1.570 1.00 0.00 C ATOM 0 H VAL A 108 1.593 -8.088 1.004 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.727 -9.481 0.303 1.00 0.00 H new ATOM 0 HB VAL A 108 2.096 -9.610 -0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.063 -10.496 -2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.839 -11.593 -1.498 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.510 -10.571 -2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.201 -8.069 -2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.360 -8.038 -1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.094 -7.373 -0.908 1.00 0.00 H new ATOM 1789 N GLU A 109 1.703 -11.344 1.552 1.00 0.00 N ATOM 1790 CA GLU A 109 1.980 -12.653 2.144 1.00 0.00 C ATOM 1791 C GLU A 109 0.915 -13.005 3.169 1.00 0.00 C ATOM 1792 O GLU A 109 0.404 -14.120 3.197 1.00 0.00 O ATOM 1793 CB GLU A 109 3.336 -12.673 2.847 1.00 0.00 C ATOM 1794 CG GLU A 109 4.529 -12.454 1.946 1.00 0.00 C ATOM 1795 CD GLU A 109 5.826 -12.554 2.717 1.00 0.00 C ATOM 1796 OE1 GLU A 109 6.139 -11.626 3.487 1.00 0.00 O ATOM 1797 OE2 GLU A 109 6.529 -13.577 2.576 1.00 0.00 O ATOM 0 H GLU A 109 2.460 -10.667 1.650 1.00 0.00 H new ATOM 0 HA GLU A 109 1.983 -13.378 1.330 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.338 -11.905 3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.452 -13.632 3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.522 -13.192 1.144 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.457 -11.473 1.476 1.00 0.00 H new ATOM 1804 N GLU A 110 0.592 -12.033 4.006 1.00 0.00 N ATOM 1805 CA GLU A 110 -0.345 -12.239 5.093 1.00 0.00 C ATOM 1806 C GLU A 110 -1.766 -12.424 4.555 1.00 0.00 C ATOM 1807 O GLU A 110 -2.587 -13.108 5.166 1.00 0.00 O ATOM 1808 CB GLU A 110 -0.273 -11.061 6.070 1.00 0.00 C ATOM 1809 CG GLU A 110 -0.489 -11.459 7.522 1.00 0.00 C ATOM 1810 CD GLU A 110 0.519 -12.482 8.004 1.00 0.00 C ATOM 1811 OE1 GLU A 110 0.277 -13.694 7.820 1.00 0.00 O ATOM 1812 OE2 GLU A 110 1.561 -12.087 8.576 1.00 0.00 O ATOM 0 H GLU A 110 0.969 -11.087 3.951 1.00 0.00 H new ATOM 0 HA GLU A 110 -0.074 -13.150 5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 110 0.701 -10.580 5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -1.023 -10.321 5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -0.428 -10.571 8.151 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -1.495 -11.863 7.638 1.00 0.00 H new ATOM 1819 N ILE A 111 -2.049 -11.812 3.412 1.00 0.00 N ATOM 1820 CA ILE A 111 -3.360 -11.940 2.782 1.00 0.00 C ATOM 1821 C ILE A 111 -3.467 -13.240 1.983 1.00 0.00 C ATOM 1822 O ILE A 111 -4.228 -14.143 2.339 1.00 0.00 O ATOM 1823 CB ILE A 111 -3.658 -10.759 1.827 1.00 0.00 C ATOM 1824 CG1 ILE A 111 -3.501 -9.419 2.546 1.00 0.00 C ATOM 1825 CG2 ILE A 111 -5.062 -10.886 1.257 1.00 0.00 C ATOM 1826 CD1 ILE A 111 -3.702 -8.215 1.647 1.00 0.00 C ATOM 0 H ILE A 111 -1.391 -11.223 2.902 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.088 -11.941 3.593 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.938 -10.793 1.010 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.217 -9.372 3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.506 -9.369 2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.260 -10.049 0.587 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -5.147 -11.822 0.704 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.787 -10.878 2.071 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.575 -7.302 2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -2.969 -8.237 0.840 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.707 -8.240 1.225 1.00 0.00 H new ATOM 1838 N GLU A 112 -2.695 -13.327 0.905 1.00 0.00 N ATOM 1839 CA GLU A 112 -2.802 -14.435 -0.030 1.00 0.00 C ATOM 1840 C GLU A 112 -1.991 -15.638 0.432 1.00 0.00 C ATOM 1841 O GLU A 112 -2.527 -16.744 0.542 1.00 0.00 O ATOM 1842 CB GLU A 112 -2.332 -14.005 -1.418 1.00 0.00 C ATOM 1843 CG GLU A 112 -3.116 -12.844 -2.007 1.00 0.00 C ATOM 1844 CD GLU A 112 -2.773 -12.602 -3.460 1.00 0.00 C ATOM 1845 OE1 GLU A 112 -3.328 -13.307 -4.326 1.00 0.00 O ATOM 1846 OE2 GLU A 112 -1.947 -11.711 -3.745 1.00 0.00 O ATOM 0 H GLU A 112 -1.985 -12.637 0.659 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.851 -14.726 -0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.279 -13.728 -1.364 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.403 -14.857 -2.094 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.183 -13.045 -1.916 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -2.912 -11.941 -1.432 1.00 0.00 H new