USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 658 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 55 GLN : amide:sc= -0.465 K(o=-1.8,f=-3.7!) USER MOD Set 1.2: A 58 GLN : amide:sc= -1.32 K(o=-1.8,f=-0.67) USER MOD Set 2.1: A 17 HIS : no HE2:sc= -12.1! C(o=-12!,f=-16!) USER MOD Set 2.2: A 30 TYR OH : rot 150:sc= 0.235 USER MOD Set 3.1: A 14 SER OG : rot -76:sc= 0.13 USER MOD Set 3.2: A 18 GLN : amide:sc= -0.428 X(o=-0.3,f=-0.086) USER MOD Single : A 2 LYS NZ :NH3+ -121:sc= -0.441 (180deg=-3.4!) USER MOD Single : A 6 ASN : amide:sc= -2.9! K(o=-2.9!,f=-1.1) USER MOD Single : A 9 GLN : amide:sc= -1.99! C(o=-2!,f=-6.3!) USER MOD Single : A 12 SER OG : rot -35:sc= 0.0331 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -3.1! C(o=-3.1!,f=-6.8!) USER MOD Single : A 40 CYS SG : rot 53:sc= -0.198 USER MOD Single : A 42 THR OG1 : rot -133:sc= 1.66 USER MOD Single : A 47 TYR OH : rot -41:sc= -6.9! USER MOD Single : A 59 SER OG : rot -80:sc= -1.51 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -0.364 USER MOD Single : A 72 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.19) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot 180:sc= 0.134 USER MOD Single : A 85 THR OG1 : rot 65:sc= -0.13 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 2 -5.381 3.573 9.596 1.00 0.00 N ATOM 26 CA LYS A 2 -4.125 4.311 9.310 1.00 0.00 C ATOM 27 C LYS A 2 -3.061 3.326 8.838 1.00 0.00 C ATOM 28 O LYS A 2 -3.003 2.197 9.283 1.00 0.00 O ATOM 29 CB LYS A 2 -3.640 5.004 10.580 1.00 0.00 C ATOM 30 CG LYS A 2 -3.521 6.508 10.333 1.00 0.00 C ATOM 31 CD LYS A 2 -2.240 7.033 10.987 1.00 0.00 C ATOM 32 CE LYS A 2 -1.026 6.330 10.374 1.00 0.00 C ATOM 33 NZ LYS A 2 -0.167 5.783 11.462 1.00 0.00 N ATOM 0 HA LYS A 2 -4.308 5.056 8.536 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -4.335 4.814 11.398 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -2.675 4.598 10.881 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.505 6.711 9.262 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -4.389 7.024 10.743 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.161 8.110 10.842 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.270 6.857 12.062 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.353 5.526 9.715 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.456 7.031 9.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.785 6.197 11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.583 6.020 12.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.102 4.749 11.367 1.00 0.00 H new ATOM 47 N ALA A 3 -2.220 3.743 7.939 1.00 0.00 N ATOM 48 CA ALA A 3 -1.161 2.826 7.438 1.00 0.00 C ATOM 49 C ALA A 3 0.176 3.562 7.366 1.00 0.00 C ATOM 50 O ALA A 3 0.234 4.746 7.116 1.00 0.00 O ATOM 51 CB ALA A 3 -1.540 2.326 6.043 1.00 0.00 C ATOM 0 H ALA A 3 -2.218 4.677 7.529 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.068 1.981 8.120 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.765 1.654 5.674 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.489 1.793 6.093 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.636 3.175 5.366 1.00 0.00 H new ATOM 57 N VAL A 4 1.251 2.861 7.583 1.00 0.00 N ATOM 58 CA VAL A 4 2.593 3.503 7.523 1.00 0.00 C ATOM 59 C VAL A 4 3.553 2.583 6.767 1.00 0.00 C ATOM 60 O VAL A 4 3.917 1.528 7.246 1.00 0.00 O ATOM 61 CB VAL A 4 3.113 3.724 8.943 1.00 0.00 C ATOM 62 CG1 VAL A 4 4.482 4.408 8.889 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.124 4.604 9.710 1.00 0.00 C ATOM 0 H VAL A 4 1.259 1.865 7.801 1.00 0.00 H new ATOM 0 HA VAL A 4 2.521 4.462 7.010 1.00 0.00 H new ATOM 0 HB VAL A 4 3.214 2.764 9.450 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.851 4.565 9.903 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.182 3.777 8.341 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.389 5.370 8.384 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.490 4.765 10.724 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.023 5.564 9.204 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.153 4.111 9.749 1.00 0.00 H new ATOM 73 N ILE A 5 3.968 2.966 5.589 1.00 0.00 N ATOM 74 CA ILE A 5 4.901 2.093 4.823 1.00 0.00 C ATOM 75 C ILE A 5 6.342 2.495 5.123 1.00 0.00 C ATOM 76 O ILE A 5 6.882 3.410 4.534 1.00 0.00 O ATOM 77 CB ILE A 5 4.639 2.225 3.324 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.126 2.055 3.064 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.457 1.158 2.585 1.00 0.00 C ATOM 80 CD1 ILE A 5 2.864 1.087 1.901 1.00 0.00 C ATOM 0 H ILE A 5 3.704 3.837 5.128 1.00 0.00 H new ATOM 0 HA ILE A 5 4.739 1.058 5.122 1.00 0.00 H new ATOM 0 HB ILE A 5 4.941 3.207 2.959 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.640 1.683 3.966 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.682 3.025 2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.279 1.241 1.513 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.517 1.306 2.789 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.157 0.168 2.927 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.790 0.989 1.744 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.330 1.473 0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.286 0.111 2.138 1.00 0.00 H new ATOM 92 N ASN A 6 6.969 1.811 6.035 1.00 0.00 N ATOM 93 CA ASN A 6 8.373 2.137 6.382 1.00 0.00 C ATOM 94 C ASN A 6 9.309 1.470 5.369 1.00 0.00 C ATOM 95 O ASN A 6 9.634 0.305 5.484 1.00 0.00 O ATOM 96 CB ASN A 6 8.660 1.607 7.784 1.00 0.00 C ATOM 97 CG ASN A 6 7.852 2.406 8.808 1.00 0.00 C ATOM 98 OD1 ASN A 6 8.387 3.258 9.490 1.00 0.00 O ATOM 99 ND2 ASN A 6 6.577 2.166 8.946 1.00 0.00 N ATOM 0 H ASN A 6 6.564 1.034 6.558 1.00 0.00 H new ATOM 0 HA ASN A 6 8.532 3.215 6.357 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.400 0.550 7.845 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.725 1.687 8.003 1.00 0.00 H new ATOM 0 HD21 ASN A 6 6.029 2.693 9.626 1.00 0.00 H new ATOM 0 HD22 ASN A 6 6.128 1.451 8.374 1.00 0.00 H new ATOM 106 N GLY A 7 9.735 2.198 4.371 1.00 0.00 N ATOM 107 CA GLY A 7 10.639 1.603 3.344 1.00 0.00 C ATOM 108 C GLY A 7 11.986 1.248 3.976 1.00 0.00 C ATOM 109 O GLY A 7 12.687 0.371 3.511 1.00 0.00 O ATOM 0 H GLY A 7 9.496 3.178 4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.181 0.710 2.918 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.786 2.307 2.525 1.00 0.00 H new ATOM 113 N GLU A 8 12.357 1.922 5.028 1.00 0.00 N ATOM 114 CA GLU A 8 13.662 1.620 5.681 1.00 0.00 C ATOM 115 C GLU A 8 13.622 0.215 6.287 1.00 0.00 C ATOM 116 O GLU A 8 14.632 -0.321 6.698 1.00 0.00 O ATOM 117 CB GLU A 8 13.925 2.643 6.789 1.00 0.00 C ATOM 118 CG GLU A 8 14.661 3.851 6.207 1.00 0.00 C ATOM 119 CD GLU A 8 14.474 5.057 7.129 1.00 0.00 C ATOM 120 OE1 GLU A 8 13.495 5.765 6.955 1.00 0.00 O ATOM 121 OE2 GLU A 8 15.311 5.252 7.995 1.00 0.00 O ATOM 0 H GLU A 8 11.815 2.668 5.464 1.00 0.00 H new ATOM 0 HA GLU A 8 14.458 1.671 4.938 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.983 2.959 7.237 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.519 2.190 7.583 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.722 3.625 6.097 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.279 4.078 5.212 1.00 0.00 H new ATOM 128 N GLN A 9 12.463 -0.381 6.361 1.00 0.00 N ATOM 129 CA GLN A 9 12.362 -1.740 6.955 1.00 0.00 C ATOM 130 C GLN A 9 12.150 -2.788 5.860 1.00 0.00 C ATOM 131 O GLN A 9 12.847 -3.781 5.795 1.00 0.00 O ATOM 132 CB GLN A 9 11.176 -1.761 7.913 1.00 0.00 C ATOM 133 CG GLN A 9 11.363 -0.675 8.972 1.00 0.00 C ATOM 134 CD GLN A 9 10.186 -0.704 9.949 1.00 0.00 C ATOM 135 OE1 GLN A 9 9.049 -0.543 9.553 1.00 0.00 O ATOM 136 NE2 GLN A 9 10.413 -0.902 11.219 1.00 0.00 N ATOM 0 H GLN A 9 11.582 0.017 6.035 1.00 0.00 H new ATOM 0 HA GLN A 9 13.285 -1.975 7.485 1.00 0.00 H new ATOM 0 HB2 GLN A 9 10.248 -1.595 7.365 1.00 0.00 H new ATOM 0 HB3 GLN A 9 11.095 -2.739 8.388 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.298 -0.833 9.509 1.00 0.00 H new ATOM 0 HG3 GLN A 9 11.430 0.303 8.496 1.00 0.00 H new ATOM 0 HE21 GLN A 9 11.368 -1.037 11.551 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.636 -0.922 11.879 1.00 0.00 H new ATOM 145 N ILE A 10 11.183 -2.583 5.012 1.00 0.00 N ATOM 146 CA ILE A 10 10.909 -3.571 3.934 1.00 0.00 C ATOM 147 C ILE A 10 12.206 -4.084 3.321 1.00 0.00 C ATOM 148 O ILE A 10 13.174 -3.367 3.163 1.00 0.00 O ATOM 149 CB ILE A 10 10.060 -2.907 2.858 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.620 -2.848 3.346 1.00 0.00 C ATOM 151 CG2 ILE A 10 10.120 -3.710 1.552 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.818 -2.006 2.375 1.00 0.00 C ATOM 0 H ILE A 10 10.568 -1.770 5.019 1.00 0.00 H new ATOM 0 HA ILE A 10 10.377 -4.421 4.362 1.00 0.00 H new ATOM 0 HB ILE A 10 10.441 -1.904 2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.201 -3.852 3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.576 -2.418 4.346 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.507 -3.220 0.795 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.152 -3.763 1.205 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.743 -4.718 1.727 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.782 -1.953 2.709 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.238 -1.001 2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.857 -2.458 1.384 1.00 0.00 H new ATOM 164 N ARG A 11 12.206 -5.333 2.965 1.00 0.00 N ATOM 165 CA ARG A 11 13.396 -5.948 2.345 1.00 0.00 C ATOM 166 C ARG A 11 12.986 -6.578 1.010 1.00 0.00 C ATOM 167 O ARG A 11 13.812 -7.054 0.257 1.00 0.00 O ATOM 168 CB ARG A 11 13.926 -7.029 3.278 1.00 0.00 C ATOM 169 CG ARG A 11 14.669 -6.374 4.441 1.00 0.00 C ATOM 170 CD ARG A 11 15.807 -7.285 4.903 1.00 0.00 C ATOM 171 NE ARG A 11 17.068 -6.894 4.211 1.00 0.00 N ATOM 172 CZ ARG A 11 18.217 -7.320 4.659 1.00 0.00 C ATOM 173 NH1 ARG A 11 18.477 -7.275 5.937 1.00 0.00 N ATOM 174 NH2 ARG A 11 19.107 -7.792 3.828 1.00 0.00 N ATOM 0 H ARG A 11 11.413 -5.963 3.082 1.00 0.00 H new ATOM 0 HA ARG A 11 14.169 -5.198 2.173 1.00 0.00 H new ATOM 0 HB2 ARG A 11 13.103 -7.637 3.654 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.594 -7.698 2.735 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.066 -5.407 4.133 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.981 -6.188 5.266 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.933 -7.208 5.983 1.00 0.00 H new ATOM 0 HD3 ARG A 11 15.567 -8.325 4.683 1.00 0.00 H new ATOM 0 HE ARG A 11 17.033 -6.293 3.387 1.00 0.00 H new ATOM 0 HH11 ARG A 11 17.782 -6.907 6.586 1.00 0.00 H new ATOM 0 HH12 ARG A 11 19.375 -7.608 6.287 1.00 0.00 H new ATOM 0 HH21 ARG A 11 18.904 -7.828 2.829 1.00 0.00 H new ATOM 0 HH22 ARG A 11 20.005 -8.125 4.178 1.00 0.00 H new ATOM 188 N SER A 12 11.710 -6.585 0.713 1.00 0.00 N ATOM 189 CA SER A 12 11.246 -7.186 -0.569 1.00 0.00 C ATOM 190 C SER A 12 9.787 -6.795 -0.830 1.00 0.00 C ATOM 191 O SER A 12 9.068 -6.374 0.062 1.00 0.00 O ATOM 192 CB SER A 12 11.356 -8.709 -0.484 1.00 0.00 C ATOM 193 OG SER A 12 12.659 -9.063 -0.041 1.00 0.00 O ATOM 0 H SER A 12 10.973 -6.200 1.304 1.00 0.00 H new ATOM 0 HA SER A 12 11.868 -6.817 -1.385 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.607 -9.101 0.204 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.158 -9.154 -1.459 1.00 0.00 H new ATOM 0 HG SER A 12 13.313 -8.433 -0.411 1.00 0.00 H new ATOM 199 N ILE A 13 9.340 -6.935 -2.049 1.00 0.00 N ATOM 200 CA ILE A 13 7.932 -6.577 -2.368 1.00 0.00 C ATOM 201 C ILE A 13 7.001 -7.303 -1.397 1.00 0.00 C ATOM 202 O ILE A 13 6.113 -6.711 -0.815 1.00 0.00 O ATOM 203 CB ILE A 13 7.609 -6.992 -3.805 1.00 0.00 C ATOM 204 CG1 ILE A 13 6.255 -6.407 -4.219 1.00 0.00 C ATOM 205 CG2 ILE A 13 7.547 -8.516 -3.893 1.00 0.00 C ATOM 206 CD1 ILE A 13 6.172 -4.935 -3.805 1.00 0.00 C ATOM 0 H ILE A 13 9.890 -7.281 -2.835 1.00 0.00 H new ATOM 0 HA ILE A 13 7.794 -5.500 -2.270 1.00 0.00 H new ATOM 0 HB ILE A 13 8.386 -6.617 -4.471 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.125 -6.498 -5.297 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.448 -6.971 -3.752 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.317 -8.812 -4.916 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.509 -8.937 -3.601 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.771 -8.888 -3.224 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.206 -4.527 -4.103 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.282 -4.854 -2.724 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.969 -4.374 -4.293 1.00 0.00 H new ATOM 218 N SER A 14 7.205 -8.579 -1.200 1.00 0.00 N ATOM 219 CA SER A 14 6.336 -9.320 -0.248 1.00 0.00 C ATOM 220 C SER A 14 6.260 -8.510 1.042 1.00 0.00 C ATOM 221 O SER A 14 5.207 -8.324 1.616 1.00 0.00 O ATOM 222 CB SER A 14 6.944 -10.692 0.043 1.00 0.00 C ATOM 223 OG SER A 14 5.943 -11.546 0.580 1.00 0.00 O ATOM 0 H SER A 14 7.930 -9.134 -1.654 1.00 0.00 H new ATOM 0 HA SER A 14 5.341 -9.461 -0.670 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.353 -11.122 -0.871 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.770 -10.594 0.747 1.00 0.00 H new ATOM 0 HG SER A 14 5.776 -11.307 1.516 1.00 0.00 H new ATOM 229 N ASP A 15 7.381 -8.014 1.486 1.00 0.00 N ATOM 230 CA ASP A 15 7.405 -7.195 2.720 1.00 0.00 C ATOM 231 C ASP A 15 6.497 -5.984 2.537 1.00 0.00 C ATOM 232 O ASP A 15 5.747 -5.618 3.416 1.00 0.00 O ATOM 233 CB ASP A 15 8.828 -6.706 2.973 1.00 0.00 C ATOM 234 CG ASP A 15 9.310 -7.206 4.336 1.00 0.00 C ATOM 235 OD1 ASP A 15 8.611 -6.978 5.309 1.00 0.00 O ATOM 236 OD2 ASP A 15 10.371 -7.807 4.383 1.00 0.00 O ATOM 0 H ASP A 15 8.288 -8.145 1.039 1.00 0.00 H new ATOM 0 HA ASP A 15 7.062 -7.796 3.562 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.492 -7.066 2.187 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.859 -5.617 2.942 1.00 0.00 H new ATOM 241 N LEU A 16 6.565 -5.359 1.396 1.00 0.00 N ATOM 242 CA LEU A 16 5.708 -4.166 1.146 1.00 0.00 C ATOM 243 C LEU A 16 4.252 -4.543 1.394 1.00 0.00 C ATOM 244 O LEU A 16 3.549 -3.920 2.167 1.00 0.00 O ATOM 245 CB LEU A 16 5.871 -3.725 -0.309 1.00 0.00 C ATOM 246 CG LEU A 16 5.169 -2.382 -0.525 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.739 -1.342 0.441 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.397 -1.917 -1.965 1.00 0.00 C ATOM 0 H LEU A 16 7.178 -5.622 0.624 1.00 0.00 H new ATOM 0 HA LEU A 16 6.001 -3.353 1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.929 -3.637 -0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.450 -4.477 -0.976 1.00 0.00 H new ATOM 0 HG LEU A 16 4.101 -2.498 -0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.237 -0.387 0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.579 -1.672 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.807 -1.224 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.898 -0.961 -2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.466 -1.803 -2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.990 -2.656 -2.655 1.00 0.00 H new ATOM 260 N HIS A 17 3.804 -5.569 0.738 1.00 0.00 N ATOM 261 CA HIS A 17 2.405 -6.022 0.906 1.00 0.00 C ATOM 262 C HIS A 17 2.208 -6.527 2.337 1.00 0.00 C ATOM 263 O HIS A 17 1.109 -6.562 2.850 1.00 0.00 O ATOM 264 CB HIS A 17 2.145 -7.140 -0.100 1.00 0.00 C ATOM 265 CG HIS A 17 2.506 -6.650 -1.476 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.704 -5.764 -2.178 1.00 0.00 N ATOM 267 CD2 HIS A 17 3.583 -6.904 -2.289 1.00 0.00 C ATOM 268 CE1 HIS A 17 2.303 -5.519 -3.357 1.00 0.00 C ATOM 269 NE2 HIS A 17 3.451 -6.189 -3.476 1.00 0.00 N ATOM 0 H HIS A 17 4.357 -6.121 0.083 1.00 0.00 H new ATOM 0 HA HIS A 17 1.706 -5.204 0.730 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.735 -8.020 0.154 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.097 -7.439 -0.069 1.00 0.00 H new ATOM 0 HD1 HIS A 17 0.820 -5.369 -1.858 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.407 -7.559 -2.045 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.904 -4.861 -4.115 1.00 0.00 H new ATOM 277 N GLN A 18 3.267 -6.902 2.995 1.00 0.00 N ATOM 278 CA GLN A 18 3.134 -7.383 4.389 1.00 0.00 C ATOM 279 C GLN A 18 2.697 -6.215 5.268 1.00 0.00 C ATOM 280 O GLN A 18 1.689 -6.271 5.949 1.00 0.00 O ATOM 281 CB GLN A 18 4.482 -7.913 4.877 1.00 0.00 C ATOM 282 CG GLN A 18 4.362 -9.405 5.193 1.00 0.00 C ATOM 283 CD GLN A 18 5.465 -10.173 4.463 1.00 0.00 C ATOM 284 OE1 GLN A 18 5.188 -10.998 3.615 1.00 0.00 O ATOM 285 NE2 GLN A 18 6.714 -9.935 4.758 1.00 0.00 N ATOM 0 H GLN A 18 4.217 -6.895 2.625 1.00 0.00 H new ATOM 0 HA GLN A 18 2.396 -8.184 4.439 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.245 -7.752 4.115 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.799 -7.367 5.766 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.442 -9.567 6.268 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.383 -9.775 4.887 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.947 -9.243 5.470 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.457 -10.441 4.277 1.00 0.00 H new ATOM 294 N THR A 19 3.448 -5.149 5.250 1.00 0.00 N ATOM 295 CA THR A 19 3.084 -3.975 6.070 1.00 0.00 C ATOM 296 C THR A 19 1.709 -3.483 5.611 1.00 0.00 C ATOM 297 O THR A 19 0.859 -3.162 6.410 1.00 0.00 O ATOM 298 CB THR A 19 4.169 -2.884 5.914 1.00 0.00 C ATOM 299 OG1 THR A 19 4.761 -2.639 7.182 1.00 0.00 O ATOM 300 CG2 THR A 19 3.575 -1.570 5.393 1.00 0.00 C ATOM 0 H THR A 19 4.300 -5.046 4.699 1.00 0.00 H new ATOM 0 HA THR A 19 3.029 -4.232 7.128 1.00 0.00 H new ATOM 0 HB THR A 19 4.908 -3.240 5.196 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.452 -1.950 7.093 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.366 -0.826 5.296 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.115 -1.739 4.420 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.821 -1.209 6.093 1.00 0.00 H new ATOM 308 N LEU A 20 1.481 -3.439 4.327 1.00 0.00 N ATOM 309 CA LEU A 20 0.163 -2.992 3.824 1.00 0.00 C ATOM 310 C LEU A 20 -0.908 -3.907 4.406 1.00 0.00 C ATOM 311 O LEU A 20 -2.015 -3.510 4.673 1.00 0.00 O ATOM 312 CB LEU A 20 0.149 -3.107 2.307 1.00 0.00 C ATOM 313 CG LEU A 20 0.970 -1.975 1.694 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.881 -2.069 0.177 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.417 -0.625 2.161 1.00 0.00 C ATOM 0 H LEU A 20 2.156 -3.695 3.607 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.026 -1.959 4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.557 -4.071 2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.876 -3.065 1.940 1.00 0.00 H new ATOM 0 HG LEU A 20 2.010 -2.060 2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.464 -1.265 -0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.275 -3.031 -0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.160 -1.979 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.005 0.181 1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.622 -0.529 1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.474 -0.565 3.248 1.00 0.00 H new ATOM 327 N LYS A 21 -0.560 -5.139 4.592 1.00 0.00 N ATOM 328 CA LYS A 21 -1.513 -6.134 5.156 1.00 0.00 C ATOM 329 C LYS A 21 -1.804 -5.790 6.615 1.00 0.00 C ATOM 330 O LYS A 21 -2.932 -5.828 7.055 1.00 0.00 O ATOM 331 CB LYS A 21 -0.888 -7.527 5.083 1.00 0.00 C ATOM 332 CG LYS A 21 -1.856 -8.555 5.672 1.00 0.00 C ATOM 333 CD LYS A 21 -1.349 -9.967 5.371 1.00 0.00 C ATOM 334 CE LYS A 21 -1.390 -10.807 6.649 1.00 0.00 C ATOM 335 NZ LYS A 21 -0.275 -11.795 6.630 1.00 0.00 N ATOM 0 H LYS A 21 0.364 -5.512 4.374 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.441 -6.115 4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.659 -7.780 4.048 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.054 -7.543 5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.945 -8.411 6.749 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.851 -8.417 5.249 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.965 -10.429 4.599 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.331 -9.925 4.984 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.304 -10.162 7.524 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.347 -11.324 6.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.303 -12.366 7.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.377 -12.417 5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.634 -11.292 6.575 1.00 0.00 H new ATOM 349 N LYS A 22 -0.798 -5.450 7.373 1.00 0.00 N ATOM 350 CA LYS A 22 -1.033 -5.099 8.794 1.00 0.00 C ATOM 351 C LYS A 22 -1.903 -3.848 8.840 1.00 0.00 C ATOM 352 O LYS A 22 -2.989 -3.840 9.385 1.00 0.00 O ATOM 353 CB LYS A 22 0.302 -4.809 9.475 1.00 0.00 C ATOM 354 CG LYS A 22 0.725 -6.018 10.314 1.00 0.00 C ATOM 355 CD LYS A 22 1.029 -7.200 9.391 1.00 0.00 C ATOM 356 CE LYS A 22 0.359 -8.461 9.938 1.00 0.00 C ATOM 357 NZ LYS A 22 1.362 -9.273 10.684 1.00 0.00 N ATOM 0 H LYS A 22 0.174 -5.401 7.067 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.526 -5.924 9.308 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.063 -4.589 8.726 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.214 -3.927 10.109 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.605 -5.771 10.908 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.068 -6.284 11.013 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.667 -6.991 8.384 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.106 -7.350 9.318 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.467 -8.191 10.595 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.062 -9.046 9.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.907 -10.131 11.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.136 -9.542 10.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.744 -8.714 11.473 1.00 0.00 H new ATOM 371 N GLU A 23 -1.422 -2.796 8.249 1.00 0.00 N ATOM 372 CA GLU A 23 -2.182 -1.527 8.210 1.00 0.00 C ATOM 373 C GLU A 23 -3.592 -1.809 7.696 1.00 0.00 C ATOM 374 O GLU A 23 -4.570 -1.718 8.411 1.00 0.00 O ATOM 375 CB GLU A 23 -1.477 -0.580 7.238 1.00 0.00 C ATOM 376 CG GLU A 23 -0.030 -0.351 7.683 1.00 0.00 C ATOM 377 CD GLU A 23 0.821 0.012 6.464 1.00 0.00 C ATOM 378 OE1 GLU A 23 0.316 -0.103 5.359 1.00 0.00 O ATOM 379 OE2 GLU A 23 1.962 0.398 6.654 1.00 0.00 O ATOM 0 H GLU A 23 -0.515 -2.764 7.783 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.236 -1.083 9.204 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.494 -1.000 6.232 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.008 0.371 7.196 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.013 0.449 8.423 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.362 -1.249 8.161 1.00 0.00 H new ATOM 386 N LEU A 24 -3.680 -2.153 6.446 1.00 0.00 N ATOM 387 CA LEU A 24 -4.989 -2.459 5.813 1.00 0.00 C ATOM 388 C LEU A 24 -5.661 -3.625 6.537 1.00 0.00 C ATOM 389 O LEU A 24 -6.825 -3.907 6.328 1.00 0.00 O ATOM 390 CB LEU A 24 -4.738 -2.854 4.357 1.00 0.00 C ATOM 391 CG LEU A 24 -4.154 -1.663 3.599 1.00 0.00 C ATOM 392 CD1 LEU A 24 -2.988 -2.137 2.730 1.00 0.00 C ATOM 393 CD2 LEU A 24 -5.236 -1.047 2.712 1.00 0.00 C ATOM 0 H LEU A 24 -2.879 -2.237 5.820 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.638 -1.585 5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.052 -3.699 4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.669 -3.174 3.890 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.798 -0.916 4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.570 -1.289 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.218 -2.578 3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.344 -2.882 2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.822 -0.197 2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.591 -1.793 2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.067 -0.712 3.332 1.00 0.00 H new ATOM 405 N ALA A 25 -4.941 -4.318 7.372 1.00 0.00 N ATOM 406 CA ALA A 25 -5.544 -5.471 8.084 1.00 0.00 C ATOM 407 C ALA A 25 -6.199 -6.397 7.059 1.00 0.00 C ATOM 408 O ALA A 25 -7.334 -6.806 7.205 1.00 0.00 O ATOM 409 CB ALA A 25 -6.586 -4.952 9.067 1.00 0.00 C ATOM 0 H ALA A 25 -3.962 -4.134 7.591 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.781 -6.025 8.630 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.036 -5.791 9.597 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.109 -4.284 9.784 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.359 -4.408 8.524 1.00 0.00 H new ATOM 415 N LEU A 26 -5.482 -6.729 6.019 1.00 0.00 N ATOM 416 CA LEU A 26 -6.042 -7.627 4.970 1.00 0.00 C ATOM 417 C LEU A 26 -6.152 -9.048 5.529 1.00 0.00 C ATOM 418 O LEU A 26 -5.515 -9.373 6.512 1.00 0.00 O ATOM 419 CB LEU A 26 -5.108 -7.628 3.755 1.00 0.00 C ATOM 420 CG LEU A 26 -4.739 -6.191 3.384 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.649 -6.208 2.314 1.00 0.00 C ATOM 422 CD2 LEU A 26 -5.976 -5.471 2.842 1.00 0.00 C ATOM 0 H LEU A 26 -4.526 -6.414 5.851 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.029 -7.274 4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.206 -8.199 3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.594 -8.118 2.911 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.373 -5.668 4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.384 -5.185 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.769 -6.722 2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.015 -6.730 1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.714 -4.447 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.342 -5.992 1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.754 -5.461 3.605 1.00 0.00 H new ATOM 434 N PRO A 27 -6.954 -9.858 4.885 1.00 0.00 N ATOM 435 CA PRO A 27 -7.155 -11.253 5.307 1.00 0.00 C ATOM 436 C PRO A 27 -5.818 -11.997 5.316 1.00 0.00 C ATOM 437 O PRO A 27 -4.768 -11.410 5.145 1.00 0.00 O ATOM 438 CB PRO A 27 -8.098 -11.850 4.256 1.00 0.00 C ATOM 439 CG PRO A 27 -8.503 -10.711 3.286 1.00 0.00 C ATOM 440 CD PRO A 27 -7.722 -9.453 3.693 1.00 0.00 C ATOM 0 HA PRO A 27 -7.567 -11.329 6.313 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.605 -12.657 3.714 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.980 -12.278 4.732 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.275 -10.986 2.256 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.576 -10.528 3.337 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.063 -9.120 2.892 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.394 -8.625 3.918 1.00 0.00 H new ATOM 448 N GLU A 28 -5.848 -13.285 5.513 1.00 0.00 N ATOM 449 CA GLU A 28 -4.579 -14.063 5.532 1.00 0.00 C ATOM 450 C GLU A 28 -4.177 -14.419 4.100 1.00 0.00 C ATOM 451 O GLU A 28 -3.032 -14.713 3.821 1.00 0.00 O ATOM 452 CB GLU A 28 -4.783 -15.350 6.331 1.00 0.00 C ATOM 453 CG GLU A 28 -4.978 -15.010 7.809 1.00 0.00 C ATOM 454 CD GLU A 28 -3.619 -14.978 8.509 1.00 0.00 C ATOM 455 OE1 GLU A 28 -2.969 -16.010 8.546 1.00 0.00 O ATOM 456 OE2 GLU A 28 -3.250 -13.922 8.997 1.00 0.00 O ATOM 0 H GLU A 28 -6.696 -13.832 5.662 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.795 -13.464 5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.651 -15.890 5.954 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.921 -16.006 6.209 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.473 -14.044 7.909 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.625 -15.750 8.281 1.00 0.00 H new ATOM 463 N TYR A 29 -5.111 -14.400 3.190 1.00 0.00 N ATOM 464 CA TYR A 29 -4.779 -14.744 1.781 1.00 0.00 C ATOM 465 C TYR A 29 -4.426 -13.474 1.005 1.00 0.00 C ATOM 466 O TYR A 29 -4.293 -13.498 -0.202 1.00 0.00 O ATOM 467 CB TYR A 29 -5.980 -15.427 1.122 1.00 0.00 C ATOM 468 CG TYR A 29 -7.082 -14.417 0.913 1.00 0.00 C ATOM 469 CD1 TYR A 29 -7.947 -14.102 1.966 1.00 0.00 C ATOM 470 CD2 TYR A 29 -7.238 -13.795 -0.331 1.00 0.00 C ATOM 471 CE1 TYR A 29 -8.968 -13.164 1.778 1.00 0.00 C ATOM 472 CE2 TYR A 29 -8.259 -12.856 -0.521 1.00 0.00 C ATOM 473 CZ TYR A 29 -9.124 -12.540 0.534 1.00 0.00 C ATOM 474 OH TYR A 29 -10.131 -11.615 0.347 1.00 0.00 O ATOM 0 H TYR A 29 -6.088 -14.161 3.361 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.925 -15.421 1.771 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.685 -15.862 0.167 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.336 -16.245 1.749 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.827 -14.583 2.925 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -6.571 -14.039 -1.144 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.635 -12.921 2.592 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.379 -12.376 -1.481 1.00 0.00 H new ATOM 0 HH TYR A 29 -10.098 -11.277 -0.572 1.00 0.00 H new ATOM 484 N TYR A 30 -4.273 -12.362 1.680 1.00 0.00 N ATOM 485 CA TYR A 30 -3.925 -11.104 0.951 1.00 0.00 C ATOM 486 C TYR A 30 -2.830 -11.409 -0.070 1.00 0.00 C ATOM 487 O TYR A 30 -1.666 -11.506 0.265 1.00 0.00 O ATOM 488 CB TYR A 30 -3.413 -10.037 1.929 1.00 0.00 C ATOM 489 CG TYR A 30 -2.770 -8.910 1.142 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.350 -8.482 -0.058 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.591 -8.304 1.603 1.00 0.00 C ATOM 492 CE1 TYR A 30 -2.758 -7.450 -0.796 1.00 0.00 C ATOM 493 CE2 TYR A 30 -0.996 -7.267 0.863 1.00 0.00 C ATOM 494 CZ TYR A 30 -1.583 -6.844 -0.336 1.00 0.00 C ATOM 495 OH TYR A 30 -1.005 -5.826 -1.064 1.00 0.00 O ATOM 0 H TYR A 30 -4.372 -12.271 2.691 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.818 -10.726 0.453 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.236 -9.653 2.531 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.691 -10.474 2.618 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.256 -8.949 -0.415 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.140 -8.635 2.527 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.208 -7.121 -1.721 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.090 -6.799 1.218 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.538 -5.214 -0.457 1.00 0.00 H new ATOM 505 N GLY A 31 -3.188 -11.557 -1.313 1.00 0.00 N ATOM 506 CA GLY A 31 -2.156 -11.849 -2.343 1.00 0.00 C ATOM 507 C GLY A 31 -1.066 -10.781 -2.275 1.00 0.00 C ATOM 508 O GLY A 31 -0.089 -10.930 -1.572 1.00 0.00 O ATOM 0 H GLY A 31 -4.145 -11.489 -1.659 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.726 -12.836 -2.175 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.608 -11.863 -3.335 1.00 0.00 H new ATOM 512 N GLU A 32 -1.243 -9.707 -3.003 1.00 0.00 N ATOM 513 CA GLU A 32 -0.242 -8.590 -3.016 1.00 0.00 C ATOM 514 C GLU A 32 -0.306 -7.886 -4.372 1.00 0.00 C ATOM 515 O GLU A 32 0.198 -6.795 -4.545 1.00 0.00 O ATOM 516 CB GLU A 32 1.183 -9.121 -2.816 1.00 0.00 C ATOM 517 CG GLU A 32 1.463 -10.259 -3.802 1.00 0.00 C ATOM 518 CD GLU A 32 2.682 -11.054 -3.329 1.00 0.00 C ATOM 519 OE1 GLU A 32 3.657 -10.431 -2.942 1.00 0.00 O ATOM 520 OE2 GLU A 32 2.620 -12.271 -3.363 1.00 0.00 O ATOM 0 H GLU A 32 -2.054 -9.552 -3.601 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.481 -7.904 -2.203 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.903 -8.316 -2.963 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.307 -9.477 -1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.594 -10.913 -3.875 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.643 -9.855 -4.798 1.00 0.00 H new ATOM 527 N ASN A 33 -0.912 -8.517 -5.338 1.00 0.00 N ATOM 528 CA ASN A 33 -1.002 -7.908 -6.694 1.00 0.00 C ATOM 529 C ASN A 33 -1.972 -6.729 -6.682 1.00 0.00 C ATOM 530 O ASN A 33 -2.740 -6.549 -5.767 1.00 0.00 O ATOM 531 CB ASN A 33 -1.498 -8.948 -7.706 1.00 0.00 C ATOM 532 CG ASN A 33 -2.587 -9.835 -7.091 1.00 0.00 C ATOM 533 OD1 ASN A 33 -3.760 -9.596 -7.288 1.00 0.00 O ATOM 534 ND2 ASN A 33 -2.251 -10.866 -6.364 1.00 0.00 N ATOM 0 H ASN A 33 -1.351 -9.433 -5.246 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.009 -7.560 -6.980 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.890 -8.444 -8.589 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.663 -9.566 -8.036 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.973 -11.466 -5.965 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.266 -11.072 -6.195 1.00 0.00 H new ATOM 541 N LEU A 34 -1.946 -5.933 -7.710 1.00 0.00 N ATOM 542 CA LEU A 34 -2.870 -4.767 -7.787 1.00 0.00 C ATOM 543 C LEU A 34 -4.310 -5.255 -7.678 1.00 0.00 C ATOM 544 O LEU A 34 -5.155 -4.639 -7.070 1.00 0.00 O ATOM 545 CB LEU A 34 -2.704 -4.110 -9.146 1.00 0.00 C ATOM 546 CG LEU A 34 -1.238 -3.726 -9.375 1.00 0.00 C ATOM 547 CD1 LEU A 34 -1.146 -2.750 -10.549 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.670 -3.062 -8.118 1.00 0.00 C ATOM 0 H LEU A 34 -1.320 -6.039 -8.508 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.646 -4.068 -6.982 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.035 -4.791 -9.930 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.334 -3.222 -9.208 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.663 -4.625 -9.597 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.104 -2.476 -10.713 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.543 -3.223 -11.447 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.726 -1.855 -10.324 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.372 -2.792 -8.288 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.245 -2.164 -7.889 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.733 -3.756 -7.280 1.00 0.00 H new ATOM 560 N ASP A 35 -4.582 -6.352 -8.301 1.00 0.00 N ATOM 561 CA ASP A 35 -5.952 -6.927 -8.295 1.00 0.00 C ATOM 562 C ASP A 35 -6.386 -7.275 -6.873 1.00 0.00 C ATOM 563 O ASP A 35 -7.528 -7.098 -6.497 1.00 0.00 O ATOM 564 CB ASP A 35 -5.921 -8.213 -9.101 1.00 0.00 C ATOM 565 CG ASP A 35 -5.652 -7.895 -10.573 1.00 0.00 C ATOM 566 OD1 ASP A 35 -6.102 -6.856 -11.026 1.00 0.00 O ATOM 567 OD2 ASP A 35 -5.001 -8.697 -11.223 1.00 0.00 O ATOM 0 H ASP A 35 -3.898 -6.893 -8.830 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.648 -6.200 -8.714 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.147 -8.876 -8.715 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.870 -8.739 -9.001 1.00 0.00 H new ATOM 572 N ALA A 36 -5.485 -7.785 -6.087 1.00 0.00 N ATOM 573 CA ALA A 36 -5.849 -8.169 -4.692 1.00 0.00 C ATOM 574 C ALA A 36 -5.833 -6.933 -3.823 1.00 0.00 C ATOM 575 O ALA A 36 -6.837 -6.518 -3.287 1.00 0.00 O ATOM 576 CB ALA A 36 -4.837 -9.168 -4.142 1.00 0.00 C ATOM 0 H ALA A 36 -4.513 -7.954 -6.346 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.840 -8.623 -4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.112 -9.441 -3.123 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.830 -10.060 -4.768 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.845 -8.717 -4.141 1.00 0.00 H new ATOM 582 N LEU A 37 -4.687 -6.342 -3.699 1.00 0.00 N ATOM 583 CA LEU A 37 -4.559 -5.107 -2.884 1.00 0.00 C ATOM 584 C LEU A 37 -5.752 -4.212 -3.197 1.00 0.00 C ATOM 585 O LEU A 37 -6.489 -3.766 -2.329 1.00 0.00 O ATOM 586 CB LEU A 37 -3.270 -4.393 -3.291 1.00 0.00 C ATOM 587 CG LEU A 37 -3.318 -2.935 -2.827 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.204 -2.878 -1.302 1.00 0.00 C ATOM 589 CD2 LEU A 37 -2.158 -2.159 -3.455 1.00 0.00 C ATOM 0 H LEU A 37 -3.821 -6.663 -4.132 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.532 -5.339 -1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.410 -4.897 -2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.145 -4.436 -4.373 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.263 -2.489 -3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.238 -1.839 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.032 -3.428 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.260 -3.326 -0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.193 -1.121 -3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.213 -2.606 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.241 -2.196 -4.541 1.00 0.00 H new ATOM 601 N TRP A 38 -5.936 -3.958 -4.450 1.00 0.00 N ATOM 602 CA TRP A 38 -7.058 -3.116 -4.885 1.00 0.00 C ATOM 603 C TRP A 38 -8.346 -3.741 -4.404 1.00 0.00 C ATOM 604 O TRP A 38 -9.128 -3.136 -3.704 1.00 0.00 O ATOM 605 CB TRP A 38 -7.097 -3.062 -6.405 1.00 0.00 C ATOM 606 CG TRP A 38 -8.257 -2.229 -6.798 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.503 -2.688 -6.988 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.303 -0.804 -7.011 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.324 -1.624 -7.325 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.621 -0.435 -7.350 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.329 0.190 -6.948 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -9.956 0.892 -7.615 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.649 1.516 -7.206 1.00 0.00 C ATOM 614 CH2 TRP A 38 -8.963 1.877 -7.540 1.00 0.00 C ATOM 0 H TRP A 38 -5.343 -4.307 -5.203 1.00 0.00 H new ATOM 0 HA TRP A 38 -6.937 -2.112 -4.479 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.172 -2.638 -6.796 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.189 -4.065 -6.821 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.815 -3.718 -6.894 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.320 -1.708 -7.529 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.313 -0.074 -6.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -10.970 1.158 -7.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.882 2.274 -7.149 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -9.208 2.910 -7.738 1.00 0.00 H new ATOM 625 N ASP A 39 -8.563 -4.961 -4.779 1.00 0.00 N ATOM 626 CA ASP A 39 -9.798 -5.656 -4.350 1.00 0.00 C ATOM 627 C ASP A 39 -10.011 -5.388 -2.862 1.00 0.00 C ATOM 628 O ASP A 39 -11.118 -5.433 -2.362 1.00 0.00 O ATOM 629 CB ASP A 39 -9.653 -7.158 -4.590 1.00 0.00 C ATOM 630 CG ASP A 39 -10.406 -7.546 -5.864 1.00 0.00 C ATOM 631 OD1 ASP A 39 -10.129 -6.957 -6.896 1.00 0.00 O ATOM 632 OD2 ASP A 39 -11.248 -8.426 -5.786 1.00 0.00 O ATOM 0 H ASP A 39 -7.936 -5.511 -5.367 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.652 -5.290 -4.921 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.600 -7.422 -4.683 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.047 -7.713 -3.739 1.00 0.00 H new ATOM 637 N CYS A 40 -8.953 -5.102 -2.150 1.00 0.00 N ATOM 638 CA CYS A 40 -9.086 -4.825 -0.700 1.00 0.00 C ATOM 639 C CYS A 40 -9.568 -3.385 -0.483 1.00 0.00 C ATOM 640 O CYS A 40 -10.508 -3.148 0.249 1.00 0.00 O ATOM 641 CB CYS A 40 -7.729 -5.017 -0.027 1.00 0.00 C ATOM 642 SG CYS A 40 -7.089 -6.665 -0.414 1.00 0.00 S ATOM 0 H CYS A 40 -8.002 -5.050 -2.516 1.00 0.00 H new ATOM 0 HA CYS A 40 -9.814 -5.511 -0.266 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.030 -4.254 -0.370 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.826 -4.898 1.052 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.095 -6.842 -1.702 1.00 0.00 H new ATOM 648 N LEU A 41 -8.935 -2.415 -1.094 1.00 0.00 N ATOM 649 CA LEU A 41 -9.370 -1.011 -0.886 1.00 0.00 C ATOM 650 C LEU A 41 -10.810 -0.808 -1.371 1.00 0.00 C ATOM 651 O LEU A 41 -11.625 -0.213 -0.695 1.00 0.00 O ATOM 652 CB LEU A 41 -8.451 -0.082 -1.671 1.00 0.00 C ATOM 653 CG LEU A 41 -6.993 -0.387 -1.335 1.00 0.00 C ATOM 654 CD1 LEU A 41 -6.093 0.482 -2.205 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.732 -0.080 0.140 1.00 0.00 C ATOM 0 H LEU A 41 -8.141 -2.539 -1.723 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.322 -0.787 0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.621 -0.207 -2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.679 0.957 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.783 -1.440 -1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.049 0.272 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.282 0.263 -3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.303 1.534 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.691 -0.298 0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.936 0.973 0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.383 -0.696 0.761 1.00 0.00 H new ATOM 667 N THR A 42 -11.113 -1.266 -2.552 1.00 0.00 N ATOM 668 CA THR A 42 -12.474 -1.072 -3.111 1.00 0.00 C ATOM 669 C THR A 42 -13.506 -1.934 -2.377 1.00 0.00 C ATOM 670 O THR A 42 -14.685 -1.860 -2.661 1.00 0.00 O ATOM 671 CB THR A 42 -12.465 -1.447 -4.594 1.00 0.00 C ATOM 672 OG1 THR A 42 -11.677 -2.614 -4.781 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.876 -0.294 -5.409 1.00 0.00 C ATOM 0 H THR A 42 -10.467 -1.772 -3.159 1.00 0.00 H new ATOM 0 HA THR A 42 -12.752 -0.026 -2.984 1.00 0.00 H new ATOM 0 HB THR A 42 -13.485 -1.641 -4.927 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.067 -2.479 -5.536 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.870 -0.561 -6.466 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.482 0.600 -5.265 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.856 -0.098 -5.078 1.00 0.00 H new ATOM 681 N GLY A 43 -13.098 -2.751 -1.444 1.00 0.00 N ATOM 682 CA GLY A 43 -14.112 -3.590 -0.737 1.00 0.00 C ATOM 683 C GLY A 43 -13.479 -4.376 0.413 1.00 0.00 C ATOM 684 O GLY A 43 -13.456 -5.591 0.402 1.00 0.00 O ATOM 0 H GLY A 43 -12.131 -2.874 -1.145 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.908 -2.954 -0.350 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.571 -4.281 -1.443 1.00 0.00 H new ATOM 688 N TRP A 44 -12.985 -3.702 1.415 1.00 0.00 N ATOM 689 CA TRP A 44 -12.378 -4.418 2.568 1.00 0.00 C ATOM 690 C TRP A 44 -11.820 -3.399 3.560 1.00 0.00 C ATOM 691 O TRP A 44 -12.293 -3.273 4.672 1.00 0.00 O ATOM 692 CB TRP A 44 -11.251 -5.319 2.072 1.00 0.00 C ATOM 693 CG TRP A 44 -10.697 -6.090 3.223 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.644 -5.702 3.973 1.00 0.00 C ATOM 695 CD2 TRP A 44 -11.148 -7.362 3.772 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.412 -6.657 4.946 1.00 0.00 N ATOM 697 CE2 TRP A 44 -10.314 -7.700 4.864 1.00 0.00 C ATOM 698 CE3 TRP A 44 -12.186 -8.247 3.431 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -10.504 -8.875 5.592 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -12.380 -9.431 4.162 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.541 -9.744 5.240 1.00 0.00 C ATOM 0 H TRP A 44 -12.976 -2.684 1.483 1.00 0.00 H new ATOM 0 HA TRP A 44 -13.137 -5.027 3.060 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.624 -6.001 1.308 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.467 -4.720 1.609 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.075 -4.794 3.836 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.666 -6.598 5.639 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.838 -8.015 2.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.854 -9.112 6.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -13.180 -10.104 3.892 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.695 -10.656 5.798 1.00 0.00 H new ATOM 712 N VAL A 45 -10.814 -2.671 3.165 1.00 0.00 N ATOM 713 CA VAL A 45 -10.218 -1.661 4.074 1.00 0.00 C ATOM 714 C VAL A 45 -11.285 -0.643 4.478 1.00 0.00 C ATOM 715 O VAL A 45 -12.196 -0.353 3.728 1.00 0.00 O ATOM 716 CB VAL A 45 -9.076 -0.946 3.353 1.00 0.00 C ATOM 717 CG1 VAL A 45 -8.291 -0.097 4.355 1.00 0.00 C ATOM 718 CG2 VAL A 45 -8.147 -1.985 2.723 1.00 0.00 C ATOM 0 H VAL A 45 -10.378 -2.735 2.245 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.835 -2.154 4.967 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.483 -0.301 2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.476 0.413 3.840 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.955 0.641 4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.882 -0.740 5.135 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.331 -1.478 2.208 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.740 -2.629 3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.707 -2.589 2.009 1.00 0.00 H new ATOM 728 N GLU A 46 -11.180 -0.093 5.657 1.00 0.00 N ATOM 729 CA GLU A 46 -12.191 0.908 6.098 1.00 0.00 C ATOM 730 C GLU A 46 -11.626 2.318 5.918 1.00 0.00 C ATOM 731 O GLU A 46 -10.515 2.611 6.314 1.00 0.00 O ATOM 732 CB GLU A 46 -12.535 0.681 7.571 1.00 0.00 C ATOM 733 CG GLU A 46 -11.267 0.316 8.345 1.00 0.00 C ATOM 734 CD GLU A 46 -11.164 -1.205 8.468 1.00 0.00 C ATOM 735 OE1 GLU A 46 -11.753 -1.887 7.645 1.00 0.00 O ATOM 736 OE2 GLU A 46 -10.499 -1.662 9.383 1.00 0.00 O ATOM 0 H GLU A 46 -10.441 -0.293 6.331 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.093 0.797 5.496 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.984 1.580 7.993 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.272 -0.117 7.664 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.389 0.710 7.833 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.289 0.771 9.335 1.00 0.00 H new ATOM 743 N TYR A 47 -12.388 3.191 5.324 1.00 0.00 N ATOM 744 CA TYR A 47 -11.911 4.587 5.113 1.00 0.00 C ATOM 745 C TYR A 47 -12.770 5.528 5.972 1.00 0.00 C ATOM 746 O TYR A 47 -13.792 5.111 6.480 1.00 0.00 O ATOM 747 CB TYR A 47 -12.049 4.930 3.622 1.00 0.00 C ATOM 748 CG TYR A 47 -11.012 4.169 2.811 1.00 0.00 C ATOM 749 CD1 TYR A 47 -9.920 3.550 3.443 1.00 0.00 C ATOM 750 CD2 TYR A 47 -11.139 4.085 1.417 1.00 0.00 C ATOM 751 CE1 TYR A 47 -8.970 2.856 2.684 1.00 0.00 C ATOM 752 CE2 TYR A 47 -10.186 3.385 0.667 1.00 0.00 C ATOM 753 CZ TYR A 47 -9.104 2.774 1.300 1.00 0.00 C ATOM 754 OH TYR A 47 -8.168 2.085 0.556 1.00 0.00 O ATOM 0 H TYR A 47 -13.326 2.998 4.973 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.866 4.696 5.404 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -13.051 4.677 3.274 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.922 6.002 3.475 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.813 3.610 4.516 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.972 4.561 0.921 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.131 2.383 3.173 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.289 3.318 -0.406 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.271 2.277 0.900 1.00 0.00 H new ATOM 764 N PRO A 48 -12.344 6.765 6.135 1.00 0.00 N ATOM 765 CA PRO A 48 -11.105 7.311 5.532 1.00 0.00 C ATOM 766 C PRO A 48 -9.857 6.571 6.019 1.00 0.00 C ATOM 767 O PRO A 48 -9.747 6.190 7.168 1.00 0.00 O ATOM 768 CB PRO A 48 -11.057 8.775 5.990 1.00 0.00 C ATOM 769 CG PRO A 48 -12.296 9.034 6.882 1.00 0.00 C ATOM 770 CD PRO A 48 -13.099 7.727 6.957 1.00 0.00 C ATOM 0 HA PRO A 48 -11.116 7.203 4.447 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.139 8.972 6.545 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.059 9.444 5.130 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.990 9.352 7.878 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.907 9.835 6.465 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -13.191 7.379 7.986 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -14.111 7.863 6.575 1.00 0.00 H new ATOM 778 N LEU A 49 -8.920 6.371 5.135 1.00 0.00 N ATOM 779 CA LEU A 49 -7.665 5.662 5.497 1.00 0.00 C ATOM 780 C LEU A 49 -6.486 6.605 5.286 1.00 0.00 C ATOM 781 O LEU A 49 -6.533 7.502 4.468 1.00 0.00 O ATOM 782 CB LEU A 49 -7.505 4.445 4.568 1.00 0.00 C ATOM 783 CG LEU A 49 -6.023 4.090 4.360 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.442 3.503 5.649 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.900 3.069 3.224 1.00 0.00 C ATOM 0 H LEU A 49 -8.973 6.674 4.163 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.700 5.340 6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.030 3.589 4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.969 4.657 3.605 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.468 4.992 4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.392 3.254 5.494 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.527 4.235 6.453 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.993 2.602 5.919 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.850 2.816 3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.457 2.169 3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.305 3.495 2.306 1.00 0.00 H new ATOM 797 N VAL A 50 -5.410 6.376 5.976 1.00 0.00 N ATOM 798 CA VAL A 50 -4.217 7.226 5.760 1.00 0.00 C ATOM 799 C VAL A 50 -3.111 6.318 5.212 1.00 0.00 C ATOM 800 O VAL A 50 -2.863 5.251 5.733 1.00 0.00 O ATOM 801 CB VAL A 50 -3.777 7.888 7.086 1.00 0.00 C ATOM 802 CG1 VAL A 50 -2.320 7.532 7.423 1.00 0.00 C ATOM 803 CG2 VAL A 50 -3.900 9.407 6.956 1.00 0.00 C ATOM 0 H VAL A 50 -5.306 5.641 6.676 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.435 8.030 5.057 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.421 7.520 7.885 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.036 8.010 8.360 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.224 6.451 7.524 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.666 7.882 6.624 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.591 9.878 7.889 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.261 9.756 6.144 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.936 9.671 6.742 1.00 0.00 H new ATOM 813 N LEU A 51 -2.427 6.734 4.195 1.00 0.00 N ATOM 814 CA LEU A 51 -1.327 5.890 3.670 1.00 0.00 C ATOM 815 C LEU A 51 -0.036 6.676 3.804 1.00 0.00 C ATOM 816 O LEU A 51 0.444 7.272 2.863 1.00 0.00 O ATOM 817 CB LEU A 51 -1.552 5.516 2.201 1.00 0.00 C ATOM 818 CG LEU A 51 -0.473 4.511 1.784 1.00 0.00 C ATOM 819 CD1 LEU A 51 -0.751 3.171 2.455 1.00 0.00 C ATOM 820 CD2 LEU A 51 -0.487 4.306 0.271 1.00 0.00 C ATOM 0 H LEU A 51 -2.578 7.616 3.705 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.285 4.961 4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.544 5.084 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.505 6.405 1.572 1.00 0.00 H new ATOM 0 HG LEU A 51 0.500 4.899 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.014 2.452 2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.736 3.296 3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.730 2.806 2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.286 3.589 -0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.461 3.926 -0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.296 5.257 -0.227 1.00 0.00 H new ATOM 832 N GLU A 52 0.521 6.684 4.978 1.00 0.00 N ATOM 833 CA GLU A 52 1.780 7.428 5.203 1.00 0.00 C ATOM 834 C GLU A 52 2.924 6.596 4.634 1.00 0.00 C ATOM 835 O GLU A 52 3.631 5.903 5.341 1.00 0.00 O ATOM 836 CB GLU A 52 1.973 7.641 6.705 1.00 0.00 C ATOM 837 CG GLU A 52 3.340 8.276 6.964 1.00 0.00 C ATOM 838 CD GLU A 52 3.214 9.330 8.064 1.00 0.00 C ATOM 839 OE1 GLU A 52 2.339 9.183 8.902 1.00 0.00 O ATOM 840 OE2 GLU A 52 3.995 10.268 8.051 1.00 0.00 O ATOM 0 H GLU A 52 0.152 6.202 5.798 1.00 0.00 H new ATOM 0 HA GLU A 52 1.753 8.402 4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.183 8.283 7.096 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.898 6.689 7.230 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.058 7.511 7.260 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.719 8.733 6.050 1.00 0.00 H new ATOM 847 N TRP A 53 3.086 6.648 3.343 1.00 0.00 N ATOM 848 CA TRP A 53 4.151 5.861 2.682 1.00 0.00 C ATOM 849 C TRP A 53 5.508 6.522 2.925 1.00 0.00 C ATOM 850 O TRP A 53 5.871 7.482 2.273 1.00 0.00 O ATOM 851 CB TRP A 53 3.864 5.802 1.181 1.00 0.00 C ATOM 852 CG TRP A 53 4.535 4.605 0.601 1.00 0.00 C ATOM 853 CD1 TRP A 53 5.858 4.345 0.697 1.00 0.00 C ATOM 854 CD2 TRP A 53 3.951 3.502 -0.157 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.128 3.158 0.049 1.00 0.00 N ATOM 856 CE2 TRP A 53 4.988 2.599 -0.493 1.00 0.00 C ATOM 857 CE3 TRP A 53 2.639 3.196 -0.582 1.00 0.00 C ATOM 858 CZ2 TRP A 53 4.740 1.440 -1.222 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.390 2.023 -1.322 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.441 1.150 -1.638 1.00 0.00 C ATOM 0 H TRP A 53 2.516 7.212 2.713 1.00 0.00 H new ATOM 0 HA TRP A 53 4.172 4.851 3.092 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.789 5.752 1.006 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.225 6.708 0.694 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.585 4.966 1.199 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.057 2.743 -0.021 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.825 3.863 -0.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.550 0.768 -1.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.386 1.795 -1.647 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.244 0.252 -2.204 1.00 0.00 H new ATOM 871 N ARG A 54 6.264 6.012 3.858 1.00 0.00 N ATOM 872 CA ARG A 54 7.600 6.604 4.143 1.00 0.00 C ATOM 873 C ARG A 54 8.644 5.922 3.258 1.00 0.00 C ATOM 874 O ARG A 54 8.684 4.713 3.150 1.00 0.00 O ATOM 875 CB ARG A 54 7.954 6.382 5.615 1.00 0.00 C ATOM 876 CG ARG A 54 7.641 7.648 6.414 1.00 0.00 C ATOM 877 CD ARG A 54 7.202 7.264 7.829 1.00 0.00 C ATOM 878 NE ARG A 54 8.325 7.500 8.779 1.00 0.00 N ATOM 879 CZ ARG A 54 8.097 7.528 10.064 1.00 0.00 C ATOM 880 NH1 ARG A 54 7.274 6.668 10.600 1.00 0.00 N ATOM 881 NH2 ARG A 54 8.694 8.414 10.814 1.00 0.00 N ATOM 0 H ARG A 54 6.013 5.210 4.436 1.00 0.00 H new ATOM 0 HA ARG A 54 7.582 7.674 3.935 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.388 5.540 6.013 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.010 6.131 5.712 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.520 8.291 6.457 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.854 8.217 5.920 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.333 7.852 8.124 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.902 6.216 7.857 1.00 0.00 H new ATOM 0 HE ARG A 54 9.272 7.640 8.426 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.809 5.974 10.015 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.096 6.690 11.604 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.339 9.085 10.396 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.516 8.436 11.818 1.00 0.00 H new ATOM 895 N GLN A 55 9.485 6.685 2.617 1.00 0.00 N ATOM 896 CA GLN A 55 10.517 6.072 1.736 1.00 0.00 C ATOM 897 C GLN A 55 9.828 5.380 0.559 1.00 0.00 C ATOM 898 O GLN A 55 9.340 4.274 0.675 1.00 0.00 O ATOM 899 CB GLN A 55 11.324 5.045 2.532 1.00 0.00 C ATOM 900 CG GLN A 55 12.789 5.482 2.590 1.00 0.00 C ATOM 901 CD GLN A 55 12.989 6.444 3.762 1.00 0.00 C ATOM 902 OE1 GLN A 55 12.069 7.127 4.166 1.00 0.00 O ATOM 903 NE2 GLN A 55 14.162 6.528 4.329 1.00 0.00 N ATOM 0 H GLN A 55 9.502 7.704 2.665 1.00 0.00 H new ATOM 0 HA GLN A 55 11.187 6.847 1.363 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.921 4.952 3.540 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.244 4.063 2.065 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.435 4.612 2.706 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.072 5.967 1.656 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.935 5.955 3.990 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.306 7.167 5.111 1.00 0.00 H new ATOM 912 N PHE A 56 9.779 6.025 -0.575 1.00 0.00 N ATOM 913 CA PHE A 56 9.116 5.405 -1.757 1.00 0.00 C ATOM 914 C PHE A 56 10.178 4.878 -2.724 1.00 0.00 C ATOM 915 O PHE A 56 10.350 3.685 -2.879 1.00 0.00 O ATOM 916 CB PHE A 56 8.253 6.455 -2.460 1.00 0.00 C ATOM 917 CG PHE A 56 7.196 5.769 -3.292 1.00 0.00 C ATOM 918 CD1 PHE A 56 6.067 5.216 -2.674 1.00 0.00 C ATOM 919 CD2 PHE A 56 7.342 5.690 -4.681 1.00 0.00 C ATOM 920 CE1 PHE A 56 5.087 4.582 -3.446 1.00 0.00 C ATOM 921 CE2 PHE A 56 6.361 5.057 -5.454 1.00 0.00 C ATOM 922 CZ PHE A 56 5.234 4.503 -4.836 1.00 0.00 C ATOM 0 H PHE A 56 10.169 6.954 -0.734 1.00 0.00 H new ATOM 0 HA PHE A 56 8.487 4.577 -1.431 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.784 7.107 -1.723 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.875 7.087 -3.094 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.953 5.279 -1.602 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.212 6.117 -5.157 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.217 4.154 -2.970 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.474 4.996 -6.526 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.477 4.014 -5.432 1.00 0.00 H new ATOM 932 N GLU A 57 10.895 5.753 -3.376 1.00 0.00 N ATOM 933 CA GLU A 57 11.945 5.290 -4.328 1.00 0.00 C ATOM 934 C GLU A 57 12.812 4.233 -3.646 1.00 0.00 C ATOM 935 O GLU A 57 13.188 3.245 -4.244 1.00 0.00 O ATOM 936 CB GLU A 57 12.822 6.468 -4.743 1.00 0.00 C ATOM 937 CG GLU A 57 12.178 7.194 -5.926 1.00 0.00 C ATOM 938 CD GLU A 57 13.266 7.657 -6.896 1.00 0.00 C ATOM 939 OE1 GLU A 57 14.312 8.075 -6.427 1.00 0.00 O ATOM 940 OE2 GLU A 57 13.035 7.585 -8.092 1.00 0.00 O ATOM 0 H GLU A 57 10.800 6.765 -3.291 1.00 0.00 H new ATOM 0 HA GLU A 57 11.469 4.865 -5.212 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.947 7.155 -3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.816 6.116 -5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.480 6.531 -6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.604 8.050 -5.572 1.00 0.00 H new ATOM 947 N GLN A 58 13.133 4.433 -2.397 1.00 0.00 N ATOM 948 CA GLN A 58 13.965 3.441 -1.678 1.00 0.00 C ATOM 949 C GLN A 58 13.176 2.139 -1.559 1.00 0.00 C ATOM 950 O GLN A 58 13.708 1.058 -1.709 1.00 0.00 O ATOM 951 CB GLN A 58 14.308 3.969 -0.283 1.00 0.00 C ATOM 952 CG GLN A 58 15.363 5.071 -0.402 1.00 0.00 C ATOM 953 CD GLN A 58 15.827 5.489 0.994 1.00 0.00 C ATOM 954 OE1 GLN A 58 16.599 4.793 1.624 1.00 0.00 O ATOM 955 NE2 GLN A 58 15.387 6.604 1.508 1.00 0.00 N ATOM 0 H GLN A 58 12.852 5.244 -1.846 1.00 0.00 H new ATOM 0 HA GLN A 58 14.892 3.265 -2.224 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.412 4.359 0.201 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.682 3.159 0.343 1.00 0.00 H new ATOM 0 HG2 GLN A 58 16.211 4.715 -0.987 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.949 5.929 -0.931 1.00 0.00 H new ATOM 0 HE21 GLN A 58 14.739 7.188 0.980 1.00 0.00 H new ATOM 0 HE22 GLN A 58 15.691 6.892 2.438 1.00 0.00 H new ATOM 964 N SER A 59 11.899 2.241 -1.305 1.00 0.00 N ATOM 965 CA SER A 59 11.061 1.017 -1.192 1.00 0.00 C ATOM 966 C SER A 59 10.639 0.574 -2.595 1.00 0.00 C ATOM 967 O SER A 59 9.853 -0.338 -2.759 1.00 0.00 O ATOM 968 CB SER A 59 9.818 1.321 -0.355 1.00 0.00 C ATOM 969 OG SER A 59 9.809 0.483 0.794 1.00 0.00 O ATOM 0 H SER A 59 11.401 3.121 -1.171 1.00 0.00 H new ATOM 0 HA SER A 59 11.631 0.223 -0.709 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.815 2.369 -0.055 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.918 1.156 -0.947 1.00 0.00 H new ATOM 0 HG SER A 59 9.477 -0.406 0.548 1.00 0.00 H new ATOM 975 N LYS A 60 11.169 1.204 -3.608 1.00 0.00 N ATOM 976 CA LYS A 60 10.815 0.812 -5.000 1.00 0.00 C ATOM 977 C LYS A 60 11.972 0.006 -5.597 1.00 0.00 C ATOM 978 O LYS A 60 11.786 -0.807 -6.480 1.00 0.00 O ATOM 979 CB LYS A 60 10.579 2.074 -5.836 1.00 0.00 C ATOM 980 CG LYS A 60 10.508 1.712 -7.323 1.00 0.00 C ATOM 981 CD LYS A 60 10.669 2.982 -8.162 1.00 0.00 C ATOM 982 CE LYS A 60 9.837 2.860 -9.440 1.00 0.00 C ATOM 983 NZ LYS A 60 10.619 3.389 -10.593 1.00 0.00 N ATOM 0 H LYS A 60 11.833 1.974 -3.530 1.00 0.00 H new ATOM 0 HA LYS A 60 9.909 0.207 -4.999 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.652 2.557 -5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.384 2.789 -5.665 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.291 0.996 -7.572 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.555 1.233 -7.547 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.349 3.852 -7.589 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.719 3.134 -8.412 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.570 1.818 -9.615 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.904 3.414 -9.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.054 3.307 -11.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.852 4.389 -10.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.497 2.842 -10.697 1.00 0.00 H new ATOM 1083 N ALA A 67 6.698 -0.683 -5.018 1.00 0.00 N ATOM 1084 CA ALA A 67 5.787 0.287 -4.364 1.00 0.00 C ATOM 1085 C ALA A 67 5.045 1.119 -5.412 1.00 0.00 C ATOM 1086 O ALA A 67 4.011 1.696 -5.138 1.00 0.00 O ATOM 1087 CB ALA A 67 6.610 1.215 -3.472 1.00 0.00 C ATOM 0 HA ALA A 67 5.054 -0.258 -3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.949 1.933 -2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.127 0.627 -2.714 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.342 1.748 -4.079 1.00 0.00 H new ATOM 1093 N GLU A 68 5.562 1.197 -6.604 1.00 0.00 N ATOM 1094 CA GLU A 68 4.893 1.995 -7.654 1.00 0.00 C ATOM 1095 C GLU A 68 3.543 1.355 -8.017 1.00 0.00 C ATOM 1096 O GLU A 68 2.639 2.019 -8.486 1.00 0.00 O ATOM 1097 CB GLU A 68 5.840 2.082 -8.869 1.00 0.00 C ATOM 1098 CG GLU A 68 5.224 1.414 -10.100 1.00 0.00 C ATOM 1099 CD GLU A 68 6.087 1.708 -11.329 1.00 0.00 C ATOM 1100 OE1 GLU A 68 7.292 1.539 -11.236 1.00 0.00 O ATOM 1101 OE2 GLU A 68 5.529 2.096 -12.341 1.00 0.00 O ATOM 0 H GLU A 68 6.425 0.738 -6.894 1.00 0.00 H new ATOM 0 HA GLU A 68 4.682 3.005 -7.302 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.057 3.127 -9.090 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.789 1.603 -8.629 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.150 0.338 -9.944 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.211 1.783 -10.258 1.00 0.00 H new ATOM 1108 N SER A 69 3.404 0.074 -7.812 1.00 0.00 N ATOM 1109 CA SER A 69 2.117 -0.601 -8.153 1.00 0.00 C ATOM 1110 C SER A 69 1.088 -0.379 -7.038 1.00 0.00 C ATOM 1111 O SER A 69 0.019 0.164 -7.262 1.00 0.00 O ATOM 1112 CB SER A 69 2.363 -2.100 -8.323 1.00 0.00 C ATOM 1113 OG SER A 69 2.110 -2.467 -9.673 1.00 0.00 O ATOM 0 H SER A 69 4.124 -0.535 -7.424 1.00 0.00 H new ATOM 0 HA SER A 69 1.730 -0.179 -9.081 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.391 -2.344 -8.054 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.715 -2.665 -7.653 1.00 0.00 H new ATOM 0 HG SER A 69 2.268 -3.427 -9.786 1.00 0.00 H new ATOM 1119 N VAL A 70 1.394 -0.795 -5.838 1.00 0.00 N ATOM 1120 CA VAL A 70 0.431 -0.612 -4.723 1.00 0.00 C ATOM 1121 C VAL A 70 0.065 0.862 -4.625 1.00 0.00 C ATOM 1122 O VAL A 70 -1.063 1.215 -4.350 1.00 0.00 O ATOM 1123 CB VAL A 70 1.071 -1.066 -3.416 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.111 -0.783 -2.263 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.366 -2.566 -3.483 1.00 0.00 C ATOM 0 H VAL A 70 2.270 -1.253 -5.586 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.465 -1.204 -4.908 1.00 0.00 H new ATOM 0 HB VAL A 70 2.003 -0.524 -3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.563 -1.106 -1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.097 0.286 -2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.820 -1.327 -2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.824 -2.889 -2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.436 -3.113 -3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.049 -2.766 -4.309 1.00 0.00 H new ATOM 1135 N LEU A 71 1.010 1.727 -4.857 1.00 0.00 N ATOM 1136 CA LEU A 71 0.713 3.181 -4.789 1.00 0.00 C ATOM 1137 C LEU A 71 -0.314 3.519 -5.861 1.00 0.00 C ATOM 1138 O LEU A 71 -1.311 4.146 -5.596 1.00 0.00 O ATOM 1139 CB LEU A 71 1.982 3.978 -5.054 1.00 0.00 C ATOM 1140 CG LEU A 71 1.644 5.468 -5.117 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.286 5.973 -3.718 1.00 0.00 C ATOM 1142 CD2 LEU A 71 2.853 6.244 -5.645 1.00 0.00 C ATOM 0 H LEU A 71 1.974 1.490 -5.091 1.00 0.00 H new ATOM 0 HA LEU A 71 0.328 3.430 -3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.712 3.793 -4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.437 3.657 -5.991 1.00 0.00 H new ATOM 0 HG LEU A 71 0.795 5.618 -5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.045 7.035 -3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.424 5.422 -3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.133 5.822 -3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.612 7.306 -5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.702 6.092 -4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.107 5.887 -6.643 1.00 0.00 H new ATOM 1154 N GLN A 72 -0.077 3.104 -7.074 1.00 0.00 N ATOM 1155 CA GLN A 72 -1.048 3.402 -8.160 1.00 0.00 C ATOM 1156 C GLN A 72 -2.422 2.889 -7.747 1.00 0.00 C ATOM 1157 O GLN A 72 -3.438 3.454 -8.090 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.609 2.706 -9.448 1.00 0.00 C ATOM 1159 CG GLN A 72 -0.371 3.753 -10.534 1.00 0.00 C ATOM 1160 CD GLN A 72 -1.502 3.692 -11.562 1.00 0.00 C ATOM 1161 OE1 GLN A 72 -1.260 3.516 -12.739 1.00 0.00 O ATOM 1162 NE2 GLN A 72 -2.737 3.831 -11.163 1.00 0.00 N ATOM 0 H GLN A 72 0.746 2.573 -7.359 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.090 4.478 -8.332 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.302 2.134 -9.273 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.373 1.998 -9.771 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.323 4.747 -10.090 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.587 3.575 -11.022 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.940 3.979 -10.174 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.499 3.792 -11.840 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.455 1.816 -7.012 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.753 1.257 -6.565 1.00 0.00 C ATOM 1173 C VAL A 73 -4.315 2.115 -5.428 1.00 0.00 C ATOM 1174 O VAL A 73 -5.510 2.229 -5.263 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.538 -0.176 -6.077 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.748 -0.659 -5.266 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -3.325 -1.088 -7.287 1.00 0.00 C ATOM 0 H VAL A 73 -1.632 1.300 -6.701 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.461 1.257 -7.394 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.661 -0.205 -5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.575 -1.681 -4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.889 -0.010 -4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.640 -0.630 -5.891 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.171 -2.112 -6.948 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.203 -1.048 -7.932 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.450 -0.755 -7.844 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.469 2.711 -4.632 1.00 0.00 N ATOM 1188 CA PHE A 74 -3.984 3.549 -3.508 1.00 0.00 C ATOM 1189 C PHE A 74 -4.518 4.880 -4.055 1.00 0.00 C ATOM 1190 O PHE A 74 -5.512 5.403 -3.589 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.858 3.808 -2.502 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.923 2.775 -1.405 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.908 2.867 -0.415 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -2.001 1.722 -1.380 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -3.971 1.907 0.600 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -2.063 0.761 -0.364 1.00 0.00 C ATOM 1197 CZ PHE A 74 -3.048 0.854 0.626 1.00 0.00 C ATOM 0 H PHE A 74 -2.453 2.656 -4.708 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.796 3.022 -3.006 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.891 3.764 -3.002 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.954 4.809 -2.081 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.619 3.679 -0.435 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.242 1.651 -2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.731 1.978 1.364 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.352 -0.051 -0.344 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.096 0.113 1.410 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.872 5.422 -5.049 1.00 0.00 N ATOM 1208 CA ARG A 75 -4.329 6.700 -5.647 1.00 0.00 C ATOM 1209 C ARG A 75 -5.514 6.411 -6.551 1.00 0.00 C ATOM 1210 O ARG A 75 -6.449 7.175 -6.638 1.00 0.00 O ATOM 1211 CB ARG A 75 -3.205 7.288 -6.486 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.497 8.399 -5.710 1.00 0.00 C ATOM 1213 CD ARG A 75 -3.396 9.637 -5.662 1.00 0.00 C ATOM 1214 NE ARG A 75 -3.166 10.475 -6.876 1.00 0.00 N ATOM 1215 CZ ARG A 75 -1.962 10.614 -7.362 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -1.178 11.551 -6.902 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -1.543 9.819 -8.308 1.00 0.00 N ATOM 0 H ARG A 75 -3.035 5.025 -5.476 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.610 7.402 -4.862 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.492 6.507 -6.751 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.606 7.684 -7.419 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.268 8.063 -4.699 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.548 8.643 -6.187 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.442 9.336 -5.609 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.185 10.217 -4.763 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.953 10.941 -7.328 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.506 12.174 -6.164 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.237 11.660 -7.281 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.156 9.088 -8.669 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.602 9.929 -8.687 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.470 5.294 -7.217 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.584 4.902 -8.113 1.00 0.00 C ATOM 1233 C GLU A 76 -7.815 4.700 -7.240 1.00 0.00 C ATOM 1234 O GLU A 76 -8.891 5.176 -7.538 1.00 0.00 O ATOM 1235 CB GLU A 76 -6.220 3.591 -8.801 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.566 3.863 -10.155 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.648 4.118 -11.206 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -7.125 3.154 -11.782 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -6.981 5.273 -11.417 1.00 0.00 O ATOM 0 H GLU A 76 -4.698 4.629 -7.176 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.774 5.662 -8.871 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.540 3.019 -8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.115 2.984 -8.938 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.904 4.726 -10.083 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.951 3.013 -10.450 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.646 4.015 -6.139 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.778 3.807 -5.215 1.00 0.00 C ATOM 1248 C ALA A 77 -9.177 5.185 -4.714 1.00 0.00 C ATOM 1249 O ALA A 77 -10.342 5.501 -4.576 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.351 2.915 -4.043 1.00 0.00 C ATOM 0 H ALA A 77 -6.765 3.592 -5.847 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.611 3.311 -5.713 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.196 2.770 -3.370 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.020 1.949 -4.423 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.533 3.392 -3.502 1.00 0.00 H new ATOM 1256 N LYS A 78 -8.203 6.032 -4.490 1.00 0.00 N ATOM 1257 CA LYS A 78 -8.518 7.416 -4.057 1.00 0.00 C ATOM 1258 C LYS A 78 -9.346 8.056 -5.162 1.00 0.00 C ATOM 1259 O LYS A 78 -10.166 8.925 -4.941 1.00 0.00 O ATOM 1260 CB LYS A 78 -7.217 8.196 -3.924 1.00 0.00 C ATOM 1261 CG LYS A 78 -7.297 9.140 -2.722 1.00 0.00 C ATOM 1262 CD LYS A 78 -7.982 10.441 -3.142 1.00 0.00 C ATOM 1263 CE LYS A 78 -7.130 11.634 -2.703 1.00 0.00 C ATOM 1264 NZ LYS A 78 -6.224 12.034 -3.816 1.00 0.00 N ATOM 0 H LYS A 78 -7.210 5.821 -4.589 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.052 7.416 -3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.381 7.508 -3.802 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.030 8.766 -4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.853 8.668 -1.912 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.297 9.349 -2.343 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.121 10.458 -4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.973 10.504 -2.692 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.772 12.470 -2.424 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.546 11.372 -1.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.645 12.845 -3.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.603 11.237 -4.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.791 12.300 -4.646 1.00 0.00 H new ATOM 1278 N ALA A 79 -9.104 7.615 -6.361 1.00 0.00 N ATOM 1279 CA ALA A 79 -9.814 8.143 -7.541 1.00 0.00 C ATOM 1280 C ALA A 79 -11.194 7.500 -7.627 1.00 0.00 C ATOM 1281 O ALA A 79 -12.116 8.036 -8.209 1.00 0.00 O ATOM 1282 CB ALA A 79 -9.002 7.769 -8.774 1.00 0.00 C ATOM 0 H ALA A 79 -8.421 6.888 -6.572 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.930 9.225 -7.471 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.501 8.146 -9.667 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.007 8.209 -8.702 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.915 6.684 -8.837 1.00 0.00 H new ATOM 1288 N GLU A 80 -11.323 6.339 -7.059 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.611 5.608 -7.094 1.00 0.00 C ATOM 1290 C GLU A 80 -13.606 6.194 -6.084 1.00 0.00 C ATOM 1291 O GLU A 80 -14.611 5.586 -5.774 1.00 0.00 O ATOM 1292 CB GLU A 80 -12.341 4.143 -6.756 1.00 0.00 C ATOM 1293 CG GLU A 80 -12.036 3.384 -8.045 1.00 0.00 C ATOM 1294 CD GLU A 80 -13.019 2.222 -8.201 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -13.646 1.867 -7.217 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -13.128 1.708 -9.302 1.00 0.00 O ATOM 0 H GLU A 80 -10.574 5.857 -6.562 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.049 5.700 -8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.502 4.064 -6.065 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.206 3.706 -6.257 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.112 4.055 -8.901 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.013 3.008 -8.024 1.00 0.00 H new ATOM 1303 N GLY A 81 -13.345 7.364 -5.566 1.00 0.00 N ATOM 1304 CA GLY A 81 -14.288 7.964 -4.582 1.00 0.00 C ATOM 1305 C GLY A 81 -13.890 7.526 -3.175 1.00 0.00 C ATOM 1306 O GLY A 81 -14.219 8.168 -2.197 1.00 0.00 O ATOM 0 H GLY A 81 -12.523 7.928 -5.781 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.268 9.051 -4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -15.309 7.649 -4.799 1.00 0.00 H new ATOM 1310 N CYS A 82 -13.180 6.437 -3.064 1.00 0.00 N ATOM 1311 CA CYS A 82 -12.757 5.960 -1.723 1.00 0.00 C ATOM 1312 C CYS A 82 -11.930 7.050 -1.043 1.00 0.00 C ATOM 1313 O CYS A 82 -11.344 7.893 -1.693 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.913 4.696 -1.881 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.714 3.574 -3.054 1.00 0.00 S ATOM 0 H CYS A 82 -12.876 5.858 -3.847 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.633 5.735 -1.115 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.915 4.955 -2.234 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -11.793 4.204 -0.916 1.00 0.00 H new ATOM 0 HG CYS A 82 -11.993 2.500 -3.189 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.886 7.050 0.259 1.00 0.00 N ATOM 1322 CA ASP A 83 -11.107 8.097 0.972 1.00 0.00 C ATOM 1323 C ASP A 83 -9.789 7.514 1.492 1.00 0.00 C ATOM 1324 O ASP A 83 -9.771 6.634 2.326 1.00 0.00 O ATOM 1325 CB ASP A 83 -11.935 8.622 2.145 1.00 0.00 C ATOM 1326 CG ASP A 83 -11.302 9.904 2.688 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -10.085 9.990 2.680 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -12.045 10.778 3.103 1.00 0.00 O ATOM 0 H ASP A 83 -12.355 6.371 0.859 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.882 8.911 0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.958 8.818 1.822 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.988 7.869 2.932 1.00 0.00 H new ATOM 1333 N ILE A 84 -8.687 8.011 0.998 1.00 0.00 N ATOM 1334 CA ILE A 84 -7.351 7.519 1.446 1.00 0.00 C ATOM 1335 C ILE A 84 -6.395 8.718 1.496 1.00 0.00 C ATOM 1336 O ILE A 84 -6.574 9.686 0.784 1.00 0.00 O ATOM 1337 CB ILE A 84 -6.842 6.484 0.443 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -7.580 5.176 0.659 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -5.345 6.242 0.624 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -8.250 4.785 -0.647 1.00 0.00 C ATOM 0 H ILE A 84 -8.655 8.747 0.293 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.416 7.056 2.431 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.019 6.861 -0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.887 4.397 0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.323 5.285 1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.006 5.502 -0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.804 7.176 0.469 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.155 5.876 1.633 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.787 3.846 -0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.951 5.565 -0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.493 4.663 -1.422 1.00 0.00 H new ATOM 1352 N THR A 85 -5.389 8.676 2.328 1.00 0.00 N ATOM 1353 CA THR A 85 -4.449 9.834 2.404 1.00 0.00 C ATOM 1354 C THR A 85 -3.106 9.460 1.774 1.00 0.00 C ATOM 1355 O THR A 85 -2.176 9.075 2.453 1.00 0.00 O ATOM 1356 CB THR A 85 -4.233 10.227 3.867 1.00 0.00 C ATOM 1357 OG1 THR A 85 -5.489 10.291 4.528 1.00 0.00 O ATOM 1358 CG2 THR A 85 -3.548 11.593 3.934 1.00 0.00 C ATOM 0 H THR A 85 -5.178 7.898 2.953 1.00 0.00 H new ATOM 0 HA THR A 85 -4.879 10.675 1.860 1.00 0.00 H new ATOM 0 HB THR A 85 -3.603 9.483 4.355 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.889 9.397 4.559 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.394 11.872 4.976 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.585 11.542 3.426 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.176 12.339 3.447 1.00 0.00 H new ATOM 1366 N ILE A 86 -2.996 9.577 0.482 1.00 0.00 N ATOM 1367 CA ILE A 86 -1.713 9.232 -0.190 1.00 0.00 C ATOM 1368 C ILE A 86 -0.613 10.180 0.290 1.00 0.00 C ATOM 1369 O ILE A 86 -0.506 11.305 -0.156 1.00 0.00 O ATOM 1370 CB ILE A 86 -1.888 9.364 -1.702 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -3.100 8.537 -2.132 1.00 0.00 C ATOM 1372 CG2 ILE A 86 -0.636 8.845 -2.411 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -2.894 7.079 -1.714 1.00 0.00 C ATOM 0 H ILE A 86 -3.739 9.897 -0.139 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.432 8.208 0.055 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.040 10.410 -1.967 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.006 8.934 -1.674 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.234 8.602 -3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.763 8.940 -3.489 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.229 9.428 -2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.481 7.797 -2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.757 6.487 -2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.997 6.686 -2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.781 7.023 -0.631 1.00 0.00 H new ATOM 1385 N ILE A 87 0.204 9.731 1.203 1.00 0.00 N ATOM 1386 CA ILE A 87 1.299 10.597 1.725 1.00 0.00 C ATOM 1387 C ILE A 87 2.651 9.980 1.354 1.00 0.00 C ATOM 1388 O ILE A 87 2.964 8.874 1.741 1.00 0.00 O ATOM 1389 CB ILE A 87 1.170 10.694 3.249 1.00 0.00 C ATOM 1390 CG1 ILE A 87 0.012 11.632 3.600 1.00 0.00 C ATOM 1391 CG2 ILE A 87 2.466 11.240 3.855 1.00 0.00 C ATOM 1392 CD1 ILE A 87 -0.162 11.683 5.119 1.00 0.00 C ATOM 0 H ILE A 87 0.160 8.797 1.612 1.00 0.00 H new ATOM 0 HA ILE A 87 1.230 11.594 1.290 1.00 0.00 H new ATOM 0 HB ILE A 87 0.979 9.700 3.654 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.209 12.631 3.212 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.907 11.284 3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.362 11.304 4.938 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.292 10.573 3.609 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.667 12.232 3.450 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.986 12.351 5.369 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.379 10.683 5.494 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.755 12.052 5.578 1.00 0.00 H new ATOM 1404 N LEU A 88 3.455 10.683 0.606 1.00 0.00 N ATOM 1405 CA LEU A 88 4.781 10.126 0.216 1.00 0.00 C ATOM 1406 C LEU A 88 5.893 10.943 0.878 1.00 0.00 C ATOM 1407 O LEU A 88 6.002 12.136 0.678 1.00 0.00 O ATOM 1408 CB LEU A 88 4.934 10.191 -1.304 1.00 0.00 C ATOM 1409 CG LEU A 88 4.451 8.877 -1.920 1.00 0.00 C ATOM 1410 CD1 LEU A 88 3.050 9.070 -2.501 1.00 0.00 C ATOM 1411 CD2 LEU A 88 5.410 8.452 -3.033 1.00 0.00 C ATOM 0 H LEU A 88 3.252 11.617 0.249 1.00 0.00 H new ATOM 0 HA LEU A 88 4.850 9.089 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.358 11.026 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.977 10.368 -1.568 1.00 0.00 H new ATOM 0 HG LEU A 88 4.422 8.105 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.706 8.133 -2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.366 9.372 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.078 9.842 -3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.066 7.516 -3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.440 9.224 -3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.409 8.313 -2.619 1.00 0.00 H new ATOM 1423 N SER A 89 6.720 10.309 1.664 1.00 0.00 N ATOM 1424 CA SER A 89 7.825 11.050 2.336 1.00 0.00 C ATOM 1425 C SER A 89 9.153 10.714 1.655 1.00 0.00 C ATOM 1426 O SER A 89 10.129 10.524 2.363 1.00 0.00 O ATOM 1427 CB SER A 89 7.888 10.643 3.809 1.00 0.00 C ATOM 1428 OG SER A 89 7.553 11.762 4.620 1.00 0.00 O ATOM 1429 OXT SER A 89 9.173 10.652 0.437 1.00 0.00 O ATOM 0 H SER A 89 6.678 9.311 1.870 1.00 0.00 H new ATOM 0 HA SER A 89 7.642 12.122 2.263 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.199 9.821 4.001 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.887 10.286 4.057 1.00 0.00 H new ATOM 0 HG SER A 89 7.591 11.504 5.565 1.00 0.00 H new