USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 687 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 14 HIS : no HD1:sc= -0.599 X(o=-0.6,f=-0.8) USER MOD Set 1.2: A 89 ASN : amide:sc= 0 X(o=-0.6,f=-0.87) USER MOD Single : A 8 TYR OH : rot 3:sc= 1.22 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -176:sc= 0 (180deg=-0.0115) USER MOD Single : A 20 SER OG : rot 68:sc= 1.19 USER MOD Single : A 34 GLN : amide:sc= -0.753 K(o=-0.75,f=-3.4!) USER MOD Single : A 44 MET CE :methyl -174:sc= 0 (180deg=-0.0677) USER MOD Single : A 46 SER OG : rot -28:sc= 0.413 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.0116 X(o=-0.012,f=-0.24) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -177:sc= -0.199 (180deg=-0.233) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.021 X(o=-0.021,f=-0.15) USER MOD Single : A 85 ASN : amide:sc= 0.731 K(o=0.73,f=-1.3!) USER MOD Single : A 87 GLN : amide:sc= 0.0346 X(o=0.035,f=-0.15) USER MOD Single : A 91 THR OG1 : rot -78:sc= 1.26 USER MOD Single : A 95 LYS NZ :NH3+ -160:sc= -0.0559 (180deg=-0.269) USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -13.823 -7.984 11.784 1.00 0.00 N ATOM 67 CA TYR A 8 -12.959 -8.086 10.603 1.00 0.00 C ATOM 68 C TYR A 8 -11.522 -8.422 11.001 1.00 0.00 C ATOM 69 O TYR A 8 -11.085 -8.111 12.116 1.00 0.00 O ATOM 70 CB TYR A 8 -13.064 -6.815 9.736 1.00 0.00 C ATOM 71 CG TYR A 8 -12.207 -5.679 10.208 1.00 0.00 C ATOM 72 CD1 TYR A 8 -10.858 -5.697 9.858 1.00 0.00 C ATOM 73 CD2 TYR A 8 -12.722 -4.648 11.006 1.00 0.00 C ATOM 74 CE1 TYR A 8 -9.991 -4.731 10.362 1.00 0.00 C ATOM 75 CE2 TYR A 8 -11.860 -3.639 11.485 1.00 0.00 C ATOM 76 CZ TYR A 8 -10.478 -3.685 11.170 1.00 0.00 C ATOM 77 OH TYR A 8 -9.610 -2.734 11.612 1.00 0.00 O ATOM 0 HA TYR A 8 -13.307 -8.914 9.985 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.787 -7.063 8.711 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.103 -6.487 9.715 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.484 -6.462 9.194 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -13.773 -4.626 11.253 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.937 -4.784 10.132 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -12.251 -2.834 12.090 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.719 -2.907 11.242 1.00 0.00 H new ATOM 87 N LYS A 9 -10.776 -9.022 10.068 1.00 0.00 N ATOM 88 CA LYS A 9 -9.338 -9.234 10.192 1.00 0.00 C ATOM 89 C LYS A 9 -8.645 -8.436 9.102 1.00 0.00 C ATOM 90 O LYS A 9 -9.157 -8.376 7.978 1.00 0.00 O ATOM 91 CB LYS A 9 -8.999 -10.735 10.137 1.00 0.00 C ATOM 92 CG LYS A 9 -9.073 -11.390 8.748 1.00 0.00 C ATOM 93 CD LYS A 9 -8.888 -12.907 8.873 1.00 0.00 C ATOM 94 CE LYS A 9 -8.821 -13.556 7.488 1.00 0.00 C ATOM 95 NZ LYS A 9 -8.559 -15.006 7.567 1.00 0.00 N ATOM 0 H LYS A 9 -11.164 -9.378 9.194 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.981 -8.883 11.160 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.992 -10.875 10.530 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.678 -11.266 10.804 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.034 -11.170 8.284 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.303 -10.974 8.099 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.974 -13.123 9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.714 -13.334 9.442 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.761 -13.386 6.962 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.037 -13.078 6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.522 -15.405 6.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.650 -15.169 8.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.320 -15.468 8.104 1.00 0.00 H new ATOM 109 N GLU A 10 -7.522 -7.819 9.437 1.00 0.00 N ATOM 110 CA GLU A 10 -6.577 -7.289 8.469 1.00 0.00 C ATOM 111 C GLU A 10 -5.682 -8.470 8.057 1.00 0.00 C ATOM 112 O GLU A 10 -5.481 -9.411 8.837 1.00 0.00 O ATOM 113 CB GLU A 10 -5.792 -6.135 9.134 1.00 0.00 C ATOM 114 CG GLU A 10 -6.446 -4.787 8.809 1.00 0.00 C ATOM 115 CD GLU A 10 -6.325 -3.672 9.856 1.00 0.00 C ATOM 116 OE1 GLU A 10 -5.213 -3.442 10.388 1.00 0.00 O ATOM 117 OE2 GLU A 10 -7.365 -3.018 10.118 1.00 0.00 O ATOM 0 H GLU A 10 -7.238 -7.671 10.405 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.049 -6.874 7.579 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.763 -6.281 10.214 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.760 -6.140 8.784 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.017 -4.421 7.876 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.506 -4.963 8.625 1.00 0.00 H new ATOM 124 N LEU A 11 -5.135 -8.447 6.846 1.00 0.00 N ATOM 125 CA LEU A 11 -4.124 -9.367 6.340 1.00 0.00 C ATOM 126 C LEU A 11 -3.069 -8.494 5.675 1.00 0.00 C ATOM 127 O LEU A 11 -3.398 -7.655 4.838 1.00 0.00 O ATOM 128 CB LEU A 11 -4.646 -10.375 5.300 1.00 0.00 C ATOM 129 CG LEU A 11 -5.809 -11.299 5.716 1.00 0.00 C ATOM 130 CD1 LEU A 11 -7.179 -10.705 5.365 1.00 0.00 C ATOM 131 CD2 LEU A 11 -5.706 -12.639 4.973 1.00 0.00 C ATOM 0 H LEU A 11 -5.400 -7.747 6.153 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.754 -9.965 7.173 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.961 -9.815 4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.810 -11.005 4.995 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.730 -11.424 6.796 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.965 -11.393 5.678 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.305 -9.752 5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.242 -10.547 4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.531 -13.285 5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.754 -12.464 3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.760 -13.120 5.220 1.00 0.00 H new ATOM 143 N ASP A 12 -1.815 -8.683 6.051 1.00 0.00 N ATOM 144 CA ASP A 12 -0.681 -7.986 5.453 1.00 0.00 C ATOM 145 C ASP A 12 -0.275 -8.686 4.164 1.00 0.00 C ATOM 146 O ASP A 12 -0.431 -9.912 4.027 1.00 0.00 O ATOM 147 CB ASP A 12 0.490 -7.945 6.451 1.00 0.00 C ATOM 148 CG ASP A 12 0.335 -6.822 7.477 1.00 0.00 C ATOM 149 OD1 ASP A 12 0.344 -5.637 7.062 1.00 0.00 O ATOM 150 OD2 ASP A 12 0.244 -7.099 8.689 1.00 0.00 O ATOM 0 H ASP A 12 -1.549 -9.333 6.790 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.963 -6.960 5.215 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.557 -8.902 6.969 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.425 -7.811 5.907 1.00 0.00 H new ATOM 155 N VAL A 13 0.253 -7.905 3.218 1.00 0.00 N ATOM 156 CA VAL A 13 0.831 -8.416 1.989 1.00 0.00 C ATOM 157 C VAL A 13 2.097 -7.616 1.693 1.00 0.00 C ATOM 158 O VAL A 13 2.021 -6.485 1.216 1.00 0.00 O ATOM 159 CB VAL A 13 -0.199 -8.294 0.847 1.00 0.00 C ATOM 160 CG1 VAL A 13 0.380 -8.917 -0.435 1.00 0.00 C ATOM 161 CG2 VAL A 13 -1.542 -8.942 1.190 1.00 0.00 C ATOM 0 H VAL A 13 0.288 -6.888 3.292 1.00 0.00 H new ATOM 0 HA VAL A 13 1.092 -9.470 2.085 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.393 -7.233 0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.348 -8.831 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.294 -8.393 -0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.604 -9.969 -0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.227 -8.826 0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.393 -10.003 1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.964 -8.460 2.072 1.00 0.00 H new ATOM 171 N HIS A 14 3.267 -8.227 1.877 1.00 0.00 N ATOM 172 CA HIS A 14 4.502 -7.698 1.321 1.00 0.00 C ATOM 173 C HIS A 14 4.524 -8.006 -0.170 1.00 0.00 C ATOM 174 O HIS A 14 4.139 -9.107 -0.565 1.00 0.00 O ATOM 175 CB HIS A 14 5.706 -8.356 1.999 1.00 0.00 C ATOM 176 CG HIS A 14 7.029 -7.897 1.446 1.00 0.00 C ATOM 177 ND1 HIS A 14 7.665 -6.716 1.746 1.00 0.00 N ATOM 178 CD2 HIS A 14 7.815 -8.584 0.560 1.00 0.00 C ATOM 179 CE1 HIS A 14 8.840 -6.724 1.100 1.00 0.00 C ATOM 180 NE2 HIS A 14 8.969 -7.825 0.337 1.00 0.00 N ATOM 0 H HIS A 14 3.381 -9.090 2.409 1.00 0.00 H new ATOM 0 HA HIS A 14 4.554 -6.622 1.487 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.673 -8.142 3.067 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.630 -9.438 1.888 1.00 0.00 H new ATOM 0 HD2 HIS A 14 7.585 -9.540 0.113 1.00 0.00 H new ATOM 0 HE1 HIS A 14 9.586 -5.947 1.181 1.00 0.00 H new ATOM 0 HE2 HIS A 14 9.749 -8.058 -0.278 1.00 0.00 H new ATOM 188 N LEU A 15 5.055 -7.095 -0.989 1.00 0.00 N ATOM 189 CA LEU A 15 5.472 -7.395 -2.356 1.00 0.00 C ATOM 190 C LEU A 15 6.807 -6.727 -2.618 1.00 0.00 C ATOM 191 O LEU A 15 6.979 -5.526 -2.403 1.00 0.00 O ATOM 192 CB LEU A 15 4.468 -6.897 -3.403 1.00 0.00 C ATOM 193 CG LEU A 15 3.115 -7.607 -3.373 1.00 0.00 C ATOM 194 CD1 LEU A 15 2.185 -6.917 -4.379 1.00 0.00 C ATOM 195 CD2 LEU A 15 3.213 -9.093 -3.721 1.00 0.00 C ATOM 0 H LEU A 15 5.208 -6.123 -0.718 1.00 0.00 H new ATOM 0 HA LEU A 15 5.538 -8.479 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.307 -5.829 -3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.906 -7.018 -4.394 1.00 0.00 H new ATOM 0 HG LEU A 15 2.729 -7.542 -2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.213 -7.410 -4.373 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.063 -5.870 -4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.618 -6.981 -5.377 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.220 -9.542 -3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.624 -9.205 -4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.865 -9.592 -3.004 1.00 0.00 H new ATOM 207 N ARG A 16 7.745 -7.494 -3.159 1.00 0.00 N ATOM 208 CA ARG A 16 9.047 -6.960 -3.561 1.00 0.00 C ATOM 209 C ARG A 16 8.974 -6.303 -4.935 1.00 0.00 C ATOM 210 O ARG A 16 8.169 -6.705 -5.783 1.00 0.00 O ATOM 211 CB ARG A 16 10.102 -8.068 -3.490 1.00 0.00 C ATOM 212 CG ARG A 16 9.882 -9.215 -4.492 1.00 0.00 C ATOM 213 CD ARG A 16 10.537 -10.511 -4.007 1.00 0.00 C ATOM 214 NE ARG A 16 9.856 -11.077 -2.826 1.00 0.00 N ATOM 215 CZ ARG A 16 10.295 -11.085 -1.560 1.00 0.00 C ATOM 216 NH1 ARG A 16 11.443 -10.496 -1.236 1.00 0.00 N ATOM 217 NH2 ARG A 16 9.576 -11.652 -0.604 1.00 0.00 N ATOM 0 H ARG A 16 7.631 -8.493 -3.331 1.00 0.00 H new ATOM 0 HA ARG A 16 9.344 -6.174 -2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.085 -7.630 -3.666 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.113 -8.480 -2.481 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.813 -9.376 -4.634 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.295 -8.937 -5.462 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.528 -11.244 -4.814 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.582 -10.318 -3.763 1.00 0.00 H new ATOM 0 HE ARG A 16 8.948 -11.511 -2.993 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.999 -10.032 -1.955 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.767 -10.508 -0.269 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.681 -12.087 -0.829 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.917 -11.654 0.357 1.00 0.00 H new ATOM 231 N ARG A 17 9.859 -5.340 -5.204 1.00 0.00 N ATOM 232 CA ARG A 17 10.030 -4.734 -6.519 1.00 0.00 C ATOM 233 C ARG A 17 11.358 -5.238 -7.074 1.00 0.00 C ATOM 234 O ARG A 17 12.396 -4.606 -6.860 1.00 0.00 O ATOM 235 CB ARG A 17 9.984 -3.200 -6.387 1.00 0.00 C ATOM 236 CG ARG A 17 9.991 -2.539 -7.758 1.00 0.00 C ATOM 237 CD ARG A 17 10.061 -1.022 -7.654 1.00 0.00 C ATOM 238 NE ARG A 17 9.840 -0.419 -8.972 1.00 0.00 N ATOM 239 CZ ARG A 17 10.718 -0.387 -9.974 1.00 0.00 C ATOM 240 NH1 ARG A 17 11.949 -0.861 -9.818 1.00 0.00 N ATOM 241 NH2 ARG A 17 10.365 0.112 -11.148 1.00 0.00 N ATOM 0 H ARG A 17 10.487 -4.955 -4.498 1.00 0.00 H new ATOM 0 HA ARG A 17 9.231 -5.010 -7.207 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.089 -2.904 -5.840 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.840 -2.855 -5.807 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.842 -2.904 -8.333 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.092 -2.825 -8.304 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.311 -0.662 -6.950 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.034 -0.720 -7.265 1.00 0.00 H new ATOM 0 HE ARG A 17 8.932 0.015 -9.137 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.233 -1.256 -8.922 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.610 -0.830 -10.594 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.421 0.472 -11.286 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.037 0.136 -11.915 1.00 0.00 H new ATOM 255 N MET A 18 11.342 -6.387 -7.746 1.00 0.00 N ATOM 256 CA MET A 18 12.536 -6.923 -8.387 1.00 0.00 C ATOM 257 C MET A 18 12.228 -7.626 -9.708 1.00 0.00 C ATOM 258 O MET A 18 13.163 -8.066 -10.380 1.00 0.00 O ATOM 259 CB MET A 18 13.269 -7.866 -7.415 1.00 0.00 C ATOM 260 CG MET A 18 14.588 -7.257 -6.923 1.00 0.00 C ATOM 261 SD MET A 18 15.766 -8.463 -6.254 1.00 0.00 S ATOM 262 CE MET A 18 14.793 -9.181 -4.901 1.00 0.00 C ATOM 0 H MET A 18 10.510 -6.966 -7.860 1.00 0.00 H new ATOM 0 HA MET A 18 13.186 -6.083 -8.633 1.00 0.00 H new ATOM 0 HB2 MET A 18 12.626 -8.081 -6.561 1.00 0.00 H new ATOM 0 HB3 MET A 18 13.469 -8.816 -7.910 1.00 0.00 H new ATOM 0 HG2 MET A 18 15.060 -6.726 -7.750 1.00 0.00 H new ATOM 0 HG3 MET A 18 14.368 -6.517 -6.154 1.00 0.00 H new ATOM 0 HE1 MET A 18 15.408 -9.891 -4.348 1.00 0.00 H new ATOM 0 HE2 MET A 18 14.462 -8.388 -4.231 1.00 0.00 H new ATOM 0 HE3 MET A 18 13.924 -9.696 -5.311 1.00 0.00 H new ATOM 272 N GLU A 19 10.959 -7.742 -10.092 1.00 0.00 N ATOM 273 CA GLU A 19 10.534 -8.540 -11.226 1.00 0.00 C ATOM 274 C GLU A 19 9.578 -7.706 -12.070 1.00 0.00 C ATOM 275 O GLU A 19 9.939 -7.357 -13.192 1.00 0.00 O ATOM 276 CB GLU A 19 9.958 -9.857 -10.698 1.00 0.00 C ATOM 277 CG GLU A 19 9.638 -10.870 -11.806 1.00 0.00 C ATOM 278 CD GLU A 19 8.135 -11.049 -11.977 1.00 0.00 C ATOM 279 OE1 GLU A 19 7.557 -11.902 -11.261 1.00 0.00 O ATOM 280 OE2 GLU A 19 7.536 -10.339 -12.819 1.00 0.00 O ATOM 0 H GLU A 19 10.189 -7.275 -9.613 1.00 0.00 H new ATOM 0 HA GLU A 19 11.355 -8.815 -11.888 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.669 -10.303 -10.002 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.049 -9.647 -10.134 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.075 -10.534 -12.746 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.096 -11.830 -11.567 1.00 0.00 H new ATOM 287 N SER A 20 8.414 -7.334 -11.529 1.00 0.00 N ATOM 288 CA SER A 20 7.493 -6.405 -12.187 1.00 0.00 C ATOM 289 C SER A 20 7.088 -5.209 -11.331 1.00 0.00 C ATOM 290 O SER A 20 6.549 -4.249 -11.876 1.00 0.00 O ATOM 291 CB SER A 20 6.261 -7.148 -12.700 1.00 0.00 C ATOM 292 OG SER A 20 6.676 -8.039 -13.708 1.00 0.00 O ATOM 0 H SER A 20 8.085 -7.669 -10.623 1.00 0.00 H new ATOM 0 HA SER A 20 8.045 -5.985 -13.028 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.778 -7.691 -11.887 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.528 -6.444 -13.093 1.00 0.00 H new ATOM 0 HG SER A 20 7.226 -8.747 -13.313 1.00 0.00 H new ATOM 298 N GLY A 21 7.330 -5.222 -10.021 1.00 0.00 N ATOM 299 CA GLY A 21 7.009 -4.077 -9.186 1.00 0.00 C ATOM 300 C GLY A 21 5.512 -3.918 -8.972 1.00 0.00 C ATOM 301 O GLY A 21 4.939 -2.870 -9.284 1.00 0.00 O ATOM 0 H GLY A 21 7.745 -6.009 -9.522 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.502 -4.186 -8.220 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.406 -3.172 -9.646 1.00 0.00 H new ATOM 305 N PHE A 22 4.935 -4.959 -8.366 1.00 0.00 N ATOM 306 CA PHE A 22 3.652 -4.987 -7.676 1.00 0.00 C ATOM 307 C PHE A 22 2.513 -5.240 -8.668 1.00 0.00 C ATOM 308 O PHE A 22 1.978 -4.316 -9.283 1.00 0.00 O ATOM 309 CB PHE A 22 3.405 -3.749 -6.789 1.00 0.00 C ATOM 310 CG PHE A 22 4.603 -3.104 -6.113 1.00 0.00 C ATOM 311 CD1 PHE A 22 5.564 -3.889 -5.453 1.00 0.00 C ATOM 312 CD2 PHE A 22 4.754 -1.703 -6.142 1.00 0.00 C ATOM 313 CE1 PHE A 22 6.637 -3.273 -4.792 1.00 0.00 C ATOM 314 CE2 PHE A 22 5.813 -1.088 -5.453 1.00 0.00 C ATOM 315 CZ PHE A 22 6.750 -1.872 -4.762 1.00 0.00 C ATOM 0 H PHE A 22 5.391 -5.871 -8.346 1.00 0.00 H new ATOM 0 HA PHE A 22 3.682 -5.824 -6.979 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.920 -2.990 -7.403 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.695 -4.032 -6.011 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.476 -4.965 -5.455 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.052 -1.099 -6.697 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.383 -3.881 -4.302 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.906 -0.012 -5.455 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.552 -1.403 -4.211 1.00 0.00 H new ATOM 325 N GLY A 23 2.138 -6.512 -8.822 1.00 0.00 N ATOM 326 CA GLY A 23 1.089 -6.940 -9.739 1.00 0.00 C ATOM 327 C GLY A 23 -0.309 -6.737 -9.157 1.00 0.00 C ATOM 328 O GLY A 23 -1.096 -7.684 -9.124 1.00 0.00 O ATOM 0 H GLY A 23 2.563 -7.281 -8.304 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.176 -6.383 -10.672 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.229 -7.993 -9.982 1.00 0.00 H new ATOM 332 N PHE A 24 -0.638 -5.528 -8.709 1.00 0.00 N ATOM 333 CA PHE A 24 -1.993 -5.142 -8.329 1.00 0.00 C ATOM 334 C PHE A 24 -2.345 -3.826 -9.012 1.00 0.00 C ATOM 335 O PHE A 24 -1.500 -3.190 -9.652 1.00 0.00 O ATOM 336 CB PHE A 24 -2.146 -5.047 -6.804 1.00 0.00 C ATOM 337 CG PHE A 24 -1.500 -3.831 -6.159 1.00 0.00 C ATOM 338 CD1 PHE A 24 -0.160 -3.900 -5.731 1.00 0.00 C ATOM 339 CD2 PHE A 24 -2.234 -2.640 -5.962 1.00 0.00 C ATOM 340 CE1 PHE A 24 0.435 -2.794 -5.099 1.00 0.00 C ATOM 341 CE2 PHE A 24 -1.636 -1.550 -5.318 1.00 0.00 C ATOM 342 CZ PHE A 24 -0.310 -1.631 -4.885 1.00 0.00 C ATOM 0 H PHE A 24 0.042 -4.776 -8.598 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.690 -5.912 -8.660 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.209 -5.044 -6.562 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.719 -5.945 -6.356 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.411 -4.803 -5.888 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.255 -2.570 -6.308 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.466 -2.843 -4.780 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.201 -0.644 -5.155 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.142 -0.789 -4.382 1.00 0.00 H new ATOM 352 N ARG A 25 -3.598 -3.406 -8.873 1.00 0.00 N ATOM 353 CA ARG A 25 -4.069 -2.098 -9.285 1.00 0.00 C ATOM 354 C ARG A 25 -5.043 -1.598 -8.221 1.00 0.00 C ATOM 355 O ARG A 25 -5.477 -2.376 -7.376 1.00 0.00 O ATOM 356 CB ARG A 25 -4.661 -2.233 -10.698 1.00 0.00 C ATOM 357 CG ARG A 25 -4.498 -0.943 -11.501 1.00 0.00 C ATOM 358 CD ARG A 25 -4.446 -1.241 -13.002 1.00 0.00 C ATOM 359 NE ARG A 25 -4.405 0.011 -13.762 1.00 0.00 N ATOM 360 CZ ARG A 25 -4.596 0.137 -15.073 1.00 0.00 C ATOM 361 NH1 ARG A 25 -4.540 -0.928 -15.863 1.00 0.00 N ATOM 362 NH2 ARG A 25 -4.842 1.331 -15.596 1.00 0.00 N ATOM 0 H ARG A 25 -4.329 -3.984 -8.459 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.280 -1.349 -9.355 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.170 -3.053 -11.222 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.719 -2.487 -10.627 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.328 -0.269 -11.288 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.585 -0.432 -11.195 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.567 -1.844 -13.231 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.318 -1.825 -13.295 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.212 0.865 -13.238 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.350 -1.848 -15.466 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.687 -0.826 -16.867 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.885 2.153 -14.993 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.988 1.427 -16.601 1.00 0.00 H new ATOM 376 N ILE A 26 -5.377 -0.313 -8.233 1.00 0.00 N ATOM 377 CA ILE A 26 -6.030 0.393 -7.131 1.00 0.00 C ATOM 378 C ILE A 26 -7.053 1.337 -7.761 1.00 0.00 C ATOM 379 O ILE A 26 -6.712 2.035 -8.717 1.00 0.00 O ATOM 380 CB ILE A 26 -4.985 1.124 -6.235 1.00 0.00 C ATOM 381 CG1 ILE A 26 -3.609 1.364 -6.906 1.00 0.00 C ATOM 382 CG2 ILE A 26 -4.783 0.324 -4.938 1.00 0.00 C ATOM 383 CD1 ILE A 26 -2.729 2.377 -6.165 1.00 0.00 C ATOM 0 H ILE A 26 -5.196 0.289 -9.036 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.540 -0.296 -6.457 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.399 2.113 -6.040 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.077 0.415 -6.973 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.768 1.713 -7.926 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.053 0.831 -4.308 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.731 0.248 -4.406 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.422 -0.676 -5.180 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.783 2.492 -6.694 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.240 3.339 -6.121 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.538 2.021 -5.153 1.00 0.00 H new ATOM 395 N LEU A 27 -8.308 1.293 -7.299 1.00 0.00 N ATOM 396 CA LEU A 27 -9.462 2.015 -7.840 1.00 0.00 C ATOM 397 C LEU A 27 -10.300 2.526 -6.659 1.00 0.00 C ATOM 398 O LEU A 27 -9.895 2.371 -5.501 1.00 0.00 O ATOM 399 CB LEU A 27 -10.285 1.097 -8.775 1.00 0.00 C ATOM 400 CG LEU A 27 -9.549 0.619 -10.045 1.00 0.00 C ATOM 401 CD1 LEU A 27 -10.364 -0.397 -10.855 1.00 0.00 C ATOM 402 CD2 LEU A 27 -9.198 1.767 -10.982 1.00 0.00 C ATOM 0 H LEU A 27 -8.558 0.720 -6.493 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.136 2.863 -8.442 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.604 0.222 -8.209 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.188 1.628 -9.076 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.639 0.150 -9.670 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.798 -0.698 -11.736 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.569 -1.273 -10.239 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.305 0.057 -11.166 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.682 1.376 -11.859 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.111 2.274 -11.294 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.549 2.474 -10.464 1.00 0.00 H new ATOM 414 N GLY A 28 -11.440 3.168 -6.914 1.00 0.00 N ATOM 415 CA GLY A 28 -12.276 3.684 -5.835 1.00 0.00 C ATOM 416 C GLY A 28 -11.645 4.934 -5.228 1.00 0.00 C ATOM 417 O GLY A 28 -11.031 5.714 -5.958 1.00 0.00 O ATOM 0 H GLY A 28 -11.802 3.341 -7.852 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.270 3.918 -6.216 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.401 2.921 -5.066 1.00 0.00 H new ATOM 421 N GLY A 29 -11.815 5.156 -3.920 1.00 0.00 N ATOM 422 CA GLY A 29 -11.218 6.277 -3.193 1.00 0.00 C ATOM 423 C GLY A 29 -11.551 7.627 -3.819 1.00 0.00 C ATOM 424 O GLY A 29 -10.703 8.520 -3.851 1.00 0.00 O ATOM 0 H GLY A 29 -12.382 4.549 -3.328 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.568 6.263 -2.161 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.136 6.151 -3.164 1.00 0.00 H new ATOM 428 N ASP A 30 -12.732 7.750 -4.425 1.00 0.00 N ATOM 429 CA ASP A 30 -12.988 8.862 -5.329 1.00 0.00 C ATOM 430 C ASP A 30 -13.258 10.164 -4.578 1.00 0.00 C ATOM 431 O ASP A 30 -12.898 11.243 -5.051 1.00 0.00 O ATOM 432 CB ASP A 30 -14.165 8.551 -6.250 1.00 0.00 C ATOM 433 CG ASP A 30 -14.260 9.645 -7.309 1.00 0.00 C ATOM 434 OD1 ASP A 30 -13.210 10.036 -7.864 1.00 0.00 O ATOM 435 OD2 ASP A 30 -15.370 10.170 -7.543 1.00 0.00 O ATOM 0 H ASP A 30 -13.512 7.103 -4.307 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.085 8.996 -5.925 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -14.028 7.578 -6.723 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -15.090 8.499 -5.676 1.00 0.00 H new ATOM 440 N GLU A 31 -13.840 10.064 -3.386 1.00 0.00 N ATOM 441 CA GLU A 31 -13.973 11.158 -2.432 1.00 0.00 C ATOM 442 C GLU A 31 -13.127 10.768 -1.209 1.00 0.00 C ATOM 443 O GLU A 31 -12.846 9.577 -1.030 1.00 0.00 O ATOM 444 CB GLU A 31 -15.449 11.389 -2.059 1.00 0.00 C ATOM 445 CG GLU A 31 -16.412 11.424 -3.256 1.00 0.00 C ATOM 446 CD GLU A 31 -17.799 11.924 -2.847 1.00 0.00 C ATOM 447 OE1 GLU A 31 -17.961 13.140 -2.625 1.00 0.00 O ATOM 448 OE2 GLU A 31 -18.740 11.092 -2.755 1.00 0.00 O ATOM 0 H GLU A 31 -14.245 9.191 -3.048 1.00 0.00 H new ATOM 0 HA GLU A 31 -13.623 12.100 -2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -15.766 10.600 -1.377 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.530 12.331 -1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -16.005 12.072 -4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.496 10.426 -3.686 1.00 0.00 H new ATOM 455 N PRO A 32 -12.707 11.722 -0.363 1.00 0.00 N ATOM 456 CA PRO A 32 -11.812 11.460 0.754 1.00 0.00 C ATOM 457 C PRO A 32 -12.556 10.694 1.836 1.00 0.00 C ATOM 458 O PRO A 32 -13.201 11.286 2.701 1.00 0.00 O ATOM 459 CB PRO A 32 -11.285 12.829 1.192 1.00 0.00 C ATOM 460 CG PRO A 32 -12.379 13.803 0.767 1.00 0.00 C ATOM 461 CD PRO A 32 -13.048 13.131 -0.430 1.00 0.00 C ATOM 0 HA PRO A 32 -10.965 10.824 0.497 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.115 12.865 2.268 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -10.335 13.063 0.712 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -13.091 13.976 1.574 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -11.963 14.773 0.496 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -14.129 13.269 -0.397 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.699 13.569 -1.365 1.00 0.00 H new ATOM 469 N GLY A 33 -12.491 9.367 1.754 1.00 0.00 N ATOM 470 CA GLY A 33 -13.184 8.442 2.629 1.00 0.00 C ATOM 471 C GLY A 33 -14.111 7.470 1.903 1.00 0.00 C ATOM 472 O GLY A 33 -14.738 6.645 2.573 1.00 0.00 O ATOM 0 H GLY A 33 -11.930 8.894 1.046 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.447 7.871 3.193 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.767 9.011 3.353 1.00 0.00 H new ATOM 476 N GLN A 34 -14.189 7.509 0.568 1.00 0.00 N ATOM 477 CA GLN A 34 -14.749 6.412 -0.199 1.00 0.00 C ATOM 478 C GLN A 34 -13.863 5.166 -0.023 1.00 0.00 C ATOM 479 O GLN A 34 -12.684 5.293 0.337 1.00 0.00 O ATOM 480 CB GLN A 34 -14.863 6.822 -1.679 1.00 0.00 C ATOM 481 CG GLN A 34 -16.176 7.535 -2.027 1.00 0.00 C ATOM 482 CD GLN A 34 -17.396 6.628 -2.031 1.00 0.00 C ATOM 483 OE1 GLN A 34 -17.816 6.118 -1.003 1.00 0.00 O ATOM 484 NE2 GLN A 34 -17.993 6.397 -3.184 1.00 0.00 N ATOM 0 H GLN A 34 -13.868 8.295 0.003 1.00 0.00 H new ATOM 0 HA GLN A 34 -15.750 6.172 0.160 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -14.028 7.476 -1.930 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -14.768 5.932 -2.301 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -16.339 8.341 -1.312 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -16.077 7.996 -3.010 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -17.637 6.826 -4.038 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -18.811 5.789 -3.222 1.00 0.00 H new ATOM 493 N PRO A 35 -14.406 3.969 -0.297 1.00 0.00 N ATOM 494 CA PRO A 35 -13.689 2.728 -0.116 1.00 0.00 C ATOM 495 C PRO A 35 -12.567 2.583 -1.142 1.00 0.00 C ATOM 496 O PRO A 35 -12.732 2.961 -2.308 1.00 0.00 O ATOM 497 CB PRO A 35 -14.721 1.601 -0.225 1.00 0.00 C ATOM 498 CG PRO A 35 -15.978 2.238 -0.827 1.00 0.00 C ATOM 499 CD PRO A 35 -15.718 3.746 -0.868 1.00 0.00 C ATOM 0 HA PRO A 35 -13.201 2.696 0.858 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -14.352 0.793 -0.857 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.932 1.169 0.753 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -16.170 1.849 -1.827 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -16.856 2.011 -0.223 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -15.760 4.116 -1.892 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.480 4.283 -0.303 1.00 0.00 H new ATOM 507 N ILE A 36 -11.462 1.970 -0.731 1.00 0.00 N ATOM 508 CA ILE A 36 -10.293 1.678 -1.541 1.00 0.00 C ATOM 509 C ILE A 36 -10.144 0.156 -1.492 1.00 0.00 C ATOM 510 O ILE A 36 -9.595 -0.418 -0.556 1.00 0.00 O ATOM 511 CB ILE A 36 -9.078 2.541 -1.105 1.00 0.00 C ATOM 512 CG1 ILE A 36 -9.411 4.029 -1.330 1.00 0.00 C ATOM 513 CG2 ILE A 36 -7.801 2.157 -1.856 1.00 0.00 C ATOM 514 CD1 ILE A 36 -8.301 5.005 -0.946 1.00 0.00 C ATOM 0 H ILE A 36 -11.356 1.647 0.231 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.383 1.964 -2.589 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.889 2.358 -0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.655 4.176 -2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.305 4.276 -0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.977 2.786 -1.519 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.563 1.112 -1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.952 2.299 -2.926 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.630 6.026 -1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.070 4.894 0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.410 4.793 -1.536 1.00 0.00 H new ATOM 526 N LEU A 37 -10.745 -0.482 -2.489 1.00 0.00 N ATOM 527 CA LEU A 37 -10.765 -1.904 -2.837 1.00 0.00 C ATOM 528 C LEU A 37 -9.782 -2.165 -3.975 1.00 0.00 C ATOM 529 O LEU A 37 -9.719 -1.350 -4.899 1.00 0.00 O ATOM 530 CB LEU A 37 -12.157 -2.342 -3.348 1.00 0.00 C ATOM 531 CG LEU A 37 -13.394 -1.935 -2.538 1.00 0.00 C ATOM 532 CD1 LEU A 37 -14.607 -2.770 -2.967 1.00 0.00 C ATOM 533 CD2 LEU A 37 -13.175 -2.109 -1.041 1.00 0.00 C ATOM 0 H LEU A 37 -11.301 0.050 -3.159 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.504 -2.459 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.278 -1.950 -4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.155 -3.429 -3.426 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.576 -0.879 -2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.479 -2.471 -2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.805 -2.606 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.401 -3.826 -2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.075 -1.809 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.954 -3.154 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.338 -1.488 -0.721 1.00 0.00 H new ATOM 545 N ILE A 38 -9.054 -3.281 -3.946 1.00 0.00 N ATOM 546 CA ILE A 38 -8.002 -3.635 -4.893 1.00 0.00 C ATOM 547 C ILE A 38 -8.617 -3.620 -6.300 1.00 0.00 C ATOM 548 O ILE A 38 -9.455 -4.460 -6.647 1.00 0.00 O ATOM 549 CB ILE A 38 -7.335 -4.967 -4.473 1.00 0.00 C ATOM 550 CG1 ILE A 38 -6.408 -4.748 -3.251 1.00 0.00 C ATOM 551 CG2 ILE A 38 -6.561 -5.661 -5.609 1.00 0.00 C ATOM 552 CD1 ILE A 38 -5.028 -4.129 -3.533 1.00 0.00 C ATOM 0 H ILE A 38 -9.189 -3.994 -3.229 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.184 -2.915 -4.898 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.151 -5.638 -4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.929 -4.108 -2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.256 -5.710 -2.762 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.122 -6.587 -5.238 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.243 -5.886 -6.429 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.769 -5.002 -5.965 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.477 -4.028 -2.598 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.472 -4.774 -4.214 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.156 -3.146 -3.987 1.00 0.00 H new ATOM 564 N GLY A 39 -8.213 -2.620 -7.084 1.00 0.00 N ATOM 565 CA GLY A 39 -8.663 -2.310 -8.430 1.00 0.00 C ATOM 566 C GLY A 39 -8.660 -3.527 -9.341 1.00 0.00 C ATOM 567 O GLY A 39 -9.608 -3.761 -10.090 1.00 0.00 O ATOM 0 H GLY A 39 -7.507 -1.957 -6.764 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.670 -1.896 -8.386 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.020 -1.540 -8.856 1.00 0.00 H new ATOM 571 N ALA A 40 -7.565 -4.284 -9.305 1.00 0.00 N ATOM 572 CA ALA A 40 -7.395 -5.553 -9.985 1.00 0.00 C ATOM 573 C ALA A 40 -6.204 -6.258 -9.345 1.00 0.00 C ATOM 574 O ALA A 40 -5.357 -5.606 -8.730 1.00 0.00 O ATOM 575 CB ALA A 40 -7.122 -5.311 -11.478 1.00 0.00 C ATOM 0 H ALA A 40 -6.738 -4.011 -8.775 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.294 -6.163 -9.897 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.995 -6.268 -11.984 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.963 -4.776 -11.919 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.215 -4.718 -11.590 1.00 0.00 H new ATOM 581 N VAL A 41 -6.091 -7.560 -9.574 1.00 0.00 N ATOM 582 CA VAL A 41 -4.860 -8.312 -9.383 1.00 0.00 C ATOM 583 C VAL A 41 -4.384 -8.640 -10.794 1.00 0.00 C ATOM 584 O VAL A 41 -5.189 -9.009 -11.650 1.00 0.00 O ATOM 585 CB VAL A 41 -5.134 -9.534 -8.485 1.00 0.00 C ATOM 586 CG1 VAL A 41 -3.944 -10.505 -8.435 1.00 0.00 C ATOM 587 CG2 VAL A 41 -5.519 -9.030 -7.078 1.00 0.00 C ATOM 0 H VAL A 41 -6.868 -8.133 -9.904 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.073 -7.769 -8.859 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.959 -10.106 -8.909 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.189 -11.348 -7.789 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.728 -10.868 -9.440 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.069 -9.988 -8.041 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.717 -9.882 -6.428 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.700 -8.441 -6.666 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.413 -8.410 -7.146 1.00 0.00 H new ATOM 597 N ILE A 42 -3.109 -8.402 -11.086 1.00 0.00 N ATOM 598 CA ILE A 42 -2.544 -8.715 -12.383 1.00 0.00 C ATOM 599 C ILE A 42 -2.388 -10.231 -12.426 1.00 0.00 C ATOM 600 O ILE A 42 -1.535 -10.771 -11.719 1.00 0.00 O ATOM 601 CB ILE A 42 -1.224 -7.944 -12.563 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.438 -6.417 -12.422 1.00 0.00 C ATOM 603 CG2 ILE A 42 -0.558 -8.292 -13.899 1.00 0.00 C ATOM 604 CD1 ILE A 42 -2.530 -5.802 -13.310 1.00 0.00 C ATOM 0 H ILE A 42 -2.446 -7.989 -10.430 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.177 -8.407 -13.215 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.549 -8.254 -11.765 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.679 -6.199 -11.382 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.495 -5.917 -12.642 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.372 -7.733 -13.999 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.344 -9.360 -13.932 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.228 -8.031 -14.718 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.588 -4.729 -13.125 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.288 -5.976 -14.358 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.490 -6.263 -13.078 1.00 0.00 H new ATOM 616 N ALA A 43 -3.233 -10.902 -13.212 1.00 0.00 N ATOM 617 CA ALA A 43 -3.237 -12.353 -13.322 1.00 0.00 C ATOM 618 C ALA A 43 -1.847 -12.847 -13.716 1.00 0.00 C ATOM 619 O ALA A 43 -1.257 -12.300 -14.654 1.00 0.00 O ATOM 620 CB ALA A 43 -4.274 -12.794 -14.359 1.00 0.00 C ATOM 0 H ALA A 43 -3.937 -10.445 -13.792 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.502 -12.786 -12.357 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.272 -13.881 -14.436 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.263 -12.454 -14.052 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.026 -12.361 -15.328 1.00 0.00 H new ATOM 626 N MET A 44 -1.343 -13.861 -13.005 1.00 0.00 N ATOM 627 CA MET A 44 -0.009 -14.450 -13.150 1.00 0.00 C ATOM 628 C MET A 44 1.137 -13.526 -12.716 1.00 0.00 C ATOM 629 O MET A 44 2.287 -13.968 -12.717 1.00 0.00 O ATOM 630 CB MET A 44 0.240 -14.948 -14.583 1.00 0.00 C ATOM 631 CG MET A 44 -0.877 -15.846 -15.120 1.00 0.00 C ATOM 632 SD MET A 44 -0.461 -16.704 -16.662 1.00 0.00 S ATOM 633 CE MET A 44 -0.365 -15.288 -17.783 1.00 0.00 C ATOM 0 H MET A 44 -1.886 -14.318 -12.272 1.00 0.00 H new ATOM 0 HA MET A 44 -0.007 -15.297 -12.464 1.00 0.00 H new ATOM 0 HB2 MET A 44 0.353 -14.088 -15.243 1.00 0.00 H new ATOM 0 HB3 MET A 44 1.181 -15.497 -14.610 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.129 -16.587 -14.361 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.769 -15.240 -15.283 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.222 -15.641 -18.804 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.290 -14.714 -17.724 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.474 -14.654 -17.497 1.00 0.00 H new ATOM 643 N GLY A 45 0.857 -12.267 -12.372 1.00 0.00 N ATOM 644 CA GLY A 45 1.868 -11.258 -12.120 1.00 0.00 C ATOM 645 C GLY A 45 2.419 -11.350 -10.701 1.00 0.00 C ATOM 646 O GLY A 45 1.941 -12.109 -9.861 1.00 0.00 O ATOM 0 H GLY A 45 -0.097 -11.922 -12.261 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.683 -11.374 -12.835 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.441 -10.268 -12.281 1.00 0.00 H new ATOM 650 N SER A 46 3.401 -10.505 -10.397 1.00 0.00 N ATOM 651 CA SER A 46 4.250 -10.561 -9.213 1.00 0.00 C ATOM 652 C SER A 46 3.506 -10.445 -7.874 1.00 0.00 C ATOM 653 O SER A 46 4.162 -10.606 -6.849 1.00 0.00 O ATOM 654 CB SER A 46 5.311 -9.452 -9.361 1.00 0.00 C ATOM 655 OG SER A 46 6.288 -9.427 -8.336 1.00 0.00 O ATOM 0 H SER A 46 3.637 -9.720 -11.004 1.00 0.00 H new ATOM 0 HA SER A 46 4.700 -11.553 -9.170 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.814 -9.575 -10.320 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.806 -8.486 -9.387 1.00 0.00 H new ATOM 0 HG SER A 46 5.905 -9.789 -7.510 1.00 0.00 H new ATOM 661 N ALA A 47 2.207 -10.129 -7.853 1.00 0.00 N ATOM 662 CA ALA A 47 1.375 -10.236 -6.658 1.00 0.00 C ATOM 663 C ALA A 47 0.593 -11.550 -6.632 1.00 0.00 C ATOM 664 O ALA A 47 0.567 -12.230 -5.614 1.00 0.00 O ATOM 665 CB ALA A 47 0.424 -9.050 -6.602 1.00 0.00 C ATOM 0 H ALA A 47 1.703 -9.790 -8.672 1.00 0.00 H new ATOM 0 HA ALA A 47 2.024 -10.229 -5.782 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.200 -9.125 -5.711 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.998 -8.124 -6.566 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.209 -9.049 -7.489 1.00 0.00 H new ATOM 671 N ASP A 48 -0.035 -11.907 -7.753 1.00 0.00 N ATOM 672 CA ASP A 48 -0.789 -13.145 -7.946 1.00 0.00 C ATOM 673 C ASP A 48 0.099 -14.360 -7.653 1.00 0.00 C ATOM 674 O ASP A 48 -0.314 -15.295 -6.974 1.00 0.00 O ATOM 675 CB ASP A 48 -1.312 -13.143 -9.387 1.00 0.00 C ATOM 676 CG ASP A 48 -2.395 -14.180 -9.662 1.00 0.00 C ATOM 677 OD1 ASP A 48 -3.562 -13.947 -9.275 1.00 0.00 O ATOM 678 OD2 ASP A 48 -2.115 -15.156 -10.396 1.00 0.00 O ATOM 0 H ASP A 48 -0.032 -11.317 -8.585 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.631 -13.207 -7.257 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.706 -12.153 -9.617 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.477 -13.319 -10.065 1.00 0.00 H new ATOM 683 N ARG A 49 1.367 -14.309 -8.078 1.00 0.00 N ATOM 684 CA ARG A 49 2.372 -15.331 -7.782 1.00 0.00 C ATOM 685 C ARG A 49 2.808 -15.359 -6.310 1.00 0.00 C ATOM 686 O ARG A 49 3.380 -16.359 -5.867 1.00 0.00 O ATOM 687 CB ARG A 49 3.578 -15.148 -8.722 1.00 0.00 C ATOM 688 CG ARG A 49 4.504 -13.997 -8.331 1.00 0.00 C ATOM 689 CD ARG A 49 5.738 -13.942 -9.246 1.00 0.00 C ATOM 690 NE ARG A 49 6.647 -15.065 -8.963 1.00 0.00 N ATOM 691 CZ ARG A 49 7.861 -15.284 -9.487 1.00 0.00 C ATOM 692 NH1 ARG A 49 8.429 -14.430 -10.338 1.00 0.00 N ATOM 693 NH2 ARG A 49 8.536 -16.362 -9.113 1.00 0.00 N ATOM 0 H ARG A 49 1.727 -13.543 -8.647 1.00 0.00 H new ATOM 0 HA ARG A 49 1.910 -16.302 -7.959 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.154 -16.073 -8.741 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.213 -14.979 -9.735 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.961 -13.054 -8.391 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.821 -14.117 -7.295 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.425 -13.975 -10.289 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.263 -12.998 -9.101 1.00 0.00 H new ATOM 0 HE ARG A 49 6.315 -15.756 -8.291 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.938 -13.578 -10.610 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.355 -14.628 -10.718 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.130 -17.009 -8.437 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.461 -16.545 -9.501 1.00 0.00 H new ATOM 707 N ASP A 50 2.634 -14.266 -5.557 1.00 0.00 N ATOM 708 CA ASP A 50 2.842 -14.266 -4.098 1.00 0.00 C ATOM 709 C ASP A 50 1.659 -14.951 -3.395 1.00 0.00 C ATOM 710 O ASP A 50 1.809 -15.480 -2.293 1.00 0.00 O ATOM 711 CB ASP A 50 3.023 -12.837 -3.551 1.00 0.00 C ATOM 712 CG ASP A 50 3.983 -12.802 -2.358 1.00 0.00 C ATOM 713 OD1 ASP A 50 5.212 -12.688 -2.605 1.00 0.00 O ATOM 714 OD2 ASP A 50 3.554 -12.925 -1.187 1.00 0.00 O ATOM 0 H ASP A 50 2.348 -13.363 -5.935 1.00 0.00 H new ATOM 0 HA ASP A 50 3.757 -14.822 -3.893 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.403 -12.190 -4.342 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.054 -12.438 -3.250 1.00 0.00 H new ATOM 719 N GLY A 51 0.498 -14.998 -4.066 1.00 0.00 N ATOM 720 CA GLY A 51 -0.709 -15.677 -3.624 1.00 0.00 C ATOM 721 C GLY A 51 -1.191 -15.112 -2.296 1.00 0.00 C ATOM 722 O GLY A 51 -1.212 -15.847 -1.308 1.00 0.00 O ATOM 0 H GLY A 51 0.380 -14.541 -4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.490 -15.567 -4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.514 -16.744 -3.521 1.00 0.00 H new ATOM 726 N ARG A 52 -1.511 -13.813 -2.250 1.00 0.00 N ATOM 727 CA ARG A 52 -1.867 -13.118 -1.007 1.00 0.00 C ATOM 728 C ARG A 52 -2.904 -11.999 -1.145 1.00 0.00 C ATOM 729 O ARG A 52 -3.189 -11.323 -0.156 1.00 0.00 O ATOM 730 CB ARG A 52 -0.573 -12.577 -0.376 1.00 0.00 C ATOM 731 CG ARG A 52 0.084 -13.609 0.548 1.00 0.00 C ATOM 732 CD ARG A 52 0.659 -12.918 1.778 1.00 0.00 C ATOM 733 NE ARG A 52 1.952 -12.266 1.520 1.00 0.00 N ATOM 734 CZ ARG A 52 2.642 -11.680 2.503 1.00 0.00 C ATOM 735 NH1 ARG A 52 2.043 -11.330 3.640 1.00 0.00 N ATOM 736 NH2 ARG A 52 3.929 -11.414 2.345 1.00 0.00 N ATOM 0 H ARG A 52 -1.530 -13.213 -3.075 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.359 -13.854 -0.371 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.126 -12.297 -1.164 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.795 -11.672 0.189 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.649 -14.357 0.851 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.875 -14.136 0.014 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.052 -12.173 2.135 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.781 -13.651 2.576 1.00 0.00 H new ATOM 0 HE ARG A 52 2.329 -12.261 0.572 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.047 -11.509 3.768 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.580 -10.883 4.383 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.396 -11.656 1.471 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.453 -10.967 3.097 1.00 0.00 H new ATOM 750 N LEU A 53 -3.436 -11.767 -2.342 1.00 0.00 N ATOM 751 CA LEU A 53 -4.382 -10.698 -2.657 1.00 0.00 C ATOM 752 C LEU A 53 -5.469 -11.326 -3.515 1.00 0.00 C ATOM 753 O LEU A 53 -5.181 -12.229 -4.311 1.00 0.00 O ATOM 754 CB LEU A 53 -3.669 -9.592 -3.467 1.00 0.00 C ATOM 755 CG LEU A 53 -2.981 -8.552 -2.569 1.00 0.00 C ATOM 756 CD1 LEU A 53 -1.934 -7.733 -3.330 1.00 0.00 C ATOM 757 CD2 LEU A 53 -4.007 -7.585 -1.984 1.00 0.00 C ATOM 0 H LEU A 53 -3.211 -12.342 -3.154 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.791 -10.253 -1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.927 -10.048 -4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.395 -9.090 -4.107 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.485 -9.111 -1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.475 -7.011 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.167 -8.400 -3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.414 -7.204 -4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.501 -6.856 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.522 -7.067 -2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.732 -8.140 -1.389 1.00 0.00 H new ATOM 769 N HIS A 54 -6.679 -10.783 -3.440 1.00 0.00 N ATOM 770 CA HIS A 54 -7.758 -11.028 -4.368 1.00 0.00 C ATOM 771 C HIS A 54 -8.324 -9.684 -4.844 1.00 0.00 C ATOM 772 O HIS A 54 -8.287 -8.691 -4.112 1.00 0.00 O ATOM 773 CB HIS A 54 -8.820 -11.891 -3.684 1.00 0.00 C ATOM 774 CG HIS A 54 -8.395 -13.331 -3.578 1.00 0.00 C ATOM 775 ND1 HIS A 54 -7.917 -13.992 -2.470 1.00 0.00 N ATOM 776 CD2 HIS A 54 -8.368 -14.206 -4.619 1.00 0.00 C ATOM 777 CE1 HIS A 54 -7.650 -15.255 -2.820 1.00 0.00 C ATOM 778 NE2 HIS A 54 -7.957 -15.447 -4.119 1.00 0.00 N ATOM 0 H HIS A 54 -6.938 -10.134 -2.697 1.00 0.00 H new ATOM 0 HA HIS A 54 -7.403 -11.570 -5.245 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.020 -11.498 -2.687 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -9.753 -11.829 -4.244 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -8.618 -13.983 -5.646 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -7.248 -16.009 -2.160 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -7.901 -16.325 -4.636 1.00 0.00 H new ATOM 786 N PRO A 55 -8.849 -9.622 -6.078 1.00 0.00 N ATOM 787 CA PRO A 55 -9.536 -8.451 -6.602 1.00 0.00 C ATOM 788 C PRO A 55 -10.633 -7.976 -5.647 1.00 0.00 C ATOM 789 O PRO A 55 -11.491 -8.756 -5.224 1.00 0.00 O ATOM 790 CB PRO A 55 -10.096 -8.874 -7.966 1.00 0.00 C ATOM 791 CG PRO A 55 -9.144 -9.985 -8.396 1.00 0.00 C ATOM 792 CD PRO A 55 -8.795 -10.667 -7.085 1.00 0.00 C ATOM 0 HA PRO A 55 -8.862 -7.601 -6.707 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.123 -9.230 -7.888 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.098 -8.047 -8.676 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.618 -10.674 -9.095 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.258 -9.587 -8.892 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.500 -11.467 -6.859 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.804 -11.119 -7.129 1.00 0.00 H new ATOM 800 N GLY A 56 -10.642 -6.680 -5.344 1.00 0.00 N ATOM 801 CA GLY A 56 -11.661 -6.052 -4.518 1.00 0.00 C ATOM 802 C GLY A 56 -11.403 -6.185 -3.020 1.00 0.00 C ATOM 803 O GLY A 56 -12.272 -5.783 -2.244 1.00 0.00 O ATOM 0 H GLY A 56 -9.928 -6.029 -5.673 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.723 -4.994 -4.775 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.629 -6.494 -4.752 1.00 0.00 H new ATOM 807 N ASP A 57 -10.261 -6.735 -2.603 1.00 0.00 N ATOM 808 CA ASP A 57 -9.851 -6.716 -1.201 1.00 0.00 C ATOM 809 C ASP A 57 -9.726 -5.259 -0.773 1.00 0.00 C ATOM 810 O ASP A 57 -9.123 -4.461 -1.478 1.00 0.00 O ATOM 811 CB ASP A 57 -8.536 -7.479 -0.976 1.00 0.00 C ATOM 812 CG ASP A 57 -8.698 -9.002 -0.986 1.00 0.00 C ATOM 813 OD1 ASP A 57 -9.824 -9.525 -1.157 1.00 0.00 O ATOM 814 OD2 ASP A 57 -7.682 -9.697 -0.753 1.00 0.00 O ATOM 0 H ASP A 57 -9.600 -7.202 -3.224 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.600 -7.225 -0.594 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.824 -7.193 -1.750 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.108 -7.174 -0.021 1.00 0.00 H new ATOM 819 N GLU A 58 -10.369 -4.873 0.319 1.00 0.00 N ATOM 820 CA GLU A 58 -10.348 -3.528 0.849 1.00 0.00 C ATOM 821 C GLU A 58 -8.986 -3.305 1.492 1.00 0.00 C ATOM 822 O GLU A 58 -8.601 -4.036 2.397 1.00 0.00 O ATOM 823 CB GLU A 58 -11.483 -3.392 1.861 1.00 0.00 C ATOM 824 CG GLU A 58 -12.071 -1.977 1.948 1.00 0.00 C ATOM 825 CD GLU A 58 -12.181 -1.553 3.425 1.00 0.00 C ATOM 826 OE1 GLU A 58 -12.979 -2.194 4.155 1.00 0.00 O ATOM 827 OE2 GLU A 58 -11.496 -0.600 3.859 1.00 0.00 O ATOM 0 H GLU A 58 -10.937 -5.512 0.875 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.496 -2.777 0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.278 -4.090 1.597 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.116 -3.684 2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.439 -1.275 1.404 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.054 -1.951 1.478 1.00 0.00 H new ATOM 834 N LEU A 59 -8.242 -2.332 0.990 1.00 0.00 N ATOM 835 CA LEU A 59 -6.979 -1.856 1.535 1.00 0.00 C ATOM 836 C LEU A 59 -7.177 -1.244 2.928 1.00 0.00 C ATOM 837 O LEU A 59 -8.297 -0.940 3.338 1.00 0.00 O ATOM 838 CB LEU A 59 -6.316 -0.868 0.546 1.00 0.00 C ATOM 839 CG LEU A 59 -5.152 -1.479 -0.267 1.00 0.00 C ATOM 840 CD1 LEU A 59 -4.481 -0.407 -1.129 1.00 0.00 C ATOM 841 CD2 LEU A 59 -4.028 -2.045 0.616 1.00 0.00 C ATOM 0 H LEU A 59 -8.517 -1.826 0.148 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.303 -2.702 1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.074 -0.498 -0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.945 -0.007 1.102 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.608 -2.275 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.664 -0.854 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.212 0.015 -1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.089 0.383 -0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.242 -2.459 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.615 -1.248 1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.429 -2.830 1.257 1.00 0.00 H new ATOM 853 N VAL A 60 -6.087 -1.066 3.663 1.00 0.00 N ATOM 854 CA VAL A 60 -6.028 -0.312 4.914 1.00 0.00 C ATOM 855 C VAL A 60 -4.777 0.553 4.932 1.00 0.00 C ATOM 856 O VAL A 60 -4.871 1.758 5.159 1.00 0.00 O ATOM 857 CB VAL A 60 -6.033 -1.231 6.152 1.00 0.00 C ATOM 858 CG1 VAL A 60 -6.248 -0.393 7.419 1.00 0.00 C ATOM 859 CG2 VAL A 60 -7.106 -2.310 6.067 1.00 0.00 C ATOM 0 H VAL A 60 -5.184 -1.457 3.396 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.921 0.311 4.961 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.065 -1.731 6.190 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.251 -1.047 8.291 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.443 0.336 7.514 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.203 0.128 7.353 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.069 -2.931 6.962 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.087 -1.842 5.990 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.930 -2.930 5.188 1.00 0.00 H new ATOM 869 N TYR A 61 -3.613 -0.054 4.692 1.00 0.00 N ATOM 870 CA TYR A 61 -2.318 0.598 4.802 1.00 0.00 C ATOM 871 C TYR A 61 -1.521 0.301 3.549 1.00 0.00 C ATOM 872 O TYR A 61 -1.633 -0.786 2.981 1.00 0.00 O ATOM 873 CB TYR A 61 -1.538 0.074 6.012 1.00 0.00 C ATOM 874 CG TYR A 61 -2.058 0.458 7.382 1.00 0.00 C ATOM 875 CD1 TYR A 61 -1.655 1.676 7.958 1.00 0.00 C ATOM 876 CD2 TYR A 61 -2.914 -0.403 8.095 1.00 0.00 C ATOM 877 CE1 TYR A 61 -2.113 2.045 9.235 1.00 0.00 C ATOM 878 CE2 TYR A 61 -3.398 -0.031 9.363 1.00 0.00 C ATOM 879 CZ TYR A 61 -3.008 1.205 9.935 1.00 0.00 C ATOM 880 OH TYR A 61 -3.499 1.611 11.139 1.00 0.00 O ATOM 0 H TYR A 61 -3.549 -1.032 4.410 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.475 1.670 4.925 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.511 -1.014 5.952 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.509 0.424 5.930 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.990 2.332 7.416 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.200 -1.352 7.667 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.781 2.971 9.681 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.067 -0.688 9.900 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.102 0.925 11.495 1.00 0.00 H new ATOM 890 N VAL A 62 -0.680 1.253 3.164 1.00 0.00 N ATOM 891 CA VAL A 62 0.208 1.168 2.019 1.00 0.00 C ATOM 892 C VAL A 62 1.544 1.731 2.478 1.00 0.00 C ATOM 893 O VAL A 62 1.636 2.908 2.831 1.00 0.00 O ATOM 894 CB VAL A 62 -0.391 1.913 0.811 1.00 0.00 C ATOM 895 CG1 VAL A 62 0.563 1.905 -0.393 1.00 0.00 C ATOM 896 CG2 VAL A 62 -1.716 1.263 0.388 1.00 0.00 C ATOM 0 H VAL A 62 -0.597 2.139 3.663 1.00 0.00 H new ATOM 0 HA VAL A 62 0.345 0.143 1.675 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.557 2.944 1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.104 2.440 -1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.498 2.393 -0.119 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.764 0.876 -0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.128 1.800 -0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.540 0.223 0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.422 1.304 1.217 1.00 0.00 H new ATOM 906 N ASP A 63 2.550 0.858 2.532 1.00 0.00 N ATOM 907 CA ASP A 63 3.944 1.112 2.915 1.00 0.00 C ATOM 908 C ASP A 63 4.114 1.686 4.332 1.00 0.00 C ATOM 909 O ASP A 63 5.239 1.969 4.749 1.00 0.00 O ATOM 910 CB ASP A 63 4.657 1.944 1.828 1.00 0.00 C ATOM 911 CG ASP A 63 6.148 1.610 1.677 1.00 0.00 C ATOM 912 OD1 ASP A 63 6.508 0.418 1.792 1.00 0.00 O ATOM 913 OD2 ASP A 63 6.929 2.532 1.337 1.00 0.00 O ATOM 0 H ASP A 63 2.403 -0.122 2.291 1.00 0.00 H new ATOM 0 HA ASP A 63 4.439 0.142 2.973 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.158 1.781 0.872 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.553 3.003 2.066 1.00 0.00 H new ATOM 918 N GLY A 64 3.022 1.794 5.100 1.00 0.00 N ATOM 919 CA GLY A 64 2.942 2.232 6.492 1.00 0.00 C ATOM 920 C GLY A 64 1.907 3.340 6.715 1.00 0.00 C ATOM 921 O GLY A 64 1.695 3.752 7.857 1.00 0.00 O ATOM 0 H GLY A 64 2.101 1.558 4.731 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.693 1.378 7.122 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.921 2.588 6.811 1.00 0.00 H new ATOM 925 N ILE A 65 1.281 3.880 5.660 1.00 0.00 N ATOM 926 CA ILE A 65 0.388 5.014 5.770 1.00 0.00 C ATOM 927 C ILE A 65 -1.043 4.505 5.554 1.00 0.00 C ATOM 928 O ILE A 65 -1.315 3.828 4.556 1.00 0.00 O ATOM 929 CB ILE A 65 0.844 6.089 4.768 1.00 0.00 C ATOM 930 CG1 ILE A 65 2.321 6.525 4.951 1.00 0.00 C ATOM 931 CG2 ILE A 65 -0.019 7.349 4.926 1.00 0.00 C ATOM 932 CD1 ILE A 65 3.434 5.581 4.466 1.00 0.00 C ATOM 0 H ILE A 65 1.388 3.532 4.707 1.00 0.00 H new ATOM 0 HA ILE A 65 0.410 5.485 6.753 1.00 0.00 H new ATOM 0 HB ILE A 65 0.738 5.634 3.783 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.450 7.479 4.439 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.483 6.709 6.013 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.309 8.106 4.214 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.063 7.101 4.737 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.084 7.736 5.940 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.406 6.031 4.666 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.359 4.630 4.993 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.326 5.412 3.395 1.00 0.00 H new ATOM 944 N PRO A 66 -1.954 4.760 6.509 1.00 0.00 N ATOM 945 CA PRO A 66 -3.342 4.350 6.447 1.00 0.00 C ATOM 946 C PRO A 66 -4.066 5.191 5.404 1.00 0.00 C ATOM 947 O PRO A 66 -4.211 6.409 5.555 1.00 0.00 O ATOM 948 CB PRO A 66 -3.939 4.532 7.843 1.00 0.00 C ATOM 949 CG PRO A 66 -3.002 5.538 8.500 1.00 0.00 C ATOM 950 CD PRO A 66 -1.696 5.463 7.743 1.00 0.00 C ATOM 0 HA PRO A 66 -3.443 3.306 6.151 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.962 4.906 7.797 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.968 3.591 8.393 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.419 6.544 8.455 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.854 5.301 9.554 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.310 6.463 7.542 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.940 4.942 8.331 1.00 0.00 H new ATOM 958 N VAL A 67 -4.515 4.534 4.342 1.00 0.00 N ATOM 959 CA VAL A 67 -5.177 5.155 3.197 1.00 0.00 C ATOM 960 C VAL A 67 -6.634 5.560 3.497 1.00 0.00 C ATOM 961 O VAL A 67 -7.267 6.244 2.686 1.00 0.00 O ATOM 962 CB VAL A 67 -5.046 4.224 1.971 1.00 0.00 C ATOM 963 CG1 VAL A 67 -3.576 4.148 1.527 1.00 0.00 C ATOM 964 CG2 VAL A 67 -5.570 2.795 2.159 1.00 0.00 C ATOM 0 H VAL A 67 -4.427 3.522 4.249 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.676 6.096 2.970 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.685 4.680 1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.491 3.490 0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.224 5.145 1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.969 3.755 2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.428 2.231 1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.024 2.311 2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.631 2.826 2.405 1.00 0.00 H new ATOM 974 N ALA A 68 -7.171 5.179 4.663 1.00 0.00 N ATOM 975 CA ALA A 68 -8.580 5.380 4.978 1.00 0.00 C ATOM 976 C ALA A 68 -8.870 6.865 5.187 1.00 0.00 C ATOM 977 O ALA A 68 -8.181 7.531 5.962 1.00 0.00 O ATOM 978 CB ALA A 68 -8.984 4.529 6.189 1.00 0.00 C ATOM 0 H ALA A 68 -6.640 4.726 5.407 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.188 5.049 4.137 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -10.039 4.690 6.411 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.817 3.475 5.965 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.383 4.816 7.052 1.00 0.00 H new ATOM 984 N GLY A 69 -9.900 7.394 4.524 1.00 0.00 N ATOM 985 CA GLY A 69 -10.246 8.813 4.619 1.00 0.00 C ATOM 986 C GLY A 69 -9.517 9.685 3.596 1.00 0.00 C ATOM 987 O GLY A 69 -9.755 10.892 3.516 1.00 0.00 O ATOM 0 H GLY A 69 -10.513 6.856 3.911 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.321 8.927 4.482 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.012 9.170 5.622 1.00 0.00 H new ATOM 991 N LYS A 70 -8.586 9.103 2.841 1.00 0.00 N ATOM 992 CA LYS A 70 -7.849 9.742 1.765 1.00 0.00 C ATOM 993 C LYS A 70 -8.472 9.307 0.434 1.00 0.00 C ATOM 994 O LYS A 70 -9.588 8.783 0.417 1.00 0.00 O ATOM 995 CB LYS A 70 -6.358 9.400 1.916 1.00 0.00 C ATOM 996 CG LYS A 70 -5.813 9.364 3.356 1.00 0.00 C ATOM 997 CD LYS A 70 -6.027 10.674 4.102 1.00 0.00 C ATOM 998 CE LYS A 70 -5.109 10.727 5.326 1.00 0.00 C ATOM 999 NZ LYS A 70 -5.450 11.868 6.196 1.00 0.00 N ATOM 0 H LYS A 70 -8.317 8.128 2.973 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.913 10.830 1.799 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.181 8.427 1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.780 10.129 1.349 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.299 8.556 3.903 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.747 9.136 3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.819 11.517 3.443 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.068 10.761 4.412 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.195 9.798 5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.071 10.809 5.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.813 11.880 7.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.345 12.755 5.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.433 11.775 6.522 1.00 0.00 H new ATOM 1013 N THR A 71 -7.792 9.562 -0.680 1.00 0.00 N ATOM 1014 CA THR A 71 -8.332 9.388 -2.027 1.00 0.00 C ATOM 1015 C THR A 71 -7.478 8.408 -2.835 1.00 0.00 C ATOM 1016 O THR A 71 -6.452 7.941 -2.343 1.00 0.00 O ATOM 1017 CB THR A 71 -8.426 10.765 -2.706 1.00 0.00 C ATOM 1018 OG1 THR A 71 -7.204 11.479 -2.577 1.00 0.00 O ATOM 1019 CG2 THR A 71 -9.543 11.606 -2.091 1.00 0.00 C ATOM 0 H THR A 71 -6.830 9.902 -0.673 1.00 0.00 H new ATOM 0 HA THR A 71 -9.331 8.957 -1.972 1.00 0.00 H new ATOM 0 HB THR A 71 -8.640 10.587 -3.760 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.286 12.351 -3.017 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.587 12.574 -2.590 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.496 11.091 -2.214 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.345 11.754 -1.029 1.00 0.00 H new ATOM 1027 N HIS A 72 -7.864 8.104 -4.076 1.00 0.00 N ATOM 1028 CA HIS A 72 -7.030 7.370 -5.026 1.00 0.00 C ATOM 1029 C HIS A 72 -5.657 8.039 -5.134 1.00 0.00 C ATOM 1030 O HIS A 72 -4.638 7.407 -4.852 1.00 0.00 O ATOM 1031 CB HIS A 72 -7.758 7.277 -6.375 1.00 0.00 C ATOM 1032 CG HIS A 72 -6.937 6.725 -7.516 1.00 0.00 C ATOM 1033 ND1 HIS A 72 -6.237 7.463 -8.446 1.00 0.00 N ATOM 1034 CD2 HIS A 72 -6.818 5.407 -7.865 1.00 0.00 C ATOM 1035 CE1 HIS A 72 -5.727 6.605 -9.345 1.00 0.00 C ATOM 1036 NE2 HIS A 72 -6.056 5.342 -9.035 1.00 0.00 N ATOM 0 H HIS A 72 -8.776 8.364 -4.452 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.858 6.351 -4.679 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.642 6.652 -6.250 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.108 8.272 -6.649 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -7.238 4.567 -7.332 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -5.133 6.893 -10.200 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -5.800 4.500 -9.551 1.00 0.00 H new ATOM 1044 N ARG A 73 -5.615 9.335 -5.473 1.00 0.00 N ATOM 1045 CA ARG A 73 -4.367 10.063 -5.689 1.00 0.00 C ATOM 1046 C ARG A 73 -3.407 10.006 -4.496 1.00 0.00 C ATOM 1047 O ARG A 73 -2.189 10.009 -4.669 1.00 0.00 O ATOM 1048 CB ARG A 73 -4.683 11.505 -6.064 1.00 0.00 C ATOM 1049 CG ARG A 73 -3.367 12.158 -6.494 1.00 0.00 C ATOM 1050 CD ARG A 73 -3.614 13.306 -7.452 1.00 0.00 C ATOM 1051 NE ARG A 73 -4.250 14.429 -6.740 1.00 0.00 N ATOM 1052 CZ ARG A 73 -4.926 15.442 -7.283 1.00 0.00 C ATOM 1053 NH1 ARG A 73 -5.003 15.591 -8.596 1.00 0.00 N ATOM 1054 NH2 ARG A 73 -5.540 16.332 -6.517 1.00 0.00 N ATOM 0 H ARG A 73 -6.450 9.905 -5.604 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.843 9.568 -6.507 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.413 11.541 -6.873 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.118 12.036 -5.218 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.834 12.522 -5.616 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.727 11.415 -6.970 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.672 13.631 -7.893 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.253 12.976 -8.271 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.164 14.431 -5.724 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.540 14.924 -9.213 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.525 16.373 -8.991 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.498 16.246 -5.501 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.054 17.103 -6.943 1.00 0.00 H new ATOM 1068 N TYR A 74 -3.950 9.969 -3.284 1.00 0.00 N ATOM 1069 CA TYR A 74 -3.181 9.796 -2.053 1.00 0.00 C ATOM 1070 C TYR A 74 -2.281 8.555 -2.155 1.00 0.00 C ATOM 1071 O TYR A 74 -1.075 8.654 -1.928 1.00 0.00 O ATOM 1072 CB TYR A 74 -4.115 9.742 -0.855 1.00 0.00 C ATOM 1073 CG TYR A 74 -3.395 9.815 0.473 1.00 0.00 C ATOM 1074 CD1 TYR A 74 -2.976 8.631 1.105 1.00 0.00 C ATOM 1075 CD2 TYR A 74 -3.233 11.055 1.118 1.00 0.00 C ATOM 1076 CE1 TYR A 74 -2.386 8.681 2.378 1.00 0.00 C ATOM 1077 CE2 TYR A 74 -2.678 11.108 2.406 1.00 0.00 C ATOM 1078 CZ TYR A 74 -2.239 9.925 3.038 1.00 0.00 C ATOM 1079 OH TYR A 74 -1.743 9.994 4.302 1.00 0.00 O ATOM 0 H TYR A 74 -4.953 10.060 -3.125 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.524 10.654 -1.910 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.825 10.566 -0.920 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.693 8.819 -0.896 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.108 7.680 0.610 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.536 11.966 0.622 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.045 7.773 2.853 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.587 12.056 2.915 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.714 10.930 4.591 1.00 0.00 H new ATOM 1089 N VAL A 75 -2.853 7.407 -2.537 1.00 0.00 N ATOM 1090 CA VAL A 75 -2.147 6.138 -2.717 1.00 0.00 C ATOM 1091 C VAL A 75 -1.205 6.197 -3.916 1.00 0.00 C ATOM 1092 O VAL A 75 -0.113 5.647 -3.850 1.00 0.00 O ATOM 1093 CB VAL A 75 -3.142 4.974 -2.915 1.00 0.00 C ATOM 1094 CG1 VAL A 75 -2.424 3.643 -2.700 1.00 0.00 C ATOM 1095 CG2 VAL A 75 -4.319 5.035 -1.944 1.00 0.00 C ATOM 0 H VAL A 75 -3.851 7.336 -2.735 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.564 5.964 -1.812 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.528 5.061 -3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.128 2.823 -2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.610 3.549 -3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.021 3.606 -1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.986 4.193 -2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.949 4.987 -0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.863 5.968 -2.090 1.00 0.00 H new ATOM 1105 N ILE A 76 -1.594 6.854 -5.008 1.00 0.00 N ATOM 1106 CA ILE A 76 -0.720 7.017 -6.171 1.00 0.00 C ATOM 1107 C ILE A 76 0.583 7.692 -5.732 1.00 0.00 C ATOM 1108 O ILE A 76 1.665 7.294 -6.163 1.00 0.00 O ATOM 1109 CB ILE A 76 -1.493 7.774 -7.282 1.00 0.00 C ATOM 1110 CG1 ILE A 76 -2.750 6.999 -7.756 1.00 0.00 C ATOM 1111 CG2 ILE A 76 -0.629 8.147 -8.497 1.00 0.00 C ATOM 1112 CD1 ILE A 76 -2.532 5.498 -7.966 1.00 0.00 C ATOM 0 H ILE A 76 -2.513 7.284 -5.112 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.432 6.057 -6.599 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.805 8.704 -6.808 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.544 7.138 -7.023 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.099 7.436 -8.691 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.240 8.673 -9.230 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.190 8.792 -8.177 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.223 7.241 -8.947 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.463 5.038 -8.297 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.763 5.344 -8.723 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.215 5.042 -7.028 1.00 0.00 H new ATOM 1124 N ASP A 77 0.495 8.669 -4.831 1.00 0.00 N ATOM 1125 CA ASP A 77 1.666 9.321 -4.272 1.00 0.00 C ATOM 1126 C ASP A 77 2.490 8.369 -3.402 1.00 0.00 C ATOM 1127 O ASP A 77 3.719 8.437 -3.446 1.00 0.00 O ATOM 1128 CB ASP A 77 1.248 10.557 -3.469 1.00 0.00 C ATOM 1129 CG ASP A 77 1.838 11.812 -4.099 1.00 0.00 C ATOM 1130 OD1 ASP A 77 1.220 12.366 -5.036 1.00 0.00 O ATOM 1131 OD2 ASP A 77 2.926 12.257 -3.683 1.00 0.00 O ATOM 0 H ASP A 77 -0.390 9.026 -4.472 1.00 0.00 H new ATOM 0 HA ASP A 77 2.300 9.631 -5.102 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.161 10.631 -3.440 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.589 10.463 -2.438 1.00 0.00 H new ATOM 1136 N LEU A 78 1.835 7.485 -2.636 1.00 0.00 N ATOM 1137 CA LEU A 78 2.510 6.464 -1.833 1.00 0.00 C ATOM 1138 C LEU A 78 3.290 5.502 -2.716 1.00 0.00 C ATOM 1139 O LEU A 78 4.444 5.205 -2.420 1.00 0.00 O ATOM 1140 CB LEU A 78 1.527 5.607 -1.002 1.00 0.00 C ATOM 1141 CG LEU A 78 1.194 6.019 0.431 1.00 0.00 C ATOM 1142 CD1 LEU A 78 2.409 6.567 1.179 1.00 0.00 C ATOM 1143 CD2 LEU A 78 0.060 7.017 0.600 1.00 0.00 C ATOM 0 H LEU A 78 0.818 7.461 -2.558 1.00 0.00 H new ATOM 0 HA LEU A 78 3.170 7.017 -1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.588 5.559 -1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.928 4.594 -0.966 1.00 0.00 H new ATOM 0 HG LEU A 78 0.856 5.075 0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.118 6.845 2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.185 5.803 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.792 7.445 0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.082 7.231 1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.305 7.939 0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.858 6.598 0.189 1.00 0.00 H new ATOM 1155 N MET A 79 2.663 4.962 -3.760 1.00 0.00 N ATOM 1156 CA MET A 79 3.298 4.000 -4.654 1.00 0.00 C ATOM 1157 C MET A 79 4.555 4.590 -5.296 1.00 0.00 C ATOM 1158 O MET A 79 5.570 3.897 -5.399 1.00 0.00 O ATOM 1159 CB MET A 79 2.296 3.527 -5.713 1.00 0.00 C ATOM 1160 CG MET A 79 1.105 2.775 -5.107 1.00 0.00 C ATOM 1161 SD MET A 79 1.473 1.505 -3.863 1.00 0.00 S ATOM 1162 CE MET A 79 2.494 0.362 -4.829 1.00 0.00 C ATOM 0 H MET A 79 1.698 5.181 -4.009 1.00 0.00 H new ATOM 0 HA MET A 79 3.612 3.135 -4.070 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.930 4.389 -6.272 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.806 2.878 -6.425 1.00 0.00 H new ATOM 0 HG2 MET A 79 0.437 3.508 -4.654 1.00 0.00 H new ATOM 0 HG3 MET A 79 0.555 2.302 -5.920 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.755 -0.500 -4.215 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.938 0.029 -5.705 1.00 0.00 H new ATOM 0 HE3 MET A 79 3.405 0.869 -5.148 1.00 0.00 H new ATOM 1172 N HIS A 80 4.525 5.885 -5.623 1.00 0.00 N ATOM 1173 CA HIS A 80 5.674 6.634 -6.110 1.00 0.00 C ATOM 1174 C HIS A 80 6.804 6.750 -5.071 1.00 0.00 C ATOM 1175 O HIS A 80 7.906 7.149 -5.443 1.00 0.00 O ATOM 1176 CB HIS A 80 5.199 8.026 -6.553 1.00 0.00 C ATOM 1177 CG HIS A 80 4.946 8.173 -8.029 1.00 0.00 C ATOM 1178 ND1 HIS A 80 5.789 8.794 -8.919 1.00 0.00 N ATOM 1179 CD2 HIS A 80 3.798 7.852 -8.695 1.00 0.00 C ATOM 1180 CE1 HIS A 80 5.168 8.846 -10.105 1.00 0.00 C ATOM 1181 NE2 HIS A 80 3.929 8.320 -10.016 1.00 0.00 N ATOM 0 H HIS A 80 3.679 6.450 -5.553 1.00 0.00 H new ATOM 0 HA HIS A 80 6.100 6.089 -6.952 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.281 8.268 -6.017 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.946 8.761 -6.253 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.945 7.333 -8.283 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.600 9.253 -11.008 1.00 0.00 H new ATOM 0 HE2 HIS A 80 3.229 8.271 -10.756 1.00 0.00 H new ATOM 1189 N HIS A 81 6.571 6.456 -3.789 1.00 0.00 N ATOM 1190 CA HIS A 81 7.599 6.306 -2.759 1.00 0.00 C ATOM 1191 C HIS A 81 7.969 4.833 -2.570 1.00 0.00 C ATOM 1192 O HIS A 81 9.154 4.498 -2.571 1.00 0.00 O ATOM 1193 CB HIS A 81 7.134 6.923 -1.427 1.00 0.00 C ATOM 1194 CG HIS A 81 7.868 8.194 -1.102 1.00 0.00 C ATOM 1195 ND1 HIS A 81 9.235 8.328 -1.018 1.00 0.00 N ATOM 1196 CD2 HIS A 81 7.306 9.418 -0.872 1.00 0.00 C ATOM 1197 CE1 HIS A 81 9.497 9.629 -0.822 1.00 0.00 C ATOM 1198 NE2 HIS A 81 8.355 10.337 -0.721 1.00 0.00 N ATOM 0 H HIS A 81 5.628 6.311 -3.429 1.00 0.00 H new ATOM 0 HA HIS A 81 8.489 6.841 -3.091 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.064 7.126 -1.477 1.00 0.00 H new ATOM 0 HB3 HIS A 81 7.285 6.203 -0.623 1.00 0.00 H new ATOM 0 HD2 HIS A 81 6.250 9.637 -0.817 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.489 10.052 -0.754 1.00 0.00 H new ATOM 0 HE2 HIS A 81 8.270 11.342 -0.566 1.00 0.00 H new ATOM 1206 N ALA A 82 6.989 3.944 -2.412 1.00 0.00 N ATOM 1207 CA ALA A 82 7.205 2.527 -2.155 1.00 0.00 C ATOM 1208 C ALA A 82 8.086 1.909 -3.245 1.00 0.00 C ATOM 1209 O ALA A 82 9.026 1.163 -2.970 1.00 0.00 O ATOM 1210 CB ALA A 82 5.856 1.815 -2.058 1.00 0.00 C ATOM 0 H ALA A 82 6.002 4.198 -2.461 1.00 0.00 H new ATOM 0 HA ALA A 82 7.729 2.408 -1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.017 0.754 -1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.274 2.247 -1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.313 1.935 -2.995 1.00 0.00 H new ATOM 1216 N ALA A 83 7.861 2.271 -4.510 1.00 0.00 N ATOM 1217 CA ALA A 83 8.686 1.771 -5.598 1.00 0.00 C ATOM 1218 C ALA A 83 10.164 2.184 -5.476 1.00 0.00 C ATOM 1219 O ALA A 83 11.016 1.513 -6.059 1.00 0.00 O ATOM 1220 CB ALA A 83 8.092 2.209 -6.936 1.00 0.00 C ATOM 0 H ALA A 83 7.117 2.906 -4.800 1.00 0.00 H new ATOM 0 HA ALA A 83 8.681 0.683 -5.540 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.712 1.833 -7.750 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.083 1.809 -7.034 1.00 0.00 H new ATOM 0 HB3 ALA A 83 8.057 3.298 -6.980 1.00 0.00 H new ATOM 1226 N ARG A 84 10.494 3.251 -4.738 1.00 0.00 N ATOM 1227 CA ARG A 84 11.873 3.666 -4.443 1.00 0.00 C ATOM 1228 C ARG A 84 12.425 2.823 -3.297 1.00 0.00 C ATOM 1229 O ARG A 84 13.535 2.283 -3.391 1.00 0.00 O ATOM 1230 CB ARG A 84 11.940 5.168 -4.116 1.00 0.00 C ATOM 1231 CG ARG A 84 11.202 5.978 -5.185 1.00 0.00 C ATOM 1232 CD ARG A 84 11.559 7.463 -5.159 1.00 0.00 C ATOM 1233 NE ARG A 84 10.793 8.191 -6.186 1.00 0.00 N ATOM 1234 CZ ARG A 84 10.974 8.061 -7.506 1.00 0.00 C ATOM 1235 NH1 ARG A 84 12.060 7.474 -7.992 1.00 0.00 N ATOM 1236 NH2 ARG A 84 10.049 8.479 -8.360 1.00 0.00 N ATOM 0 H ARG A 84 9.795 3.864 -4.319 1.00 0.00 H new ATOM 0 HA ARG A 84 12.490 3.502 -5.326 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.496 5.354 -3.138 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.980 5.489 -4.060 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.436 5.571 -6.168 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.127 5.865 -5.041 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.346 7.878 -4.174 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.627 7.590 -5.334 1.00 0.00 H new ATOM 0 HE ARG A 84 10.073 8.840 -5.868 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.772 7.114 -7.357 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.183 7.383 -9.001 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.189 8.904 -8.013 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.197 8.375 -9.364 1.00 0.00 H new ATOM 1250 N ASN A 85 11.610 2.611 -2.254 1.00 0.00 N ATOM 1251 CA ASN A 85 11.908 1.659 -1.179 1.00 0.00 C ATOM 1252 C ASN A 85 12.182 0.265 -1.743 1.00 0.00 C ATOM 1253 O ASN A 85 12.895 -0.515 -1.118 1.00 0.00 O ATOM 1254 CB ASN A 85 10.775 1.572 -0.136 1.00 0.00 C ATOM 1255 CG ASN A 85 10.826 2.678 0.906 1.00 0.00 C ATOM 1256 OD1 ASN A 85 11.901 3.158 1.262 1.00 0.00 O ATOM 1257 ND2 ASN A 85 9.692 3.118 1.421 1.00 0.00 N ATOM 0 H ASN A 85 10.722 3.098 -2.133 1.00 0.00 H new ATOM 0 HA ASN A 85 12.800 2.035 -0.678 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.815 1.611 -0.650 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.828 0.606 0.367 1.00 0.00 H new ATOM 0 HD21 ASN A 85 9.704 3.861 2.119 1.00 0.00 H new ATOM 0 HD22 ASN A 85 8.805 2.714 1.120 1.00 0.00 H new ATOM 1264 N GLY A 86 11.678 -0.047 -2.939 1.00 0.00 N ATOM 1265 CA GLY A 86 12.002 -1.257 -3.679 1.00 0.00 C ATOM 1266 C GLY A 86 11.191 -2.453 -3.198 1.00 0.00 C ATOM 1267 O GLY A 86 11.507 -3.598 -3.527 1.00 0.00 O ATOM 0 H GLY A 86 11.016 0.555 -3.428 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.814 -1.094 -4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.065 -1.473 -3.573 1.00 0.00 H new ATOM 1271 N GLN A 87 10.147 -2.200 -2.419 1.00 0.00 N ATOM 1272 CA GLN A 87 9.132 -3.134 -1.986 1.00 0.00 C ATOM 1273 C GLN A 87 7.944 -2.302 -1.506 1.00 0.00 C ATOM 1274 O GLN A 87 8.022 -1.074 -1.463 1.00 0.00 O ATOM 1275 CB GLN A 87 9.667 -4.073 -0.896 1.00 0.00 C ATOM 1276 CG GLN A 87 10.398 -3.385 0.271 1.00 0.00 C ATOM 1277 CD GLN A 87 11.869 -3.798 0.364 1.00 0.00 C ATOM 1278 OE1 GLN A 87 12.224 -4.977 0.297 1.00 0.00 O ATOM 1279 NE2 GLN A 87 12.779 -2.856 0.520 1.00 0.00 N ATOM 0 H GLN A 87 9.981 -1.264 -2.049 1.00 0.00 H new ATOM 0 HA GLN A 87 8.824 -3.787 -2.803 1.00 0.00 H new ATOM 0 HB2 GLN A 87 8.832 -4.645 -0.492 1.00 0.00 H new ATOM 0 HB3 GLN A 87 10.349 -4.787 -1.358 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.334 -2.304 0.149 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.895 -3.630 1.206 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.496 -1.878 0.577 1.00 0.00 H new ATOM 0 HE22 GLN A 87 13.766 -3.106 0.584 1.00 0.00 H new ATOM 1288 N VAL A 88 6.847 -2.956 -1.161 1.00 0.00 N ATOM 1289 CA VAL A 88 5.714 -2.347 -0.502 1.00 0.00 C ATOM 1290 C VAL A 88 5.170 -3.376 0.477 1.00 0.00 C ATOM 1291 O VAL A 88 5.463 -4.571 0.379 1.00 0.00 O ATOM 1292 CB VAL A 88 4.704 -1.859 -1.571 1.00 0.00 C ATOM 1293 CG1 VAL A 88 4.041 -3.009 -2.341 1.00 0.00 C ATOM 1294 CG2 VAL A 88 3.623 -0.926 -1.009 1.00 0.00 C ATOM 0 H VAL A 88 6.721 -3.953 -1.339 1.00 0.00 H new ATOM 0 HA VAL A 88 5.971 -1.455 0.070 1.00 0.00 H new ATOM 0 HB VAL A 88 5.314 -1.285 -2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.345 -2.602 -3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.806 -3.593 -2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.500 -3.649 -1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.951 -0.623 -1.812 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.056 -1.449 -0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.093 -0.043 -0.577 1.00 0.00 H new ATOM 1304 N ASN A 89 4.339 -2.905 1.392 1.00 0.00 N ATOM 1305 CA ASN A 89 3.494 -3.709 2.248 1.00 0.00 C ATOM 1306 C ASN A 89 2.104 -3.105 2.096 1.00 0.00 C ATOM 1307 O ASN A 89 1.962 -1.878 2.058 1.00 0.00 O ATOM 1308 CB ASN A 89 4.036 -3.679 3.680 1.00 0.00 C ATOM 1309 CG ASN A 89 4.884 -4.914 3.975 1.00 0.00 C ATOM 1310 OD1 ASN A 89 4.403 -6.033 4.068 1.00 0.00 O ATOM 1311 ND2 ASN A 89 6.192 -4.771 4.106 1.00 0.00 N ATOM 0 H ASN A 89 4.233 -1.905 1.563 1.00 0.00 H new ATOM 0 HA ASN A 89 3.466 -4.766 1.983 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.635 -2.780 3.826 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.206 -3.628 4.385 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.779 -5.586 4.281 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.614 -3.845 4.032 1.00 0.00 H new ATOM 1318 N LEU A 90 1.099 -3.946 1.890 1.00 0.00 N ATOM 1319 CA LEU A 90 -0.263 -3.609 1.510 1.00 0.00 C ATOM 1320 C LEU A 90 -1.151 -4.367 2.480 1.00 0.00 C ATOM 1321 O LEU A 90 -1.365 -5.565 2.320 1.00 0.00 O ATOM 1322 CB LEU A 90 -0.554 -4.068 0.069 1.00 0.00 C ATOM 1323 CG LEU A 90 0.383 -3.519 -1.015 1.00 0.00 C ATOM 1324 CD1 LEU A 90 0.304 -4.410 -2.257 1.00 0.00 C ATOM 1325 CD2 LEU A 90 0.053 -2.065 -1.359 1.00 0.00 C ATOM 0 H LEU A 90 1.225 -4.953 1.992 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.433 -2.533 1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.512 -5.157 0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.575 -3.782 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 90 1.403 -3.531 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.969 -4.020 -3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.605 -5.425 -1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.719 -4.420 -2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.737 -1.709 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.972 -2.001 -1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.159 -1.447 -0.467 1.00 0.00 H new ATOM 1337 N THR A 91 -1.610 -3.705 3.530 1.00 0.00 N ATOM 1338 CA THR A 91 -2.465 -4.346 4.510 1.00 0.00 C ATOM 1339 C THR A 91 -3.881 -4.224 3.956 1.00 0.00 C ATOM 1340 O THR A 91 -4.331 -3.098 3.764 1.00 0.00 O ATOM 1341 CB THR A 91 -2.274 -3.641 5.860 1.00 0.00 C ATOM 1342 OG1 THR A 91 -0.891 -3.532 6.163 1.00 0.00 O ATOM 1343 CG2 THR A 91 -2.999 -4.364 6.995 1.00 0.00 C ATOM 0 H THR A 91 -1.404 -2.725 3.723 1.00 0.00 H new ATOM 0 HA THR A 91 -2.235 -5.398 4.681 1.00 0.00 H new ATOM 0 HB THR A 91 -2.710 -2.646 5.771 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.559 -4.394 6.490 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.835 -3.829 7.930 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.067 -4.400 6.780 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.612 -5.379 7.085 1.00 0.00 H new ATOM 1351 N VAL A 92 -4.557 -5.331 3.653 1.00 0.00 N ATOM 1352 CA VAL A 92 -5.968 -5.367 3.255 1.00 0.00 C ATOM 1353 C VAL A 92 -6.804 -5.874 4.443 1.00 0.00 C ATOM 1354 O VAL A 92 -6.240 -6.363 5.420 1.00 0.00 O ATOM 1355 CB VAL A 92 -6.152 -6.218 1.972 1.00 0.00 C ATOM 1356 CG1 VAL A 92 -5.368 -5.675 0.770 1.00 0.00 C ATOM 1357 CG2 VAL A 92 -5.755 -7.688 2.160 1.00 0.00 C ATOM 0 H VAL A 92 -4.128 -6.256 3.678 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.320 -4.367 3.002 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.221 -6.151 1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.539 -6.315 -0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.703 -4.663 0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.304 -5.661 1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.907 -8.228 1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.705 -7.748 2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.370 -8.134 2.942 1.00 0.00 H new ATOM 1367 N ARG A 93 -8.139 -5.816 4.412 1.00 0.00 N ATOM 1368 CA ARG A 93 -8.988 -6.345 5.486 1.00 0.00 C ATOM 1369 C ARG A 93 -10.355 -6.762 4.986 1.00 0.00 C ATOM 1370 O ARG A 93 -10.887 -6.096 4.099 1.00 0.00 O ATOM 1371 CB ARG A 93 -9.117 -5.292 6.585 1.00 0.00 C ATOM 1372 CG ARG A 93 -10.074 -4.131 6.305 1.00 0.00 C ATOM 1373 CD ARG A 93 -10.155 -3.199 7.518 1.00 0.00 C ATOM 1374 NE ARG A 93 -10.232 -1.774 7.151 1.00 0.00 N ATOM 1375 CZ ARG A 93 -9.721 -0.772 7.886 1.00 0.00 C ATOM 1376 NH1 ARG A 93 -9.081 -0.991 9.035 1.00 0.00 N ATOM 1377 NH2 ARG A 93 -9.818 0.481 7.465 1.00 0.00 N ATOM 0 H ARG A 93 -8.663 -5.401 3.641 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.514 -7.243 5.883 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.442 -5.790 7.499 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -8.127 -4.879 6.781 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.733 -3.573 5.433 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.065 -4.518 6.069 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -11.030 -3.462 8.112 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.281 -3.358 8.149 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.705 -1.532 6.280 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -8.967 -1.943 9.382 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.706 -0.206 9.567 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.282 0.687 6.580 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.429 1.239 8.026 1.00 0.00 H new ATOM 1391 N ARG A 94 -10.954 -7.811 5.554 1.00 0.00 N ATOM 1392 CA ARG A 94 -12.287 -8.263 5.161 1.00 0.00 C ATOM 1393 C ARG A 94 -13.026 -8.825 6.361 1.00 0.00 C ATOM 1394 O ARG A 94 -12.496 -9.650 7.114 1.00 0.00 O ATOM 1395 CB ARG A 94 -12.211 -9.267 3.990 1.00 0.00 C ATOM 1396 CG ARG A 94 -12.583 -8.591 2.656 1.00 0.00 C ATOM 1397 CD ARG A 94 -11.972 -9.259 1.413 1.00 0.00 C ATOM 1398 NE ARG A 94 -13.002 -9.869 0.550 1.00 0.00 N ATOM 1399 CZ ARG A 94 -13.327 -11.160 0.496 1.00 0.00 C ATOM 1400 NH1 ARG A 94 -12.660 -12.036 1.227 1.00 0.00 N ATOM 1401 NH2 ARG A 94 -14.324 -11.593 -0.264 1.00 0.00 N ATOM 0 H ARG A 94 -10.530 -8.368 6.296 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.857 -7.408 4.798 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.204 -9.679 3.924 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.885 -10.102 4.179 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.668 -8.587 2.555 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -12.262 -7.550 2.689 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -11.413 -8.518 0.842 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -11.261 -10.024 1.725 1.00 0.00 H new ATOM 0 HE ARG A 94 -13.516 -9.240 -0.066 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.899 -11.723 1.830 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.906 -13.025 1.188 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -14.862 -10.932 -0.825 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -14.553 -12.587 -0.288 1.00 0.00 H new ATOM 1415 N LYS A 95 -14.261 -8.360 6.547 1.00 0.00 N ATOM 1416 CA LYS A 95 -15.160 -8.776 7.615 1.00 0.00 C ATOM 1417 C LYS A 95 -15.349 -10.279 7.568 1.00 0.00 C ATOM 1418 O LYS A 95 -15.656 -10.857 6.526 1.00 0.00 O ATOM 1419 CB LYS A 95 -16.485 -7.995 7.553 1.00 0.00 C ATOM 1420 CG LYS A 95 -16.910 -7.417 8.915 1.00 0.00 C ATOM 1421 CD LYS A 95 -17.967 -8.242 9.660 1.00 0.00 C ATOM 1422 CE LYS A 95 -19.378 -7.661 9.511 1.00 0.00 C ATOM 1423 NZ LYS A 95 -19.505 -6.348 10.180 1.00 0.00 N ATOM 0 H LYS A 95 -14.675 -7.658 5.934 1.00 0.00 H new ATOM 0 HA LYS A 95 -14.717 -8.537 8.582 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -16.387 -7.181 6.834 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -17.271 -8.654 7.183 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.027 -7.327 9.548 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -17.297 -6.409 8.762 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -17.957 -9.265 9.283 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -17.707 -8.290 10.717 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -19.617 -7.554 8.453 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -20.104 -8.356 9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -20.509 -6.144 10.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -18.991 -6.368 11.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -19.104 -5.607 9.570 1.00 0.00 H new