USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 527 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 36 HIS : no HD1:sc= -0.0139 X(o=-0.015,f=-0.00076) USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc=-0.000764 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 41:sc= 0.606 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 156:sc= 1.16 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -51:sc= 0.781 USER MOD Single : A 26 SER OG : rot 24:sc= 0.129 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -178:sc= 0 (180deg=-0.00505) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 44 MET CE :methyl -121:sc= -0.0256 (180deg=-1.35) USER MOD Single : A 48 ASN : amide:sc= 0.0039 K(o=0.0039,f=-7.5!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.615 USER MOD Single : A 54 GLN : amide:sc= -0.0377 X(o=-0.038,f=-0.38) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.904 11.030 2.459 1.00 0.00 N ATOM 2 CA GLY A 1 -16.264 12.262 2.884 1.00 0.00 C ATOM 3 C GLY A 1 -17.264 13.352 3.211 1.00 0.00 C ATOM 4 O GLY A 1 -18.188 13.609 2.439 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.178 10.317 2.247 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.522 10.680 3.219 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.472 11.210 1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.648 12.064 3.761 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.596 12.611 2.097 1.00 0.00 H new ATOM 8 N SER A 2 -17.082 13.995 4.360 1.00 0.00 N ATOM 9 CA SER A 2 -17.980 15.060 4.791 1.00 0.00 C ATOM 10 C SER A 2 -17.913 16.247 3.835 1.00 0.00 C ATOM 11 O SER A 2 -17.171 17.202 4.064 1.00 0.00 O ATOM 12 CB SER A 2 -17.625 15.513 6.209 1.00 0.00 C ATOM 13 OG SER A 2 -16.276 15.939 6.286 1.00 0.00 O ATOM 0 H SER A 2 -16.321 13.797 5.009 1.00 0.00 H new ATOM 0 HA SER A 2 -18.997 14.668 4.786 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.284 16.327 6.510 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.791 14.693 6.908 1.00 0.00 H new ATOM 0 HG SER A 2 -16.052 16.462 5.488 1.00 0.00 H new ATOM 19 N SER A 3 -18.693 16.179 2.761 1.00 0.00 N ATOM 20 CA SER A 3 -18.721 17.245 1.767 1.00 0.00 C ATOM 21 C SER A 3 -17.318 17.534 1.241 1.00 0.00 C ATOM 22 O SER A 3 -16.936 18.689 1.060 1.00 0.00 O ATOM 23 CB SER A 3 -19.324 18.516 2.367 1.00 0.00 C ATOM 24 OG SER A 3 -20.736 18.422 2.445 1.00 0.00 O ATOM 0 H SER A 3 -19.314 15.396 2.557 1.00 0.00 H new ATOM 0 HA SER A 3 -19.342 16.915 0.934 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.912 18.683 3.362 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.047 19.377 1.758 1.00 0.00 H new ATOM 0 HG SER A 3 -21.098 19.246 2.833 1.00 0.00 H new ATOM 30 N GLY A 4 -16.553 16.473 0.998 1.00 0.00 N ATOM 31 CA GLY A 4 -15.201 16.633 0.496 1.00 0.00 C ATOM 32 C GLY A 4 -14.505 15.305 0.272 1.00 0.00 C ATOM 33 O GLY A 4 -13.550 14.971 0.973 1.00 0.00 O ATOM 0 H GLY A 4 -16.846 15.506 1.140 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.228 17.188 -0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.622 17.228 1.202 1.00 0.00 H new ATOM 37 N SER A 5 -14.985 14.545 -0.707 1.00 0.00 N ATOM 38 CA SER A 5 -14.406 13.243 -1.018 1.00 0.00 C ATOM 39 C SER A 5 -12.932 13.378 -1.385 1.00 0.00 C ATOM 40 O SER A 5 -12.592 13.778 -2.498 1.00 0.00 O ATOM 41 CB SER A 5 -15.171 12.582 -2.166 1.00 0.00 C ATOM 42 OG SER A 5 -14.514 11.407 -2.607 1.00 0.00 O ATOM 0 H SER A 5 -15.773 14.808 -1.298 1.00 0.00 H new ATOM 0 HA SER A 5 -14.485 12.616 -0.130 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.182 12.337 -1.840 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.265 13.283 -2.995 1.00 0.00 H new ATOM 0 HG SER A 5 -15.024 11.003 -3.340 1.00 0.00 H new ATOM 48 N SER A 6 -12.060 13.041 -0.440 1.00 0.00 N ATOM 49 CA SER A 6 -10.621 13.128 -0.662 1.00 0.00 C ATOM 50 C SER A 6 -10.061 11.786 -1.124 1.00 0.00 C ATOM 51 O SER A 6 -9.896 10.862 -0.329 1.00 0.00 O ATOM 52 CB SER A 6 -9.913 13.575 0.618 1.00 0.00 C ATOM 53 OG SER A 6 -10.007 14.978 0.790 1.00 0.00 O ATOM 0 H SER A 6 -12.325 12.705 0.486 1.00 0.00 H new ATOM 0 HA SER A 6 -10.442 13.866 -1.444 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.355 13.070 1.477 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.864 13.280 0.579 1.00 0.00 H new ATOM 0 HG SER A 6 -9.548 15.238 1.616 1.00 0.00 H new ATOM 59 N GLY A 7 -9.769 11.688 -2.418 1.00 0.00 N ATOM 60 CA GLY A 7 -9.231 10.457 -2.966 1.00 0.00 C ATOM 61 C GLY A 7 -7.719 10.480 -3.068 1.00 0.00 C ATOM 62 O GLY A 7 -7.162 11.063 -3.999 1.00 0.00 O ATOM 0 H GLY A 7 -9.896 12.439 -3.096 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.537 9.620 -2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.656 10.287 -3.955 1.00 0.00 H new ATOM 66 N ARG A 8 -7.053 9.846 -2.109 1.00 0.00 N ATOM 67 CA ARG A 8 -5.595 9.800 -2.093 1.00 0.00 C ATOM 68 C ARG A 8 -5.082 8.591 -2.871 1.00 0.00 C ATOM 69 O ARG A 8 -5.796 7.603 -3.045 1.00 0.00 O ATOM 70 CB ARG A 8 -5.081 9.749 -0.653 1.00 0.00 C ATOM 71 CG ARG A 8 -3.702 10.363 -0.478 1.00 0.00 C ATOM 72 CD ARG A 8 -2.944 9.712 0.668 1.00 0.00 C ATOM 73 NE ARG A 8 -3.781 9.545 1.853 1.00 0.00 N ATOM 74 CZ ARG A 8 -4.100 10.540 2.674 1.00 0.00 C ATOM 75 NH1 ARG A 8 -3.654 11.766 2.439 1.00 0.00 N ATOM 76 NH2 ARG A 8 -4.866 10.308 3.732 1.00 0.00 N ATOM 0 H ARG A 8 -7.499 9.357 -1.333 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.222 10.705 -2.573 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.786 10.270 -0.005 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.052 8.711 -0.323 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.133 10.252 -1.401 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.800 11.432 -0.290 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.570 8.739 0.349 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.076 10.321 0.920 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.140 8.614 2.062 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.065 11.947 1.627 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.900 12.528 3.071 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.210 9.366 3.916 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.111 11.072 4.362 1.00 0.00 H new ATOM 90 N ARG A 9 -3.841 8.678 -3.337 1.00 0.00 N ATOM 91 CA ARG A 9 -3.233 7.593 -4.098 1.00 0.00 C ATOM 92 C ARG A 9 -1.822 7.301 -3.596 1.00 0.00 C ATOM 93 O ARG A 9 -1.053 8.217 -3.305 1.00 0.00 O ATOM 94 CB ARG A 9 -3.193 7.945 -5.586 1.00 0.00 C ATOM 95 CG ARG A 9 -4.449 7.543 -6.341 1.00 0.00 C ATOM 96 CD ARG A 9 -4.150 7.248 -7.803 1.00 0.00 C ATOM 97 NE ARG A 9 -5.341 7.366 -8.640 1.00 0.00 N ATOM 98 CZ ARG A 9 -5.440 6.841 -9.856 1.00 0.00 C ATOM 99 NH1 ARG A 9 -4.425 6.163 -10.373 1.00 0.00 N ATOM 100 NH2 ARG A 9 -6.557 6.992 -10.556 1.00 0.00 N ATOM 0 H ARG A 9 -3.237 9.488 -3.201 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.842 6.700 -3.959 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.044 9.019 -5.693 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.332 7.457 -6.043 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.889 6.662 -5.874 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.187 8.342 -6.274 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.385 7.936 -8.162 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.742 6.241 -7.894 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.141 7.880 -8.270 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.566 6.044 -9.837 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.503 5.761 -11.307 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.340 7.512 -10.160 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.632 6.589 -11.490 1.00 0.00 H new ATOM 114 N VAL A 10 -1.489 6.018 -3.496 1.00 0.00 N ATOM 115 CA VAL A 10 -0.170 5.605 -3.029 1.00 0.00 C ATOM 116 C VAL A 10 0.391 4.482 -3.894 1.00 0.00 C ATOM 117 O VAL A 10 -0.331 3.870 -4.682 1.00 0.00 O ATOM 118 CB VAL A 10 -0.216 5.135 -1.563 1.00 0.00 C ATOM 119 CG1 VAL A 10 -0.371 6.324 -0.626 1.00 0.00 C ATOM 120 CG2 VAL A 10 -1.343 4.135 -1.359 1.00 0.00 C ATOM 0 H VAL A 10 -2.114 5.247 -3.732 1.00 0.00 H new ATOM 0 HA VAL A 10 0.480 6.477 -3.103 1.00 0.00 H new ATOM 0 HB VAL A 10 0.726 4.638 -1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.402 5.973 0.405 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.474 7.001 -0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.296 6.851 -0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.360 3.814 -0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.295 4.603 -1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.183 3.270 -2.003 1.00 0.00 H new ATOM 130 N ARG A 11 1.684 4.215 -3.741 1.00 0.00 N ATOM 131 CA ARG A 11 2.343 3.165 -4.508 1.00 0.00 C ATOM 132 C ARG A 11 3.311 2.376 -3.631 1.00 0.00 C ATOM 133 O ARG A 11 4.033 2.949 -2.815 1.00 0.00 O ATOM 134 CB ARG A 11 3.092 3.767 -5.698 1.00 0.00 C ATOM 135 CG ARG A 11 4.100 2.819 -6.327 1.00 0.00 C ATOM 136 CD ARG A 11 4.934 3.517 -7.390 1.00 0.00 C ATOM 137 NE ARG A 11 6.189 2.817 -7.648 1.00 0.00 N ATOM 138 CZ ARG A 11 6.931 3.014 -8.732 1.00 0.00 C ATOM 139 NH1 ARG A 11 6.546 3.885 -9.654 1.00 0.00 N ATOM 140 NH2 ARG A 11 8.061 2.338 -8.896 1.00 0.00 N ATOM 0 H ARG A 11 2.296 4.711 -3.093 1.00 0.00 H new ATOM 0 HA ARG A 11 1.576 2.484 -4.876 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.369 4.070 -6.456 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.609 4.669 -5.372 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.756 2.418 -5.554 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.577 1.972 -6.772 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.360 3.585 -8.314 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.147 4.537 -7.071 1.00 0.00 H new ATOM 0 HE ARG A 11 6.514 2.140 -6.958 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.678 4.406 -9.532 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.118 4.034 -10.485 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.361 1.666 -8.189 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.630 2.490 -9.729 1.00 0.00 H new ATOM 154 N ALA A 12 3.320 1.059 -3.804 1.00 0.00 N ATOM 155 CA ALA A 12 4.199 0.192 -3.030 1.00 0.00 C ATOM 156 C ALA A 12 5.630 0.251 -3.555 1.00 0.00 C ATOM 157 O ALA A 12 5.942 -0.324 -4.598 1.00 0.00 O ATOM 158 CB ALA A 12 3.685 -1.240 -3.055 1.00 0.00 C ATOM 0 H ALA A 12 2.728 0.569 -4.474 1.00 0.00 H new ATOM 0 HA ALA A 12 4.202 0.547 -2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.352 -1.876 -2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.684 -1.275 -2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.651 -1.596 -4.085 1.00 0.00 H new ATOM 164 N ILE A 13 6.494 0.950 -2.826 1.00 0.00 N ATOM 165 CA ILE A 13 7.891 1.084 -3.219 1.00 0.00 C ATOM 166 C ILE A 13 8.608 -0.261 -3.168 1.00 0.00 C ATOM 167 O ILE A 13 9.674 -0.432 -3.759 1.00 0.00 O ATOM 168 CB ILE A 13 8.636 2.085 -2.317 1.00 0.00 C ATOM 169 CG1 ILE A 13 8.559 1.642 -0.854 1.00 0.00 C ATOM 170 CG2 ILE A 13 8.058 3.482 -2.485 1.00 0.00 C ATOM 171 CD1 ILE A 13 9.624 2.263 0.022 1.00 0.00 C ATOM 0 H ILE A 13 6.251 1.432 -1.961 1.00 0.00 H new ATOM 0 HA ILE A 13 7.896 1.457 -4.243 1.00 0.00 H new ATOM 0 HB ILE A 13 9.684 2.109 -2.615 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.577 1.899 -0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.648 0.557 -0.806 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.595 4.178 -1.841 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.161 3.796 -3.524 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.003 3.475 -2.211 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.509 1.904 1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.610 1.985 -0.351 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.522 3.348 0.005 1.00 0.00 H new ATOM 183 N LEU A 14 8.014 -1.215 -2.458 1.00 0.00 N ATOM 184 CA LEU A 14 8.594 -2.547 -2.330 1.00 0.00 C ATOM 185 C LEU A 14 7.504 -3.605 -2.192 1.00 0.00 C ATOM 186 O LEU A 14 6.426 -3.353 -1.654 1.00 0.00 O ATOM 187 CB LEU A 14 9.531 -2.603 -1.122 1.00 0.00 C ATOM 188 CG LEU A 14 10.868 -1.877 -1.276 1.00 0.00 C ATOM 189 CD1 LEU A 14 11.360 -1.374 0.072 1.00 0.00 C ATOM 190 CD2 LEU A 14 11.902 -2.794 -1.915 1.00 0.00 C ATOM 0 H LEU A 14 7.131 -1.090 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 14 9.165 -2.756 -3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.009 -2.183 -0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.733 -3.649 -0.892 1.00 0.00 H new ATOM 0 HG LEU A 14 10.720 -1.017 -1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.313 -0.860 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.629 -0.683 0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.492 -2.218 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.847 -2.261 -2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.047 -3.673 -1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.553 -3.106 -2.900 1.00 0.00 H new ATOM 202 N PRO A 15 7.790 -4.818 -2.687 1.00 0.00 N ATOM 203 CA PRO A 15 6.848 -5.939 -2.628 1.00 0.00 C ATOM 204 C PRO A 15 6.652 -6.457 -1.208 1.00 0.00 C ATOM 205 O PRO A 15 7.598 -6.518 -0.422 1.00 0.00 O ATOM 206 CB PRO A 15 7.513 -7.008 -3.500 1.00 0.00 C ATOM 207 CG PRO A 15 8.967 -6.686 -3.450 1.00 0.00 C ATOM 208 CD PRO A 15 9.056 -5.189 -3.342 1.00 0.00 C ATOM 0 HA PRO A 15 5.852 -5.652 -2.966 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.316 -8.010 -3.118 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.135 -6.977 -4.522 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.444 -7.168 -2.597 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.477 -7.044 -4.344 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.919 -4.879 -2.753 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.154 -4.721 -4.321 1.00 0.00 H new ATOM 216 N TYR A 16 5.419 -6.831 -0.884 1.00 0.00 N ATOM 217 CA TYR A 16 5.098 -7.342 0.443 1.00 0.00 C ATOM 218 C TYR A 16 4.228 -8.592 0.350 1.00 0.00 C ATOM 219 O TYR A 16 3.422 -8.736 -0.570 1.00 0.00 O ATOM 220 CB TYR A 16 4.383 -6.270 1.267 1.00 0.00 C ATOM 221 CG TYR A 16 3.877 -6.768 2.602 1.00 0.00 C ATOM 222 CD1 TYR A 16 4.735 -6.896 3.688 1.00 0.00 C ATOM 223 CD2 TYR A 16 2.543 -7.113 2.777 1.00 0.00 C ATOM 224 CE1 TYR A 16 4.277 -7.351 4.909 1.00 0.00 C ATOM 225 CE2 TYR A 16 2.077 -7.569 3.994 1.00 0.00 C ATOM 226 CZ TYR A 16 2.948 -7.686 5.058 1.00 0.00 C ATOM 227 OH TYR A 16 2.487 -8.141 6.272 1.00 0.00 O ATOM 0 H TYR A 16 4.625 -6.790 -1.523 1.00 0.00 H new ATOM 0 HA TYR A 16 6.032 -7.607 0.937 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.066 -5.437 1.435 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.543 -5.882 0.691 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.777 -6.635 3.575 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.858 -7.023 1.947 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.957 -7.444 5.743 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.036 -7.833 4.113 1.00 0.00 H new ATOM 0 HH TYR A 16 1.526 -7.965 6.343 1.00 0.00 H new ATOM 237 N THR A 17 4.396 -9.495 1.311 1.00 0.00 N ATOM 238 CA THR A 17 3.628 -10.734 1.339 1.00 0.00 C ATOM 239 C THR A 17 2.546 -10.685 2.410 1.00 0.00 C ATOM 240 O THR A 17 2.840 -10.674 3.606 1.00 0.00 O ATOM 241 CB THR A 17 4.535 -11.951 1.596 1.00 0.00 C ATOM 242 OG1 THR A 17 5.625 -11.956 0.667 1.00 0.00 O ATOM 243 CG2 THR A 17 3.749 -13.248 1.470 1.00 0.00 C ATOM 0 H THR A 17 5.057 -9.392 2.081 1.00 0.00 H new ATOM 0 HA THR A 17 3.161 -10.839 0.360 1.00 0.00 H new ATOM 0 HB THR A 17 4.924 -11.877 2.611 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.198 -12.732 0.839 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.411 -14.094 1.656 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.938 -13.254 2.199 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.334 -13.326 0.465 1.00 0.00 H new ATOM 251 N LYS A 18 1.290 -10.656 1.976 1.00 0.00 N ATOM 252 CA LYS A 18 0.162 -10.610 2.898 1.00 0.00 C ATOM 253 C LYS A 18 0.304 -11.671 3.985 1.00 0.00 C ATOM 254 O LYS A 18 1.082 -12.615 3.847 1.00 0.00 O ATOM 255 CB LYS A 18 -1.152 -10.816 2.140 1.00 0.00 C ATOM 256 CG LYS A 18 -1.392 -12.255 1.718 1.00 0.00 C ATOM 257 CD LYS A 18 -2.871 -12.538 1.518 1.00 0.00 C ATOM 258 CE LYS A 18 -3.598 -12.668 2.847 1.00 0.00 C ATOM 259 NZ LYS A 18 -4.987 -13.177 2.673 1.00 0.00 N ATOM 0 H LYS A 18 1.028 -10.664 0.990 1.00 0.00 H new ATOM 0 HA LYS A 18 0.152 -9.628 3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.980 -10.488 2.769 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.154 -10.181 1.254 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.853 -12.458 0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.991 -12.929 2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.320 -11.735 0.933 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.992 -13.457 0.944 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.043 -13.342 3.500 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.626 -11.697 3.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.448 -13.251 3.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.524 -12.521 2.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.959 -14.115 2.224 1.00 0.00 H new ATOM 273 N VAL A 19 -0.453 -11.509 5.066 1.00 0.00 N ATOM 274 CA VAL A 19 -0.412 -12.454 6.176 1.00 0.00 C ATOM 275 C VAL A 19 -1.699 -13.269 6.251 1.00 0.00 C ATOM 276 O VAL A 19 -2.801 -12.753 6.068 1.00 0.00 O ATOM 277 CB VAL A 19 -0.195 -11.733 7.519 1.00 0.00 C ATOM 278 CG1 VAL A 19 -0.242 -12.725 8.671 1.00 0.00 C ATOM 279 CG2 VAL A 19 1.124 -10.976 7.510 1.00 0.00 C ATOM 0 H VAL A 19 -1.102 -10.733 5.197 1.00 0.00 H new ATOM 0 HA VAL A 19 0.429 -13.123 5.992 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.000 -11.012 7.659 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.087 -12.197 9.612 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.214 -13.218 8.687 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.541 -13.472 8.540 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.261 -10.472 8.467 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.944 -11.676 7.347 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.114 -10.237 6.709 1.00 0.00 H new ATOM 289 N PRO A 20 -1.557 -14.574 6.526 1.00 0.00 N ATOM 290 CA PRO A 20 -2.697 -15.489 6.633 1.00 0.00 C ATOM 291 C PRO A 20 -3.543 -15.219 7.873 1.00 0.00 C ATOM 292 O PRO A 20 -3.040 -14.731 8.885 1.00 0.00 O ATOM 293 CB PRO A 20 -2.039 -16.867 6.725 1.00 0.00 C ATOM 294 CG PRO A 20 -0.683 -16.603 7.284 1.00 0.00 C ATOM 295 CD PRO A 20 -0.273 -15.257 6.755 1.00 0.00 C ATOM 0 HA PRO A 20 -3.383 -15.385 5.793 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.609 -17.536 7.369 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -1.978 -17.343 5.746 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.703 -16.605 8.374 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.023 -17.375 6.977 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.348 -14.717 7.470 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.304 -15.346 5.835 1.00 0.00 H new ATOM 303 N ASP A 21 -4.830 -15.538 7.786 1.00 0.00 N ATOM 304 CA ASP A 21 -5.745 -15.331 8.902 1.00 0.00 C ATOM 305 C ASP A 21 -5.873 -13.847 9.232 1.00 0.00 C ATOM 306 O ASP A 21 -5.947 -13.463 10.400 1.00 0.00 O ATOM 307 CB ASP A 21 -5.264 -16.100 10.134 1.00 0.00 C ATOM 308 CG ASP A 21 -6.394 -16.423 11.092 1.00 0.00 C ATOM 309 OD1 ASP A 21 -6.693 -15.579 11.962 1.00 0.00 O ATOM 310 OD2 ASP A 21 -6.978 -17.521 10.973 1.00 0.00 O ATOM 0 H ASP A 21 -5.263 -15.941 6.955 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.726 -15.706 8.609 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.785 -17.026 9.817 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.508 -15.512 10.654 1.00 0.00 H new ATOM 315 N THR A 22 -5.898 -13.016 8.195 1.00 0.00 N ATOM 316 CA THR A 22 -6.015 -11.574 8.374 1.00 0.00 C ATOM 317 C THR A 22 -6.636 -10.916 7.147 1.00 0.00 C ATOM 318 O THR A 22 -6.932 -11.584 6.156 1.00 0.00 O ATOM 319 CB THR A 22 -4.644 -10.929 8.650 1.00 0.00 C ATOM 320 OG1 THR A 22 -3.812 -11.031 7.488 1.00 0.00 O ATOM 321 CG2 THR A 22 -3.958 -11.600 9.831 1.00 0.00 C ATOM 0 H THR A 22 -5.839 -13.317 7.222 1.00 0.00 H new ATOM 0 HA THR A 22 -6.663 -11.414 9.236 1.00 0.00 H new ATOM 0 HB THR A 22 -4.803 -9.878 8.892 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.804 -11.958 7.172 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.992 -11.128 10.007 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.580 -11.496 10.720 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.810 -12.658 9.613 1.00 0.00 H new ATOM 329 N ASP A 23 -6.829 -9.604 7.219 1.00 0.00 N ATOM 330 CA ASP A 23 -7.413 -8.855 6.113 1.00 0.00 C ATOM 331 C ASP A 23 -6.329 -8.161 5.294 1.00 0.00 C ATOM 332 O ASP A 23 -6.577 -7.134 4.663 1.00 0.00 O ATOM 333 CB ASP A 23 -8.412 -7.823 6.638 1.00 0.00 C ATOM 334 CG ASP A 23 -9.650 -8.465 7.232 1.00 0.00 C ATOM 335 OD1 ASP A 23 -9.522 -9.157 8.263 1.00 0.00 O ATOM 336 OD2 ASP A 23 -10.747 -8.277 6.664 1.00 0.00 O ATOM 0 H ASP A 23 -6.589 -9.037 8.032 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.937 -9.559 5.467 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.928 -7.206 7.395 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.705 -7.159 5.825 1.00 0.00 H new ATOM 341 N GLU A 24 -5.127 -8.729 5.311 1.00 0.00 N ATOM 342 CA GLU A 24 -4.005 -8.162 4.571 1.00 0.00 C ATOM 343 C GLU A 24 -3.993 -8.666 3.131 1.00 0.00 C ATOM 344 O GLU A 24 -4.520 -9.738 2.833 1.00 0.00 O ATOM 345 CB GLU A 24 -2.683 -8.515 5.257 1.00 0.00 C ATOM 346 CG GLU A 24 -2.597 -8.034 6.695 1.00 0.00 C ATOM 347 CD GLU A 24 -1.177 -8.042 7.229 1.00 0.00 C ATOM 348 OE1 GLU A 24 -0.255 -7.689 6.464 1.00 0.00 O ATOM 349 OE2 GLU A 24 -0.988 -8.401 8.410 1.00 0.00 O ATOM 0 H GLU A 24 -4.905 -9.580 5.828 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.122 -7.078 4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.550 -9.597 5.236 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.861 -8.081 4.688 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.000 -7.024 6.761 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.221 -8.668 7.324 1.00 0.00 H new ATOM 356 N ILE A 25 -3.391 -7.883 2.242 1.00 0.00 N ATOM 357 CA ILE A 25 -3.310 -8.250 0.833 1.00 0.00 C ATOM 358 C ILE A 25 -1.875 -8.161 0.323 1.00 0.00 C ATOM 359 O ILE A 25 -1.090 -7.336 0.789 1.00 0.00 O ATOM 360 CB ILE A 25 -4.207 -7.348 -0.035 1.00 0.00 C ATOM 361 CG1 ILE A 25 -3.772 -5.887 0.089 1.00 0.00 C ATOM 362 CG2 ILE A 25 -5.666 -7.508 0.367 1.00 0.00 C ATOM 363 CD1 ILE A 25 -4.283 -5.007 -1.031 1.00 0.00 C ATOM 0 H ILE A 25 -2.953 -6.991 2.472 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.658 -9.280 0.754 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.102 -7.651 -1.077 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.125 -5.491 1.041 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.683 -5.841 0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.288 -6.864 -0.255 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.969 -8.546 0.231 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.788 -7.228 1.413 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.936 -3.985 -0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.909 -5.378 -1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.373 -5.023 -1.038 1.00 0.00 H new ATOM 375 N SER A 26 -1.541 -9.016 -0.637 1.00 0.00 N ATOM 376 CA SER A 26 -0.200 -9.037 -1.210 1.00 0.00 C ATOM 377 C SER A 26 -0.110 -8.106 -2.416 1.00 0.00 C ATOM 378 O SER A 26 -0.972 -8.125 -3.294 1.00 0.00 O ATOM 379 CB SER A 26 0.181 -10.461 -1.621 1.00 0.00 C ATOM 380 OG SER A 26 -0.678 -10.944 -2.639 1.00 0.00 O ATOM 0 H SER A 26 -2.180 -9.704 -1.035 1.00 0.00 H new ATOM 0 HA SER A 26 0.498 -8.687 -0.450 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.213 -10.478 -1.973 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.129 -11.120 -0.754 1.00 0.00 H new ATOM 0 HG SER A 26 -1.069 -10.187 -3.123 1.00 0.00 H new ATOM 386 N PHE A 27 0.941 -7.293 -2.450 1.00 0.00 N ATOM 387 CA PHE A 27 1.144 -6.354 -3.547 1.00 0.00 C ATOM 388 C PHE A 27 2.586 -6.404 -4.045 1.00 0.00 C ATOM 389 O PHE A 27 3.466 -6.953 -3.381 1.00 0.00 O ATOM 390 CB PHE A 27 0.796 -4.932 -3.100 1.00 0.00 C ATOM 391 CG PHE A 27 1.254 -4.613 -1.706 1.00 0.00 C ATOM 392 CD1 PHE A 27 0.586 -5.130 -0.608 1.00 0.00 C ATOM 393 CD2 PHE A 27 2.354 -3.796 -1.493 1.00 0.00 C ATOM 394 CE1 PHE A 27 1.005 -4.837 0.676 1.00 0.00 C ATOM 395 CE2 PHE A 27 2.777 -3.500 -0.212 1.00 0.00 C ATOM 396 CZ PHE A 27 2.103 -4.022 0.875 1.00 0.00 C ATOM 0 H PHE A 27 1.664 -7.266 -1.731 1.00 0.00 H new ATOM 0 HA PHE A 27 0.485 -6.642 -4.366 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.246 -4.221 -3.793 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.284 -4.795 -3.159 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.272 -5.769 -0.757 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.886 -3.386 -2.339 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.474 -5.245 1.524 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.634 -2.861 -0.060 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.433 -3.794 1.878 1.00 0.00 H new ATOM 406 N LEU A 28 2.820 -5.827 -5.219 1.00 0.00 N ATOM 407 CA LEU A 28 4.155 -5.805 -5.808 1.00 0.00 C ATOM 408 C LEU A 28 4.643 -4.373 -5.997 1.00 0.00 C ATOM 409 O LEU A 28 3.858 -3.426 -5.950 1.00 0.00 O ATOM 410 CB LEU A 28 4.152 -6.537 -7.151 1.00 0.00 C ATOM 411 CG LEU A 28 4.117 -8.065 -7.083 1.00 0.00 C ATOM 412 CD1 LEU A 28 5.448 -8.608 -6.590 1.00 0.00 C ATOM 413 CD2 LEU A 28 2.982 -8.532 -6.184 1.00 0.00 C ATOM 0 H LEU A 28 2.103 -5.368 -5.782 1.00 0.00 H new ATOM 0 HA LEU A 28 4.836 -6.313 -5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.289 -6.199 -7.724 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.041 -6.238 -7.707 1.00 0.00 H new ATOM 0 HG LEU A 28 3.941 -8.451 -8.087 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.404 -9.696 -6.548 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.241 -8.303 -7.273 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.655 -8.215 -5.595 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.972 -9.621 -6.147 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.128 -8.136 -5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.032 -8.174 -6.581 1.00 0.00 H new ATOM 425 N LYS A 29 5.945 -4.221 -6.213 1.00 0.00 N ATOM 426 CA LYS A 29 6.540 -2.905 -6.414 1.00 0.00 C ATOM 427 C LYS A 29 5.838 -2.157 -7.542 1.00 0.00 C ATOM 428 O LYS A 29 5.669 -2.686 -8.640 1.00 0.00 O ATOM 429 CB LYS A 29 8.032 -3.039 -6.727 1.00 0.00 C ATOM 430 CG LYS A 29 8.808 -1.745 -6.555 1.00 0.00 C ATOM 431 CD LYS A 29 10.220 -1.864 -7.104 1.00 0.00 C ATOM 432 CE LYS A 29 10.947 -0.529 -7.066 1.00 0.00 C ATOM 433 NZ LYS A 29 12.289 -0.610 -7.707 1.00 0.00 N ATOM 0 H LYS A 29 6.609 -4.994 -6.253 1.00 0.00 H new ATOM 0 HA LYS A 29 6.418 -2.335 -5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.464 -3.801 -6.078 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.150 -3.390 -7.752 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.285 -0.936 -7.065 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.849 -1.482 -5.498 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.777 -2.599 -6.523 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.183 -2.230 -8.130 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.347 0.226 -7.574 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.058 -0.205 -6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.752 0.320 -7.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 12.871 -1.312 -7.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.182 -0.894 -8.702 1.00 0.00 H new ATOM 447 N GLY A 30 5.431 -0.922 -7.265 1.00 0.00 N ATOM 448 CA GLY A 30 4.753 -0.121 -8.267 1.00 0.00 C ATOM 449 C GLY A 30 3.244 -0.185 -8.138 1.00 0.00 C ATOM 450 O GLY A 30 2.541 0.749 -8.524 1.00 0.00 O ATOM 0 H GLY A 30 5.559 -0.462 -6.364 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.078 0.916 -8.180 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.044 -0.464 -9.260 1.00 0.00 H new ATOM 454 N ASP A 31 2.745 -1.290 -7.595 1.00 0.00 N ATOM 455 CA ASP A 31 1.309 -1.473 -7.415 1.00 0.00 C ATOM 456 C ASP A 31 0.684 -0.248 -6.755 1.00 0.00 C ATOM 457 O ASP A 31 1.143 0.207 -5.708 1.00 0.00 O ATOM 458 CB ASP A 31 1.033 -2.719 -6.572 1.00 0.00 C ATOM 459 CG ASP A 31 1.327 -4.002 -7.324 1.00 0.00 C ATOM 460 OD1 ASP A 31 2.413 -4.099 -7.932 1.00 0.00 O ATOM 461 OD2 ASP A 31 0.469 -4.911 -7.304 1.00 0.00 O ATOM 0 H ASP A 31 3.314 -2.073 -7.272 1.00 0.00 H new ATOM 0 HA ASP A 31 0.858 -1.603 -8.399 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.640 -2.684 -5.667 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.010 -2.717 -6.256 1.00 0.00 H new ATOM 466 N MET A 32 -0.366 0.281 -7.375 1.00 0.00 N ATOM 467 CA MET A 32 -1.054 1.453 -6.847 1.00 0.00 C ATOM 468 C MET A 32 -2.241 1.043 -5.982 1.00 0.00 C ATOM 469 O MET A 32 -2.660 -0.115 -5.994 1.00 0.00 O ATOM 470 CB MET A 32 -1.529 2.351 -7.992 1.00 0.00 C ATOM 471 CG MET A 32 -0.485 3.358 -8.447 1.00 0.00 C ATOM 472 SD MET A 32 -0.657 3.799 -10.187 1.00 0.00 S ATOM 473 CE MET A 32 -0.626 5.587 -10.088 1.00 0.00 C ATOM 0 H MET A 32 -0.759 -0.083 -8.243 1.00 0.00 H new ATOM 0 HA MET A 32 -0.350 2.008 -6.227 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.813 1.726 -8.839 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.425 2.886 -7.676 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.565 4.259 -7.838 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.510 2.946 -8.277 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.759 6.009 -11.084 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.432 5.929 -9.439 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.331 5.912 -9.681 1.00 0.00 H new ATOM 483 N PHE A 33 -2.779 1.999 -5.232 1.00 0.00 N ATOM 484 CA PHE A 33 -3.918 1.736 -4.359 1.00 0.00 C ATOM 485 C PHE A 33 -4.731 3.006 -4.128 1.00 0.00 C ATOM 486 O PHE A 33 -4.355 4.087 -4.582 1.00 0.00 O ATOM 487 CB PHE A 33 -3.441 1.172 -3.019 1.00 0.00 C ATOM 488 CG PHE A 33 -2.243 0.273 -3.139 1.00 0.00 C ATOM 489 CD1 PHE A 33 -0.969 0.807 -3.249 1.00 0.00 C ATOM 490 CD2 PHE A 33 -2.391 -1.104 -3.141 1.00 0.00 C ATOM 491 CE1 PHE A 33 0.135 -0.018 -3.361 1.00 0.00 C ATOM 492 CE2 PHE A 33 -1.291 -1.934 -3.252 1.00 0.00 C ATOM 493 CZ PHE A 33 -0.026 -1.390 -3.361 1.00 0.00 C ATOM 0 H PHE A 33 -2.445 2.963 -5.211 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.557 1.001 -4.848 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.199 1.999 -2.351 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.257 0.617 -2.556 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.837 1.879 -3.247 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.378 -1.535 -3.055 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.123 0.410 -3.448 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.421 -3.006 -3.253 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.835 -2.036 -3.446 1.00 0.00 H new ATOM 503 N ILE A 34 -5.847 2.866 -3.420 1.00 0.00 N ATOM 504 CA ILE A 34 -6.713 4.002 -3.129 1.00 0.00 C ATOM 505 C ILE A 34 -7.009 4.098 -1.636 1.00 0.00 C ATOM 506 O ILE A 34 -7.890 3.409 -1.121 1.00 0.00 O ATOM 507 CB ILE A 34 -8.043 3.908 -3.900 1.00 0.00 C ATOM 508 CG1 ILE A 34 -7.779 3.736 -5.397 1.00 0.00 C ATOM 509 CG2 ILE A 34 -8.892 5.144 -3.644 1.00 0.00 C ATOM 510 CD1 ILE A 34 -8.975 3.222 -6.167 1.00 0.00 C ATOM 0 H ILE A 34 -6.172 1.978 -3.038 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.179 4.897 -3.450 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.591 3.035 -3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.472 4.694 -5.816 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.946 3.047 -5.534 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.829 5.063 -4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.105 5.225 -2.578 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.352 6.031 -3.975 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.715 3.125 -7.221 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.269 2.249 -5.775 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.804 3.922 -6.061 1.00 0.00 H new ATOM 522 N VAL A 35 -6.269 4.960 -0.946 1.00 0.00 N ATOM 523 CA VAL A 35 -6.454 5.150 0.488 1.00 0.00 C ATOM 524 C VAL A 35 -7.873 5.610 0.803 1.00 0.00 C ATOM 525 O VAL A 35 -8.253 6.741 0.496 1.00 0.00 O ATOM 526 CB VAL A 35 -5.455 6.178 1.051 1.00 0.00 C ATOM 527 CG1 VAL A 35 -5.467 6.156 2.572 1.00 0.00 C ATOM 528 CG2 VAL A 35 -4.057 5.910 0.517 1.00 0.00 C ATOM 0 H VAL A 35 -5.536 5.538 -1.357 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.275 4.184 0.961 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.760 7.172 0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.755 6.889 2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.466 6.401 2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.188 5.163 2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.364 6.646 0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.740 4.910 0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.063 5.982 -0.571 1.00 0.00 H new ATOM 538 N HIS A 36 -8.653 4.727 1.418 1.00 0.00 N ATOM 539 CA HIS A 36 -10.031 5.043 1.776 1.00 0.00 C ATOM 540 C HIS A 36 -10.131 5.453 3.242 1.00 0.00 C ATOM 541 O HIS A 36 -10.673 6.508 3.566 1.00 0.00 O ATOM 542 CB HIS A 36 -10.939 3.842 1.507 1.00 0.00 C ATOM 543 CG HIS A 36 -11.272 3.656 0.059 1.00 0.00 C ATOM 544 ND1 HIS A 36 -12.121 4.494 -0.632 1.00 0.00 N ATOM 545 CD2 HIS A 36 -10.863 2.721 -0.831 1.00 0.00 C ATOM 546 CE1 HIS A 36 -12.222 4.082 -1.883 1.00 0.00 C ATOM 547 NE2 HIS A 36 -11.468 3.008 -2.030 1.00 0.00 N ATOM 0 H HIS A 36 -8.354 3.787 1.679 1.00 0.00 H new ATOM 0 HA HIS A 36 -10.357 5.881 1.160 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -10.454 2.940 1.879 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -11.864 3.962 2.072 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -10.187 1.902 -0.635 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -12.820 4.545 -2.654 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -11.354 2.478 -2.894 1.00 0.00 H new ATOM 555 N ASN A 37 -9.605 4.609 4.124 1.00 0.00 N ATOM 556 CA ASN A 37 -9.636 4.884 5.557 1.00 0.00 C ATOM 557 C ASN A 37 -8.223 5.042 6.111 1.00 0.00 C ATOM 558 O ASN A 37 -7.293 4.371 5.666 1.00 0.00 O ATOM 559 CB ASN A 37 -10.363 3.759 6.297 1.00 0.00 C ATOM 560 CG ASN A 37 -11.036 4.243 7.566 1.00 0.00 C ATOM 561 OD1 ASN A 37 -11.957 5.058 7.521 1.00 0.00 O ATOM 562 ND2 ASN A 37 -10.578 3.740 8.707 1.00 0.00 N ATOM 0 H ASN A 37 -9.153 3.730 3.873 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.174 5.819 5.711 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -11.111 3.318 5.638 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.651 2.971 6.544 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.992 4.027 9.594 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.812 3.066 8.696 1.00 0.00 H new ATOM 569 N GLU A 38 -8.073 5.934 7.085 1.00 0.00 N ATOM 570 CA GLU A 38 -6.774 6.181 7.700 1.00 0.00 C ATOM 571 C GLU A 38 -6.757 5.700 9.148 1.00 0.00 C ATOM 572 O GLU A 38 -7.320 6.344 10.035 1.00 0.00 O ATOM 573 CB GLU A 38 -6.432 7.671 7.642 1.00 0.00 C ATOM 574 CG GLU A 38 -6.489 8.254 6.240 1.00 0.00 C ATOM 575 CD GLU A 38 -6.572 9.769 6.241 1.00 0.00 C ATOM 576 OE1 GLU A 38 -5.600 10.415 6.688 1.00 0.00 O ATOM 577 OE2 GLU A 38 -7.607 10.307 5.797 1.00 0.00 O ATOM 0 H GLU A 38 -8.834 6.497 7.465 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.024 5.622 7.141 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.123 8.219 8.283 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.432 7.822 8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.604 7.943 5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.354 7.847 5.716 1.00 0.00 H new ATOM 584 N LEU A 39 -6.108 4.564 9.381 1.00 0.00 N ATOM 585 CA LEU A 39 -6.018 3.995 10.721 1.00 0.00 C ATOM 586 C LEU A 39 -4.968 4.725 11.553 1.00 0.00 C ATOM 587 O LEU A 39 -4.258 5.595 11.049 1.00 0.00 O ATOM 588 CB LEU A 39 -5.678 2.506 10.642 1.00 0.00 C ATOM 589 CG LEU A 39 -6.743 1.607 10.014 1.00 0.00 C ATOM 590 CD1 LEU A 39 -8.052 1.713 10.782 1.00 0.00 C ATOM 591 CD2 LEU A 39 -6.950 1.968 8.550 1.00 0.00 C ATOM 0 H LEU A 39 -5.636 4.019 8.659 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.987 4.115 11.206 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.755 2.394 10.073 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.476 2.146 11.651 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.397 0.575 10.067 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.798 1.066 10.320 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.894 1.404 11.815 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.403 2.745 10.761 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.711 1.318 8.119 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.273 3.006 8.473 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.013 1.839 8.007 1.00 0.00 H new ATOM 603 N GLU A 40 -4.873 4.362 12.828 1.00 0.00 N ATOM 604 CA GLU A 40 -3.909 4.982 13.729 1.00 0.00 C ATOM 605 C GLU A 40 -2.655 4.122 13.859 1.00 0.00 C ATOM 606 O GLU A 40 -1.535 4.633 13.857 1.00 0.00 O ATOM 607 CB GLU A 40 -4.534 5.205 15.107 1.00 0.00 C ATOM 608 CG GLU A 40 -5.734 6.135 15.088 1.00 0.00 C ATOM 609 CD GLU A 40 -7.031 5.409 14.788 1.00 0.00 C ATOM 610 OE1 GLU A 40 -7.505 4.654 15.662 1.00 0.00 O ATOM 611 OE2 GLU A 40 -7.572 5.596 13.678 1.00 0.00 O ATOM 0 H GLU A 40 -5.452 3.642 13.260 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.625 5.946 13.308 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.838 4.243 15.519 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.778 5.615 15.777 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.817 6.635 16.053 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.575 6.911 14.340 1.00 0.00 H new ATOM 618 N ASP A 41 -2.853 2.813 13.973 1.00 0.00 N ATOM 619 CA ASP A 41 -1.740 1.880 14.104 1.00 0.00 C ATOM 620 C ASP A 41 -0.647 2.192 13.086 1.00 0.00 C ATOM 621 O ASP A 41 0.518 1.850 13.287 1.00 0.00 O ATOM 622 CB ASP A 41 -2.227 0.442 13.923 1.00 0.00 C ATOM 623 CG ASP A 41 -3.348 0.334 12.908 1.00 0.00 C ATOM 624 OD1 ASP A 41 -3.487 1.256 12.076 1.00 0.00 O ATOM 625 OD2 ASP A 41 -4.087 -0.672 12.945 1.00 0.00 O ATOM 0 H ASP A 41 -3.774 2.374 13.977 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.322 1.990 15.105 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.393 -0.184 13.607 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.571 0.054 14.882 1.00 0.00 H new ATOM 630 N GLY A 42 -1.032 2.842 11.992 1.00 0.00 N ATOM 631 CA GLY A 42 -0.073 3.187 10.959 1.00 0.00 C ATOM 632 C GLY A 42 -0.425 2.579 9.615 1.00 0.00 C ATOM 633 O GLY A 42 0.335 2.700 8.654 1.00 0.00 O ATOM 0 H GLY A 42 -1.990 3.136 11.803 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.023 4.271 10.862 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.918 2.848 11.260 1.00 0.00 H new ATOM 637 N TRP A 43 -1.577 1.922 9.549 1.00 0.00 N ATOM 638 CA TRP A 43 -2.026 1.291 8.313 1.00 0.00 C ATOM 639 C TRP A 43 -3.066 2.155 7.607 1.00 0.00 C ATOM 640 O TRP A 43 -3.441 3.218 8.101 1.00 0.00 O ATOM 641 CB TRP A 43 -2.609 -0.093 8.606 1.00 0.00 C ATOM 642 CG TRP A 43 -1.716 -0.946 9.454 1.00 0.00 C ATOM 643 CD1 TRP A 43 -1.283 -0.673 10.720 1.00 0.00 C ATOM 644 CD2 TRP A 43 -1.146 -2.210 9.097 1.00 0.00 C ATOM 645 NE1 TRP A 43 -0.477 -1.690 11.172 1.00 0.00 N ATOM 646 CE2 TRP A 43 -0.378 -2.646 10.195 1.00 0.00 C ATOM 647 CE3 TRP A 43 -1.210 -3.016 7.958 1.00 0.00 C ATOM 648 CZ2 TRP A 43 0.319 -3.851 10.184 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -0.518 -4.212 7.948 1.00 0.00 C ATOM 650 CH2 TRP A 43 0.238 -4.621 9.055 1.00 0.00 C ATOM 0 H TRP A 43 -2.217 1.812 10.336 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.164 1.183 7.655 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.570 0.024 9.107 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.801 -0.606 7.663 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.537 0.213 11.284 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.026 -1.727 12.086 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.790 -2.710 7.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.903 -4.167 11.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.560 -4.842 7.072 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.767 -5.562 9.017 1.00 0.00 H new ATOM 661 N MET A 44 -3.527 1.691 6.450 1.00 0.00 N ATOM 662 CA MET A 44 -4.524 2.423 5.677 1.00 0.00 C ATOM 663 C MET A 44 -5.327 1.475 4.791 1.00 0.00 C ATOM 664 O MET A 44 -4.779 0.843 3.887 1.00 0.00 O ATOM 665 CB MET A 44 -3.851 3.495 4.819 1.00 0.00 C ATOM 666 CG MET A 44 -2.889 4.379 5.597 1.00 0.00 C ATOM 667 SD MET A 44 -2.293 5.778 4.627 1.00 0.00 S ATOM 668 CE MET A 44 -0.909 5.031 3.771 1.00 0.00 C ATOM 0 H MET A 44 -3.227 0.813 6.027 1.00 0.00 H new ATOM 0 HA MET A 44 -5.207 2.905 6.376 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.310 3.011 4.005 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.619 4.120 4.364 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.386 4.749 6.494 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.039 3.782 5.927 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.005 5.571 4.017 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.810 3.990 4.079 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.079 5.077 2.695 1.00 0.00 H new ATOM 678 N TRP A 45 -6.625 1.383 5.054 1.00 0.00 N ATOM 679 CA TRP A 45 -7.502 0.512 4.280 1.00 0.00 C ATOM 680 C TRP A 45 -7.590 0.978 2.831 1.00 0.00 C ATOM 681 O TRP A 45 -8.494 1.730 2.465 1.00 0.00 O ATOM 682 CB TRP A 45 -8.898 0.475 4.903 1.00 0.00 C ATOM 683 CG TRP A 45 -9.789 -0.571 4.304 1.00 0.00 C ATOM 684 CD1 TRP A 45 -10.672 -0.404 3.275 1.00 0.00 C ATOM 685 CD2 TRP A 45 -9.883 -1.944 4.697 1.00 0.00 C ATOM 686 NE1 TRP A 45 -11.310 -1.591 3.006 1.00 0.00 N ATOM 687 CE2 TRP A 45 -10.843 -2.551 3.864 1.00 0.00 C ATOM 688 CE3 TRP A 45 -9.249 -2.721 5.671 1.00 0.00 C ATOM 689 CZ2 TRP A 45 -11.183 -3.897 3.978 1.00 0.00 C ATOM 690 CZ3 TRP A 45 -9.588 -4.056 5.782 1.00 0.00 C ATOM 691 CH2 TRP A 45 -10.547 -4.633 4.940 1.00 0.00 C ATOM 0 H TRP A 45 -7.094 1.901 5.797 1.00 0.00 H new ATOM 0 HA TRP A 45 -7.080 -0.493 4.294 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -8.805 0.293 5.974 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -9.367 1.452 4.785 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -10.843 0.524 2.750 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -12.017 -1.734 2.284 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -8.508 -2.286 6.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -11.922 -4.344 3.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -9.105 -4.665 6.531 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -10.789 -5.679 5.052 1.00 0.00 H new ATOM 702 N VAL A 46 -6.647 0.527 2.010 1.00 0.00 N ATOM 703 CA VAL A 46 -6.621 0.898 0.600 1.00 0.00 C ATOM 704 C VAL A 46 -7.114 -0.246 -0.279 1.00 0.00 C ATOM 705 O VAL A 46 -7.427 -1.332 0.213 1.00 0.00 O ATOM 706 CB VAL A 46 -5.202 1.299 0.152 1.00 0.00 C ATOM 707 CG1 VAL A 46 -4.521 2.137 1.223 1.00 0.00 C ATOM 708 CG2 VAL A 46 -4.378 0.063 -0.174 1.00 0.00 C ATOM 0 H VAL A 46 -5.891 -0.095 2.297 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.287 1.753 0.485 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.282 1.903 -0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.520 2.411 0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.103 3.041 1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.451 1.561 2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.379 0.364 -0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.305 -0.569 0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.859 -0.493 -0.978 1.00 0.00 H new ATOM 718 N THR A 47 -7.182 0.003 -1.583 1.00 0.00 N ATOM 719 CA THR A 47 -7.639 -1.006 -2.531 1.00 0.00 C ATOM 720 C THR A 47 -6.722 -1.071 -3.747 1.00 0.00 C ATOM 721 O THR A 47 -6.700 -0.156 -4.569 1.00 0.00 O ATOM 722 CB THR A 47 -9.078 -0.724 -3.001 1.00 0.00 C ATOM 723 OG1 THR A 47 -9.925 -0.485 -1.871 1.00 0.00 O ATOM 724 CG2 THR A 47 -9.621 -1.892 -3.811 1.00 0.00 C ATOM 0 H THR A 47 -6.926 0.895 -2.007 1.00 0.00 H new ATOM 0 HA THR A 47 -7.617 -1.963 -2.010 1.00 0.00 H new ATOM 0 HB THR A 47 -9.062 0.162 -3.636 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.838 -0.305 -2.179 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.639 -1.670 -4.132 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.991 -2.052 -4.686 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.623 -2.792 -3.196 1.00 0.00 H new ATOM 732 N ASN A 48 -5.968 -2.160 -3.856 1.00 0.00 N ATOM 733 CA ASN A 48 -5.049 -2.345 -4.973 1.00 0.00 C ATOM 734 C ASN A 48 -5.766 -2.148 -6.305 1.00 0.00 C ATOM 735 O ASN A 48 -6.940 -2.494 -6.448 1.00 0.00 O ATOM 736 CB ASN A 48 -4.422 -3.739 -4.920 1.00 0.00 C ATOM 737 CG ASN A 48 -3.054 -3.784 -5.573 1.00 0.00 C ATOM 738 OD1 ASN A 48 -2.760 -3.002 -6.478 1.00 0.00 O ATOM 739 ND2 ASN A 48 -2.210 -4.702 -5.118 1.00 0.00 N ATOM 0 H ASN A 48 -5.975 -2.928 -3.184 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.261 -1.597 -4.890 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.336 -4.056 -3.881 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.082 -4.450 -5.417 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.276 -4.780 -5.520 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.496 -5.330 -4.366 1.00 0.00 H new ATOM 746 N LEU A 49 -5.053 -1.591 -7.278 1.00 0.00 N ATOM 747 CA LEU A 49 -5.621 -1.349 -8.600 1.00 0.00 C ATOM 748 C LEU A 49 -5.369 -2.534 -9.526 1.00 0.00 C ATOM 749 O LEU A 49 -5.932 -2.612 -10.618 1.00 0.00 O ATOM 750 CB LEU A 49 -5.025 -0.077 -9.207 1.00 0.00 C ATOM 751 CG LEU A 49 -5.425 1.238 -8.537 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.754 2.415 -9.228 1.00 0.00 C ATOM 753 CD2 LEU A 49 -6.938 1.402 -8.548 1.00 0.00 C ATOM 0 H LEU A 49 -4.081 -1.299 -7.177 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.698 -1.222 -8.488 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.939 -0.160 -9.179 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.314 -0.029 -10.257 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.089 1.213 -7.500 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.050 3.342 -8.737 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.671 2.303 -9.168 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.059 2.445 -10.274 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.205 2.343 -8.067 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.296 1.406 -9.577 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.398 0.575 -8.007 1.00 0.00 H new ATOM 765 N ARG A 50 -4.521 -3.456 -9.082 1.00 0.00 N ATOM 766 CA ARG A 50 -4.196 -4.638 -9.871 1.00 0.00 C ATOM 767 C ARG A 50 -5.022 -5.839 -9.417 1.00 0.00 C ATOM 768 O ARG A 50 -5.537 -6.598 -10.238 1.00 0.00 O ATOM 769 CB ARG A 50 -2.705 -4.960 -9.757 1.00 0.00 C ATOM 770 CG ARG A 50 -2.245 -6.060 -10.698 1.00 0.00 C ATOM 771 CD ARG A 50 -2.399 -7.435 -10.066 1.00 0.00 C ATOM 772 NE ARG A 50 -1.217 -7.820 -9.300 1.00 0.00 N ATOM 773 CZ ARG A 50 -1.018 -9.043 -8.820 1.00 0.00 C ATOM 774 NH1 ARG A 50 -1.919 -9.994 -9.026 1.00 0.00 N ATOM 775 NH2 ARG A 50 0.083 -9.316 -8.132 1.00 0.00 N ATOM 0 H ARG A 50 -4.047 -3.407 -8.180 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.436 -4.425 -10.913 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.130 -4.056 -9.960 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.483 -5.255 -8.731 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.823 -6.016 -11.621 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.201 -5.897 -10.967 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.271 -7.438 -9.413 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.582 -8.174 -10.846 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.505 -7.111 -9.124 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.767 -9.787 -9.554 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.764 -10.932 -8.657 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.778 -8.587 -7.971 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.235 -10.255 -7.764 1.00 0.00 H new ATOM 789 N THR A 51 -5.144 -6.004 -8.104 1.00 0.00 N ATOM 790 CA THR A 51 -5.906 -7.112 -7.541 1.00 0.00 C ATOM 791 C THR A 51 -7.343 -6.698 -7.245 1.00 0.00 C ATOM 792 O THR A 51 -8.201 -7.541 -6.986 1.00 0.00 O ATOM 793 CB THR A 51 -5.258 -7.637 -6.245 1.00 0.00 C ATOM 794 OG1 THR A 51 -5.483 -6.712 -5.175 1.00 0.00 O ATOM 795 CG2 THR A 51 -3.764 -7.848 -6.434 1.00 0.00 C ATOM 0 H THR A 51 -4.725 -5.385 -7.410 1.00 0.00 H new ATOM 0 HA THR A 51 -5.907 -7.907 -8.287 1.00 0.00 H new ATOM 0 HB THR A 51 -5.716 -8.595 -5.999 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.070 -7.054 -4.355 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.329 -8.219 -5.506 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.597 -8.575 -7.229 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.294 -6.902 -6.703 1.00 0.00 H new ATOM 803 N ASP A 52 -7.598 -5.395 -7.287 1.00 0.00 N ATOM 804 CA ASP A 52 -8.933 -4.869 -7.026 1.00 0.00 C ATOM 805 C ASP A 52 -9.490 -5.424 -5.719 1.00 0.00 C ATOM 806 O ASP A 52 -10.666 -5.775 -5.634 1.00 0.00 O ATOM 807 CB ASP A 52 -9.874 -5.210 -8.182 1.00 0.00 C ATOM 808 CG ASP A 52 -9.879 -4.143 -9.259 1.00 0.00 C ATOM 809 OD1 ASP A 52 -9.564 -2.977 -8.941 1.00 0.00 O ATOM 810 OD2 ASP A 52 -10.198 -4.475 -10.420 1.00 0.00 O ATOM 0 H ASP A 52 -6.898 -4.684 -7.499 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.858 -3.785 -6.937 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.576 -6.163 -8.620 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.886 -5.338 -7.797 1.00 0.00 H new ATOM 815 N GLU A 53 -8.636 -5.502 -4.703 1.00 0.00 N ATOM 816 CA GLU A 53 -9.043 -6.017 -3.401 1.00 0.00 C ATOM 817 C GLU A 53 -8.650 -5.051 -2.287 1.00 0.00 C ATOM 818 O GLU A 53 -7.659 -4.329 -2.398 1.00 0.00 O ATOM 819 CB GLU A 53 -8.411 -7.387 -3.149 1.00 0.00 C ATOM 820 CG GLU A 53 -8.977 -8.489 -4.030 1.00 0.00 C ATOM 821 CD GLU A 53 -8.838 -9.864 -3.405 1.00 0.00 C ATOM 822 OE1 GLU A 53 -7.943 -10.040 -2.552 1.00 0.00 O ATOM 823 OE2 GLU A 53 -9.624 -10.764 -3.769 1.00 0.00 O ATOM 0 H GLU A 53 -7.659 -5.215 -4.757 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.128 -6.121 -3.403 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.336 -7.318 -3.314 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.557 -7.658 -2.103 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.030 -8.288 -4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.466 -8.478 -4.993 1.00 0.00 H new ATOM 830 N GLN A 54 -9.434 -5.044 -1.213 1.00 0.00 N ATOM 831 CA GLN A 54 -9.168 -4.167 -0.080 1.00 0.00 C ATOM 832 C GLN A 54 -8.340 -4.884 0.981 1.00 0.00 C ATOM 833 O GLN A 54 -8.417 -6.103 1.125 1.00 0.00 O ATOM 834 CB GLN A 54 -10.482 -3.674 0.530 1.00 0.00 C ATOM 835 CG GLN A 54 -11.559 -3.381 -0.502 1.00 0.00 C ATOM 836 CD GLN A 54 -12.881 -2.991 0.128 1.00 0.00 C ATOM 837 OE1 GLN A 54 -13.320 -3.600 1.105 1.00 0.00 O ATOM 838 NE2 GLN A 54 -13.525 -1.971 -0.427 1.00 0.00 N ATOM 0 H GLN A 54 -10.258 -5.636 -1.105 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.599 -3.311 -0.442 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -10.853 -4.425 1.228 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.288 -2.770 1.108 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -11.221 -2.577 -1.156 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -11.705 -4.261 -1.129 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -13.125 -1.495 -1.235 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -14.419 -1.664 -0.045 1.00 0.00 H new ATOM 847 N GLY A 55 -7.545 -4.117 1.723 1.00 0.00 N ATOM 848 CA GLY A 55 -6.713 -4.697 2.761 1.00 0.00 C ATOM 849 C GLY A 55 -6.027 -3.644 3.609 1.00 0.00 C ATOM 850 O GLY A 55 -6.254 -2.447 3.429 1.00 0.00 O ATOM 0 H GLY A 55 -7.463 -3.105 1.623 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.325 -5.332 3.401 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.960 -5.338 2.303 1.00 0.00 H new ATOM 854 N LEU A 56 -5.189 -4.090 4.538 1.00 0.00 N ATOM 855 CA LEU A 56 -4.469 -3.178 5.420 1.00 0.00 C ATOM 856 C LEU A 56 -2.978 -3.173 5.098 1.00 0.00 C ATOM 857 O LEU A 56 -2.312 -4.205 5.180 1.00 0.00 O ATOM 858 CB LEU A 56 -4.685 -3.573 6.882 1.00 0.00 C ATOM 859 CG LEU A 56 -6.012 -3.137 7.505 1.00 0.00 C ATOM 860 CD1 LEU A 56 -6.197 -3.782 8.870 1.00 0.00 C ATOM 861 CD2 LEU A 56 -6.076 -1.621 7.616 1.00 0.00 C ATOM 0 H LEU A 56 -4.991 -5.077 4.700 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.860 -2.173 5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.609 -4.658 6.960 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.873 -3.153 7.475 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.823 -3.468 6.856 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.146 -3.461 9.299 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.196 -4.867 8.763 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.382 -3.481 9.528 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.027 -1.329 8.061 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.258 -1.267 8.243 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.989 -1.180 6.623 1.00 0.00 H new ATOM 873 N ILE A 57 -2.460 -2.005 4.734 1.00 0.00 N ATOM 874 CA ILE A 57 -1.047 -1.865 4.403 1.00 0.00 C ATOM 875 C ILE A 57 -0.404 -0.740 5.206 1.00 0.00 C ATOM 876 O ILE A 57 -1.047 0.263 5.516 1.00 0.00 O ATOM 877 CB ILE A 57 -0.845 -1.591 2.901 1.00 0.00 C ATOM 878 CG1 ILE A 57 -1.512 -0.271 2.507 1.00 0.00 C ATOM 879 CG2 ILE A 57 -1.401 -2.739 2.073 1.00 0.00 C ATOM 880 CD1 ILE A 57 -0.843 0.419 1.340 1.00 0.00 C ATOM 0 H ILE A 57 -2.998 -1.141 4.661 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.567 -2.810 4.658 1.00 0.00 H new ATOM 0 HB ILE A 57 0.224 -1.510 2.702 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.556 -0.461 2.256 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.508 0.400 3.366 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.250 -2.530 1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.885 -3.662 2.338 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.467 -2.849 2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.369 1.347 1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.193 0.641 1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -0.871 -0.233 0.467 1.00 0.00 H new ATOM 892 N VAL A 58 0.872 -0.912 5.537 1.00 0.00 N ATOM 893 CA VAL A 58 1.605 0.091 6.301 1.00 0.00 C ATOM 894 C VAL A 58 2.109 1.211 5.397 1.00 0.00 C ATOM 895 O VAL A 58 2.515 0.969 4.261 1.00 0.00 O ATOM 896 CB VAL A 58 2.802 -0.533 7.043 1.00 0.00 C ATOM 897 CG1 VAL A 58 3.916 -0.876 6.065 1.00 0.00 C ATOM 898 CG2 VAL A 58 3.305 0.407 8.128 1.00 0.00 C ATOM 0 H VAL A 58 1.419 -1.736 5.288 1.00 0.00 H new ATOM 0 HA VAL A 58 0.909 0.503 7.031 1.00 0.00 H new ATOM 0 HB VAL A 58 2.471 -1.456 7.519 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.753 -1.316 6.607 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.546 -1.589 5.328 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.248 0.031 5.559 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.151 -0.050 8.642 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.620 1.348 7.677 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.505 0.597 8.844 1.00 0.00 H new ATOM 908 N GLU A 59 2.079 2.437 5.911 1.00 0.00 N ATOM 909 CA GLU A 59 2.533 3.594 5.148 1.00 0.00 C ATOM 910 C GLU A 59 4.052 3.593 5.011 1.00 0.00 C ATOM 911 O GLU A 59 4.620 4.399 4.273 1.00 0.00 O ATOM 912 CB GLU A 59 2.071 4.889 5.822 1.00 0.00 C ATOM 913 CG GLU A 59 2.838 5.221 7.091 1.00 0.00 C ATOM 914 CD GLU A 59 2.837 6.706 7.401 1.00 0.00 C ATOM 915 OE1 GLU A 59 1.879 7.176 8.048 1.00 0.00 O ATOM 916 OE2 GLU A 59 3.795 7.396 6.995 1.00 0.00 O ATOM 0 H GLU A 59 1.746 2.654 6.850 1.00 0.00 H new ATOM 0 HA GLU A 59 2.096 3.535 4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.177 5.714 5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.010 4.807 6.059 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.400 4.678 7.929 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.867 4.875 6.990 1.00 0.00 H new ATOM 923 N ASP A 60 4.705 2.684 5.726 1.00 0.00 N ATOM 924 CA ASP A 60 6.158 2.577 5.684 1.00 0.00 C ATOM 925 C ASP A 60 6.609 1.776 4.467 1.00 0.00 C ATOM 926 O ASP A 60 7.780 1.811 4.086 1.00 0.00 O ATOM 927 CB ASP A 60 6.680 1.921 6.964 1.00 0.00 C ATOM 928 CG ASP A 60 6.267 2.676 8.212 1.00 0.00 C ATOM 929 OD1 ASP A 60 6.479 3.906 8.258 1.00 0.00 O ATOM 930 OD2 ASP A 60 5.732 2.038 9.143 1.00 0.00 O ATOM 0 H ASP A 60 4.250 2.010 6.342 1.00 0.00 H new ATOM 0 HA ASP A 60 6.569 3.583 5.607 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.308 0.898 7.022 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.768 1.863 6.921 1.00 0.00 H new ATOM 935 N LEU A 61 5.674 1.054 3.860 1.00 0.00 N ATOM 936 CA LEU A 61 5.974 0.243 2.686 1.00 0.00 C ATOM 937 C LEU A 61 5.483 0.924 1.413 1.00 0.00 C ATOM 938 O LEU A 61 5.763 0.468 0.304 1.00 0.00 O ATOM 939 CB LEU A 61 5.333 -1.140 2.818 1.00 0.00 C ATOM 940 CG LEU A 61 6.120 -2.171 3.627 1.00 0.00 C ATOM 941 CD1 LEU A 61 5.262 -3.393 3.914 1.00 0.00 C ATOM 942 CD2 LEU A 61 7.390 -2.570 2.890 1.00 0.00 C ATOM 0 H LEU A 61 4.701 1.014 4.162 1.00 0.00 H new ATOM 0 HA LEU A 61 7.056 0.130 2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.351 -1.021 3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.171 -1.540 1.817 1.00 0.00 H new ATOM 0 HG LEU A 61 6.402 -1.720 4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.839 -4.116 4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.382 -3.094 4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.949 -3.847 2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.938 -3.304 3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.129 -3.002 1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.014 -1.689 2.737 1.00 0.00 H new ATOM 954 N VAL A 62 4.751 2.021 1.580 1.00 0.00 N ATOM 955 CA VAL A 62 4.223 2.768 0.444 1.00 0.00 C ATOM 956 C VAL A 62 4.681 4.222 0.482 1.00 0.00 C ATOM 957 O VAL A 62 5.075 4.731 1.531 1.00 0.00 O ATOM 958 CB VAL A 62 2.684 2.727 0.412 1.00 0.00 C ATOM 959 CG1 VAL A 62 2.195 1.349 -0.009 1.00 0.00 C ATOM 960 CG2 VAL A 62 2.112 3.113 1.767 1.00 0.00 C ATOM 0 H VAL A 62 4.510 2.412 2.491 1.00 0.00 H new ATOM 0 HA VAL A 62 4.611 2.291 -0.456 1.00 0.00 H new ATOM 0 HB VAL A 62 2.334 3.451 -0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.105 1.339 -0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.575 1.116 -1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.554 0.603 0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.023 3.079 1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.469 2.415 2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.433 4.122 2.023 1.00 0.00 H new ATOM 970 N GLU A 63 4.625 4.884 -0.669 1.00 0.00 N ATOM 971 CA GLU A 63 5.035 6.280 -0.766 1.00 0.00 C ATOM 972 C GLU A 63 3.919 7.134 -1.362 1.00 0.00 C ATOM 973 O GLU A 63 3.158 6.674 -2.212 1.00 0.00 O ATOM 974 CB GLU A 63 6.299 6.406 -1.620 1.00 0.00 C ATOM 975 CG GLU A 63 6.037 6.309 -3.113 1.00 0.00 C ATOM 976 CD GLU A 63 7.249 6.685 -3.944 1.00 0.00 C ATOM 977 OE1 GLU A 63 7.564 7.891 -4.019 1.00 0.00 O ATOM 978 OE2 GLU A 63 7.881 5.774 -4.518 1.00 0.00 O ATOM 0 H GLU A 63 4.300 4.477 -1.546 1.00 0.00 H new ATOM 0 HA GLU A 63 5.248 6.640 0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.779 7.361 -1.405 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.002 5.624 -1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.734 5.291 -3.359 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.205 6.962 -3.375 1.00 0.00 H new ATOM 985 N GLU A 64 3.829 8.380 -0.908 1.00 0.00 N ATOM 986 CA GLU A 64 2.806 9.298 -1.395 1.00 0.00 C ATOM 987 C GLU A 64 2.956 9.535 -2.895 1.00 0.00 C ATOM 988 O GLU A 64 4.062 9.742 -3.394 1.00 0.00 O ATOM 989 CB GLU A 64 2.886 10.630 -0.647 1.00 0.00 C ATOM 990 CG GLU A 64 4.150 11.420 -0.944 1.00 0.00 C ATOM 991 CD GLU A 64 4.216 12.726 -0.176 1.00 0.00 C ATOM 992 OE1 GLU A 64 3.340 13.588 -0.394 1.00 0.00 O ATOM 993 OE2 GLU A 64 5.145 12.884 0.644 1.00 0.00 O ATOM 0 H GLU A 64 4.452 8.777 -0.204 1.00 0.00 H new ATOM 0 HA GLU A 64 1.832 8.845 -1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.019 11.236 -0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.830 10.439 0.425 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.020 10.813 -0.696 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.201 11.628 -2.013 1.00 0.00 H new ATOM 1000 N VAL A 65 1.835 9.501 -3.609 1.00 0.00 N ATOM 1001 CA VAL A 65 1.841 9.712 -5.051 1.00 0.00 C ATOM 1002 C VAL A 65 0.454 10.094 -5.556 1.00 0.00 C ATOM 1003 O VAL A 65 -0.513 9.359 -5.361 1.00 0.00 O ATOM 1004 CB VAL A 65 2.320 8.454 -5.801 1.00 0.00 C ATOM 1005 CG1 VAL A 65 1.307 7.329 -5.656 1.00 0.00 C ATOM 1006 CG2 VAL A 65 2.571 8.771 -7.267 1.00 0.00 C ATOM 0 H VAL A 65 0.911 9.329 -3.212 1.00 0.00 H new ATOM 0 HA VAL A 65 2.535 10.529 -5.248 1.00 0.00 H new ATOM 0 HB VAL A 65 3.260 8.124 -5.359 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.662 6.449 -6.192 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.182 7.086 -4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.350 7.645 -6.071 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.909 7.871 -7.781 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.648 9.126 -7.726 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.336 9.543 -7.346 1.00 0.00 H new ATOM 1016 N SER A 66 0.365 11.250 -6.207 1.00 0.00 N ATOM 1017 CA SER A 66 -0.904 11.733 -6.738 1.00 0.00 C ATOM 1018 C SER A 66 -0.681 12.617 -7.961 1.00 0.00 C ATOM 1019 O SER A 66 -0.142 13.718 -7.854 1.00 0.00 O ATOM 1020 CB SER A 66 -1.668 12.511 -5.664 1.00 0.00 C ATOM 1021 OG SER A 66 -3.024 12.690 -6.032 1.00 0.00 O ATOM 0 H SER A 66 1.157 11.869 -6.379 1.00 0.00 H new ATOM 0 HA SER A 66 -1.495 10.868 -7.040 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.613 11.977 -4.715 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.198 13.483 -5.511 1.00 0.00 H new ATOM 0 HG SER A 66 -3.491 13.188 -5.329 1.00 0.00 H new ATOM 1027 N GLY A 67 -1.099 12.126 -9.123 1.00 0.00 N ATOM 1028 CA GLY A 67 -0.936 12.883 -10.350 1.00 0.00 C ATOM 1029 C GLY A 67 -0.575 12.004 -11.531 1.00 0.00 C ATOM 1030 O GLY A 67 -0.189 10.845 -11.374 1.00 0.00 O ATOM 0 H GLY A 67 -1.548 11.217 -9.237 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.860 13.418 -10.569 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.159 13.634 -10.209 1.00 0.00 H new ATOM 1034 N PRO A 68 -0.701 12.557 -12.746 1.00 0.00 N ATOM 1035 CA PRO A 68 -0.391 11.832 -13.982 1.00 0.00 C ATOM 1036 C PRO A 68 1.103 11.577 -14.145 1.00 0.00 C ATOM 1037 O PRO A 68 1.513 10.689 -14.892 1.00 0.00 O ATOM 1038 CB PRO A 68 -0.897 12.771 -15.080 1.00 0.00 C ATOM 1039 CG PRO A 68 -0.854 14.128 -14.468 1.00 0.00 C ATOM 1040 CD PRO A 68 -1.156 13.933 -13.008 1.00 0.00 C ATOM 0 HA PRO A 68 -0.851 10.844 -14.002 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.267 12.717 -15.968 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.908 12.509 -15.390 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.125 14.588 -14.606 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -1.585 14.789 -14.933 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -0.626 14.656 -12.388 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.219 14.051 -12.798 1.00 0.00 H new ATOM 1048 N SER A 69 1.913 12.362 -13.442 1.00 0.00 N ATOM 1049 CA SER A 69 3.363 12.224 -13.511 1.00 0.00 C ATOM 1050 C SER A 69 3.863 11.217 -12.479 1.00 0.00 C ATOM 1051 O SER A 69 4.058 11.554 -11.312 1.00 0.00 O ATOM 1052 CB SER A 69 4.037 13.578 -13.288 1.00 0.00 C ATOM 1053 OG SER A 69 3.957 14.386 -14.449 1.00 0.00 O ATOM 0 H SER A 69 1.589 13.101 -12.818 1.00 0.00 H new ATOM 0 HA SER A 69 3.621 11.858 -14.505 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.562 14.090 -12.451 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.082 13.427 -13.018 1.00 0.00 H new ATOM 0 HG SER A 69 4.394 15.247 -14.279 1.00 0.00 H new ATOM 1059 N SER A 70 4.067 9.980 -12.919 1.00 0.00 N ATOM 1060 CA SER A 70 4.540 8.922 -12.034 1.00 0.00 C ATOM 1061 C SER A 70 6.051 9.013 -11.838 1.00 0.00 C ATOM 1062 O SER A 70 6.718 9.849 -12.446 1.00 0.00 O ATOM 1063 CB SER A 70 4.170 7.550 -12.600 1.00 0.00 C ATOM 1064 OG SER A 70 4.956 7.238 -13.737 1.00 0.00 O ATOM 0 H SER A 70 3.912 9.685 -13.883 1.00 0.00 H new ATOM 0 HA SER A 70 4.056 9.050 -11.065 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.313 6.787 -11.835 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.114 7.537 -12.870 1.00 0.00 H new ATOM 0 HG SER A 70 4.701 6.356 -14.079 1.00 0.00 H new ATOM 1070 N GLY A 71 6.584 8.144 -10.984 1.00 0.00 N ATOM 1071 CA GLY A 71 8.011 8.142 -10.722 1.00 0.00 C ATOM 1072 C GLY A 71 8.387 9.025 -9.549 1.00 0.00 C ATOM 1073 O GLY A 71 8.841 10.154 -9.733 1.00 0.00 O ATOM 0 H GLY A 71 6.053 7.442 -10.469 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.339 7.122 -10.524 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.541 8.481 -11.612 1.00 0.00 H new TER 1077 GLY A 71