USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 664 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 15 THR OG1 : rot -112:sc= -2.29! USER MOD Set 1.2: A 18 GLN :FLIP amide:sc= -12.8! C(o=-19!,f=-15!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.144 USER MOD Single : A 3 HIS :FLIP no HD1:sc= -1.84! C(o=-3!,f=-1.8!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -168:sc= 0.231 (180deg=-0.647) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 157:sc= -0.0404 (180deg=-0.373) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 100:sc= 1.07 USER MOD Single : A 29 ASN : amide:sc= -0.819 K(o=-0.82,f=-1.8) USER MOD Single : A 30 LYS NZ :NH3+ -146:sc= -0.609 (180deg=-1.99!) USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.79 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 163:sc= -0.0723 (180deg=-0.693) USER MOD Single : A 41 SER OG : rot 170:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -27:sc= -4.86! USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 47 SER OG : rot 180:sc= -0.348 USER MOD Single : A 50 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.68) USER MOD Single : A 52 THR OG1 : rot -141:sc= -2.2 USER MOD Single : A 56 GLN : amide:sc= -0.0674 K(o=-0.067,f=-1) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.492 F(o=-3.9!,f=-0.49) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -1.01 X(o=-1,f=-0.52) USER MOD Single : A 68 LYS NZ :NH3+ -146:sc= -0.0327 (180deg=-0.467) USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= -1.42 (180deg=-1.99!) USER MOD Single : A 71 THR OG1 : rot -47:sc=-0.00262 USER MOD Single : A 72 THR OG1 : rot -40:sc= 0.893 USER MOD Single : A 73 SER OG : rot 55:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.987 0.634 10.855 1.00 0.00 N ATOM 2 CA MET A 1 -22.173 -0.083 10.311 1.00 0.00 C ATOM 3 C MET A 1 -23.321 -0.030 11.320 1.00 0.00 C ATOM 4 O MET A 1 -23.597 -0.998 12.000 1.00 0.00 O ATOM 5 CB MET A 1 -21.911 -1.115 10.120 1.00 0.00 C ATOM 0 H1 MET A 1 -20.210 0.594 10.164 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.236 1.627 11.039 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.685 0.182 11.742 1.00 0.00 H new ATOM 0 HA MET A 1 -22.488 0.395 9.384 1.00 0.00 H new ATOM 7 N SER A 2 -23.969 1.102 11.396 1.00 0.00 N ATOM 8 CA SER A 2 -25.095 1.229 12.353 1.00 0.00 C ATOM 9 C SER A 2 -26.101 2.271 11.886 1.00 0.00 C ATOM 10 O SER A 2 -26.638 2.178 10.801 1.00 0.00 O ATOM 11 CB SER A 2 -24.528 1.667 13.708 1.00 0.00 C ATOM 12 OG SER A 2 -25.637 1.582 14.590 1.00 0.00 O ATOM 0 H SER A 2 -23.767 1.934 10.841 1.00 0.00 H new ATOM 0 HA SER A 2 -25.603 0.268 12.427 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.713 1.018 14.028 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.130 2.681 13.665 1.00 0.00 H new ATOM 0 HG SER A 2 -25.359 1.847 15.492 1.00 0.00 H new ATOM 18 N HIS A 3 -26.339 3.248 12.717 1.00 0.00 N ATOM 19 CA HIS A 3 -27.308 4.303 12.339 1.00 0.00 C ATOM 20 C HIS A 3 -28.677 3.699 12.076 1.00 0.00 C ATOM 21 O HIS A 3 -28.827 2.495 12.031 1.00 0.00 O ATOM 22 CB HIS A 3 -26.814 4.983 11.054 1.00 0.00 C ATOM 23 CG HIS A 3 -25.288 5.058 11.075 1.00 0.00 C ATOM 24 ND1 HIS A 3 -24.416 4.967 12.141 1.00 0.00 N flip ATOM 25 CD2 HIS A 3 -24.568 5.220 10.068 1.00 0.00 C flip ATOM 26 CE1 HIS A 3 -23.139 5.087 11.683 1.00 0.00 C flip ATOM 27 NE2 HIS A 3 -23.340 5.242 10.374 1.00 0.00 N flip ATOM 0 H HIS A 3 -25.906 3.358 13.634 1.00 0.00 H new ATOM 0 HA HIS A 3 -27.389 5.023 13.154 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -27.150 4.423 10.181 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -27.237 5.984 10.973 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -24.946 5.328 9.062 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -22.210 5.063 12.234 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -22.588 5.365 9.695 1.00 0.00 H new ATOM 35 N MET A 4 -29.650 4.542 11.908 1.00 0.00 N ATOM 36 CA MET A 4 -31.016 4.032 11.646 1.00 0.00 C ATOM 37 C MET A 4 -31.041 3.187 10.377 1.00 0.00 C ATOM 38 O MET A 4 -30.014 2.933 9.778 1.00 0.00 O ATOM 39 CB MET A 4 -31.951 5.236 11.455 1.00 0.00 C ATOM 40 CG MET A 4 -31.805 6.181 12.650 1.00 0.00 C ATOM 41 SD MET A 4 -33.298 7.027 13.225 1.00 0.00 S ATOM 42 CE MET A 4 -33.418 8.221 11.869 1.00 0.00 C ATOM 0 H MET A 4 -29.559 5.557 11.941 1.00 0.00 H new ATOM 0 HA MET A 4 -31.336 3.414 12.485 1.00 0.00 H new ATOM 0 HB2 MET A 4 -31.706 5.759 10.531 1.00 0.00 H new ATOM 0 HB3 MET A 4 -32.984 4.899 11.367 1.00 0.00 H new ATOM 0 HG2 MET A 4 -31.398 5.610 13.484 1.00 0.00 H new ATOM 0 HG3 MET A 4 -31.065 6.939 12.392 1.00 0.00 H new ATOM 0 HE1 MET A 4 -34.288 8.860 12.022 1.00 0.00 H new ATOM 0 HE2 MET A 4 -32.517 8.834 11.844 1.00 0.00 H new ATOM 0 HE3 MET A 4 -33.521 7.689 10.923 1.00 0.00 H new ATOM 52 N LEU A 5 -32.214 2.761 9.992 1.00 0.00 N ATOM 53 CA LEU A 5 -32.316 1.934 8.767 1.00 0.00 C ATOM 54 C LEU A 5 -32.400 2.819 7.527 1.00 0.00 C ATOM 55 O LEU A 5 -32.445 4.028 7.629 1.00 0.00 O ATOM 56 CB LEU A 5 -33.586 1.046 8.845 1.00 0.00 C ATOM 57 CG LEU A 5 -34.711 1.762 9.621 1.00 0.00 C ATOM 58 CD1 LEU A 5 -34.376 1.773 11.115 1.00 0.00 C ATOM 59 CD2 LEU A 5 -34.863 3.203 9.116 1.00 0.00 C ATOM 0 H LEU A 5 -33.095 2.950 10.471 1.00 0.00 H new ATOM 0 HA LEU A 5 -31.426 1.308 8.696 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -33.929 0.805 7.839 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -33.345 0.102 9.334 1.00 0.00 H new ATOM 0 HG LEU A 5 -35.649 1.229 9.462 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -35.171 2.279 11.662 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -34.283 0.748 11.475 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -33.435 2.300 11.273 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -35.659 3.700 9.670 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -33.927 3.741 9.265 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -35.111 3.192 8.055 1.00 0.00 H new ATOM 71 N GLU A 6 -32.416 2.197 6.379 1.00 0.00 N ATOM 72 CA GLU A 6 -32.495 2.986 5.122 1.00 0.00 C ATOM 73 C GLU A 6 -31.191 3.739 4.881 1.00 0.00 C ATOM 74 O GLU A 6 -30.594 4.258 5.804 1.00 0.00 O ATOM 75 CB GLU A 6 -33.640 4.003 5.251 1.00 0.00 C ATOM 76 CG GLU A 6 -34.291 4.204 3.883 1.00 0.00 C ATOM 77 CD GLU A 6 -35.123 2.966 3.532 1.00 0.00 C ATOM 78 OE1 GLU A 6 -34.996 2.001 4.267 1.00 0.00 O ATOM 79 OE2 GLU A 6 -35.838 3.057 2.547 1.00 0.00 O ATOM 0 H GLU A 6 -32.378 1.185 6.260 1.00 0.00 H new ATOM 0 HA GLU A 6 -32.672 2.309 4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -34.379 3.648 5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -33.259 4.952 5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -34.925 5.091 3.896 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -33.526 4.370 3.124 1.00 0.00 H new ATOM 86 N GLY A 7 -30.771 3.787 3.642 1.00 0.00 N ATOM 87 CA GLY A 7 -29.502 4.507 3.325 1.00 0.00 C ATOM 88 C GLY A 7 -29.608 5.217 1.973 1.00 0.00 C ATOM 89 O GLY A 7 -29.248 6.371 1.848 1.00 0.00 O ATOM 0 H GLY A 7 -31.246 3.364 2.845 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -29.285 5.234 4.108 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -28.672 3.801 3.307 1.00 0.00 H new ATOM 93 N ARG A 8 -30.100 4.514 0.989 1.00 0.00 N ATOM 94 CA ARG A 8 -30.233 5.136 -0.350 1.00 0.00 C ATOM 95 C ARG A 8 -28.949 5.858 -0.735 1.00 0.00 C ATOM 96 O ARG A 8 -28.843 7.061 -0.597 1.00 0.00 O ATOM 97 CB ARG A 8 -31.380 6.157 -0.295 1.00 0.00 C ATOM 98 CG ARG A 8 -31.759 6.562 -1.720 1.00 0.00 C ATOM 99 CD ARG A 8 -32.617 7.827 -1.670 1.00 0.00 C ATOM 100 NE ARG A 8 -31.768 9.000 -2.014 1.00 0.00 N ATOM 101 CZ ARG A 8 -32.249 10.204 -1.859 1.00 0.00 C ATOM 102 NH1 ARG A 8 -33.350 10.528 -2.479 1.00 0.00 N ATOM 103 NH2 ARG A 8 -31.610 11.044 -1.091 1.00 0.00 N ATOM 0 H ARG A 8 -30.412 3.545 1.057 1.00 0.00 H new ATOM 0 HA ARG A 8 -30.434 4.361 -1.090 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -32.242 5.727 0.215 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -31.076 7.034 0.277 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -30.861 6.740 -2.312 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -32.307 5.755 -2.207 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -33.449 7.746 -2.370 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -33.047 7.952 -0.676 1.00 0.00 H new ATOM 0 HE ARG A 8 -30.821 8.865 -2.367 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -33.821 9.845 -3.073 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -33.740 11.464 -2.370 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -30.750 10.756 -0.624 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -31.970 11.989 -0.958 1.00 0.00 H new ATOM 117 N LYS A 9 -27.992 5.109 -1.213 1.00 0.00 N ATOM 118 CA LYS A 9 -26.706 5.733 -1.613 1.00 0.00 C ATOM 119 C LYS A 9 -25.938 4.826 -2.567 1.00 0.00 C ATOM 120 O LYS A 9 -26.363 3.725 -2.856 1.00 0.00 O ATOM 121 CB LYS A 9 -25.862 5.942 -0.347 1.00 0.00 C ATOM 122 CG LYS A 9 -25.662 4.593 0.349 1.00 0.00 C ATOM 123 CD LYS A 9 -24.325 3.989 -0.094 1.00 0.00 C ATOM 124 CE LYS A 9 -24.464 2.468 -0.173 1.00 0.00 C ATOM 125 NZ LYS A 9 -25.006 2.062 -1.500 1.00 0.00 N ATOM 0 H LYS A 9 -28.048 4.099 -1.342 1.00 0.00 H new ATOM 0 HA LYS A 9 -26.907 6.679 -2.116 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -24.897 6.378 -0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -26.359 6.642 0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -25.675 4.723 1.431 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -26.480 3.917 0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -24.034 4.391 -1.065 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -23.539 4.259 0.611 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -23.493 1.999 -0.011 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -25.124 2.116 0.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -25.285 1.061 -1.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -25.836 2.646 -1.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -24.276 2.196 -2.229 1.00 0.00 H new ATOM 139 N LYS A 10 -24.820 5.306 -3.042 1.00 0.00 N ATOM 140 CA LYS A 10 -24.016 4.481 -3.978 1.00 0.00 C ATOM 141 C LYS A 10 -22.527 4.789 -3.839 1.00 0.00 C ATOM 142 O LYS A 10 -21.874 4.309 -2.933 1.00 0.00 O ATOM 143 CB LYS A 10 -24.457 4.803 -5.413 1.00 0.00 C ATOM 144 CG LYS A 10 -24.854 6.278 -5.501 1.00 0.00 C ATOM 145 CD LYS A 10 -25.101 6.639 -6.967 1.00 0.00 C ATOM 146 CE LYS A 10 -25.364 8.142 -7.077 1.00 0.00 C ATOM 147 NZ LYS A 10 -24.870 8.660 -8.383 1.00 0.00 N ATOM 0 H LYS A 10 -24.435 6.225 -2.823 1.00 0.00 H new ATOM 0 HA LYS A 10 -24.175 3.428 -3.746 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -23.647 4.590 -6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -25.298 4.171 -5.698 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -25.752 6.462 -4.911 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -24.066 6.906 -5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -24.237 6.363 -7.572 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -25.953 6.079 -7.353 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -26.432 8.339 -6.981 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -24.868 8.665 -6.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -25.055 9.682 -8.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -23.847 8.488 -8.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -25.362 8.172 -9.159 1.00 0.00 H new ATOM 161 N ARG A 11 -22.017 5.586 -4.741 1.00 0.00 N ATOM 162 CA ARG A 11 -20.573 5.936 -4.677 1.00 0.00 C ATOM 163 C ARG A 11 -20.282 6.839 -3.482 1.00 0.00 C ATOM 164 O ARG A 11 -20.966 7.820 -3.267 1.00 0.00 O ATOM 165 CB ARG A 11 -20.206 6.687 -5.965 1.00 0.00 C ATOM 166 CG ARG A 11 -20.377 5.747 -7.162 1.00 0.00 C ATOM 167 CD ARG A 11 -20.255 6.553 -8.458 1.00 0.00 C ATOM 168 NE ARG A 11 -19.778 5.653 -9.546 1.00 0.00 N ATOM 169 CZ ARG A 11 -18.536 5.253 -9.547 1.00 0.00 C ATOM 170 NH1 ARG A 11 -17.633 6.000 -10.120 1.00 0.00 N ATOM 171 NH2 ARG A 11 -18.239 4.117 -8.976 1.00 0.00 N ATOM 0 H ARG A 11 -22.536 6.006 -5.513 1.00 0.00 H new ATOM 0 HA ARG A 11 -19.988 5.022 -4.570 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -20.842 7.564 -6.082 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -19.177 7.044 -5.912 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -19.620 4.963 -7.135 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -21.348 5.254 -7.116 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -21.219 6.987 -8.724 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -19.559 7.381 -8.322 1.00 0.00 H new ATOM 0 HE ARG A 11 -20.416 5.353 -10.283 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -17.903 6.881 -10.558 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.657 5.703 -10.130 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -18.972 3.559 -8.539 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -17.274 3.788 -8.967 1.00 0.00 H new ATOM 185 N VAL A 12 -19.264 6.489 -2.726 1.00 0.00 N ATOM 186 CA VAL A 12 -18.908 7.313 -1.536 1.00 0.00 C ATOM 187 C VAL A 12 -17.649 8.162 -1.809 1.00 0.00 C ATOM 188 O VAL A 12 -16.786 7.765 -2.568 1.00 0.00 O ATOM 189 CB VAL A 12 -18.610 6.356 -0.371 1.00 0.00 C ATOM 190 CG1 VAL A 12 -19.794 5.403 -0.192 1.00 0.00 C ATOM 191 CG2 VAL A 12 -17.351 5.547 -0.690 1.00 0.00 C ATOM 0 H VAL A 12 -18.672 5.674 -2.885 1.00 0.00 H new ATOM 0 HA VAL A 12 -19.735 7.984 -1.303 1.00 0.00 H new ATOM 0 HB VAL A 12 -18.454 6.926 0.545 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -19.590 4.720 0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -20.694 5.978 0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -19.942 4.831 -1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -17.137 4.867 0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -17.509 4.972 -1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -16.509 6.225 -0.830 1.00 0.00 H new ATOM 201 N PRO A 13 -17.577 9.331 -1.177 1.00 0.00 N ATOM 202 CA PRO A 13 -16.431 10.231 -1.350 1.00 0.00 C ATOM 203 C PRO A 13 -15.127 9.578 -0.892 1.00 0.00 C ATOM 204 O PRO A 13 -15.002 8.370 -0.887 1.00 0.00 O ATOM 205 CB PRO A 13 -16.735 11.439 -0.436 1.00 0.00 C ATOM 206 CG PRO A 13 -18.087 11.149 0.285 1.00 0.00 C ATOM 207 CD PRO A 13 -18.627 9.822 -0.272 1.00 0.00 C ATOM 0 HA PRO A 13 -16.301 10.500 -2.398 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -15.935 11.581 0.291 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -16.801 12.356 -1.021 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -17.941 11.082 1.363 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -18.797 11.957 0.109 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -18.822 9.109 0.529 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -19.567 9.971 -0.803 1.00 0.00 H new ATOM 215 N TYR A 14 -14.180 10.402 -0.514 1.00 0.00 N ATOM 216 CA TYR A 14 -12.874 9.864 -0.051 1.00 0.00 C ATOM 217 C TYR A 14 -12.823 9.823 1.470 1.00 0.00 C ATOM 218 O TYR A 14 -12.956 8.772 2.067 1.00 0.00 O ATOM 219 CB TYR A 14 -11.760 10.790 -0.564 1.00 0.00 C ATOM 220 CG TYR A 14 -10.705 9.953 -1.285 1.00 0.00 C ATOM 221 CD1 TYR A 14 -10.903 9.558 -2.591 1.00 0.00 C ATOM 222 CD2 TYR A 14 -9.545 9.576 -0.640 1.00 0.00 C ATOM 223 CE1 TYR A 14 -9.956 8.797 -3.244 1.00 0.00 C ATOM 224 CE2 TYR A 14 -8.597 8.814 -1.293 1.00 0.00 C ATOM 225 CZ TYR A 14 -8.796 8.419 -2.600 1.00 0.00 C ATOM 226 OH TYR A 14 -7.851 7.654 -3.252 1.00 0.00 O ATOM 0 H TYR A 14 -14.259 11.419 -0.508 1.00 0.00 H new ATOM 0 HA TYR A 14 -12.744 8.851 -0.433 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.174 11.537 -1.241 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -11.307 11.330 0.268 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.807 9.847 -3.107 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.377 9.879 0.383 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -10.124 8.495 -4.267 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.693 8.525 -0.777 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.098 7.481 -2.650 1.00 0.00 H new ATOM 236 N THR A 15 -12.624 10.972 2.070 1.00 0.00 N ATOM 237 CA THR A 15 -12.560 11.030 3.552 1.00 0.00 C ATOM 238 C THR A 15 -13.350 12.226 4.064 1.00 0.00 C ATOM 239 O THR A 15 -13.631 13.148 3.324 1.00 0.00 O ATOM 240 CB THR A 15 -11.096 11.183 3.970 1.00 0.00 C ATOM 241 OG1 THR A 15 -10.345 10.953 2.797 1.00 0.00 O ATOM 242 CG2 THR A 15 -10.677 10.054 4.924 1.00 0.00 C ATOM 0 H THR A 15 -12.504 11.866 1.594 1.00 0.00 H new ATOM 0 HA THR A 15 -12.985 10.118 3.971 1.00 0.00 H new ATOM 0 HB THR A 15 -10.948 12.155 4.441 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.843 10.117 2.889 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.632 10.185 5.206 1.00 0.00 H new ATOM 0 HG22 THR A 15 -11.301 10.082 5.817 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.800 9.092 4.426 1.00 0.00 H new ATOM 250 N LYS A 16 -13.697 12.193 5.316 1.00 0.00 N ATOM 251 CA LYS A 16 -14.471 13.324 5.881 1.00 0.00 C ATOM 252 C LYS A 16 -13.596 14.559 6.070 1.00 0.00 C ATOM 253 O LYS A 16 -14.069 15.669 5.969 1.00 0.00 O ATOM 254 CB LYS A 16 -15.021 12.898 7.249 1.00 0.00 C ATOM 255 CG LYS A 16 -13.944 12.108 7.996 1.00 0.00 C ATOM 256 CD LYS A 16 -14.216 12.184 9.500 1.00 0.00 C ATOM 257 CE LYS A 16 -15.401 11.280 9.842 1.00 0.00 C ATOM 258 NZ LYS A 16 -15.016 9.846 9.726 1.00 0.00 N ATOM 0 H LYS A 16 -13.480 11.438 5.967 1.00 0.00 H new ATOM 0 HA LYS A 16 -15.275 13.576 5.190 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.313 13.775 7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.915 12.288 7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.944 11.069 7.666 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.957 12.514 7.772 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.333 11.873 10.058 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -14.431 13.212 9.791 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -15.745 11.489 10.855 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -16.234 11.494 9.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.654 9.267 10.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -15.087 9.547 8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.037 9.722 10.056 1.00 0.00 H new ATOM 272 N VAL A 17 -12.329 14.349 6.309 1.00 0.00 N ATOM 273 CA VAL A 17 -11.431 15.514 6.502 1.00 0.00 C ATOM 274 C VAL A 17 -10.953 15.977 5.161 1.00 0.00 C ATOM 275 O VAL A 17 -10.409 17.053 5.008 1.00 0.00 O ATOM 276 CB VAL A 17 -10.223 15.083 7.352 1.00 0.00 C ATOM 277 CG1 VAL A 17 -10.567 15.245 8.833 1.00 0.00 C ATOM 278 CG2 VAL A 17 -9.900 13.617 7.069 1.00 0.00 C ATOM 0 H VAL A 17 -11.886 13.433 6.377 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.963 16.320 7.007 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.361 15.702 7.103 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.714 14.941 9.440 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.805 16.288 9.039 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.427 14.621 9.077 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.044 13.310 7.671 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.762 12.999 7.322 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.663 13.494 6.012 1.00 0.00 H new ATOM 288 N GLN A 18 -11.180 15.141 4.210 1.00 0.00 N ATOM 289 CA GLN A 18 -10.777 15.444 2.841 1.00 0.00 C ATOM 290 C GLN A 18 -11.810 16.340 2.185 1.00 0.00 C ATOM 291 O GLN A 18 -11.483 17.385 1.659 1.00 0.00 O ATOM 292 CB GLN A 18 -10.716 14.111 2.105 1.00 0.00 C ATOM 293 CG GLN A 18 -9.267 13.624 2.087 1.00 0.00 C ATOM 294 CD GLN A 18 -8.852 13.226 3.505 1.00 0.00 C ATOM 295 OE1 GLN A 18 -8.950 14.108 4.463 1.00 0.00 O flip ATOM 296 NE2 GLN A 18 -8.434 12.112 3.753 1.00 0.00 N flip ATOM 0 H GLN A 18 -11.640 14.239 4.332 1.00 0.00 H new ATOM 0 HA GLN A 18 -9.817 15.959 2.817 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.354 13.378 2.598 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -11.089 14.225 1.087 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.165 12.773 1.413 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.612 14.409 1.710 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.355 11.419 3.008 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -8.162 11.870 4.706 1.00 0.00 H new ATOM 305 N LEU A 19 -13.048 15.924 2.240 1.00 0.00 N ATOM 306 CA LEU A 19 -14.114 16.745 1.624 1.00 0.00 C ATOM 307 C LEU A 19 -14.452 17.920 2.513 1.00 0.00 C ATOM 308 O LEU A 19 -15.067 18.873 2.080 1.00 0.00 O ATOM 309 CB LEU A 19 -15.367 15.878 1.448 1.00 0.00 C ATOM 310 CG LEU A 19 -15.425 15.381 0.006 1.00 0.00 C ATOM 311 CD1 LEU A 19 -15.504 16.584 -0.940 1.00 0.00 C ATOM 312 CD2 LEU A 19 -14.157 14.583 -0.295 1.00 0.00 C ATOM 0 H LEU A 19 -13.359 15.059 2.682 1.00 0.00 H new ATOM 0 HA LEU A 19 -13.767 17.117 0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -15.341 15.034 2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -16.261 16.455 1.684 1.00 0.00 H new ATOM 0 HG LEU A 19 -16.302 14.749 -0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -15.546 16.234 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -16.400 17.164 -0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -14.623 17.211 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -14.189 14.223 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.284 15.222 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.092 13.733 0.385 1.00 0.00 H new ATOM 324 N LYS A 20 -14.049 17.835 3.747 1.00 0.00 N ATOM 325 CA LYS A 20 -14.338 18.939 4.672 1.00 0.00 C ATOM 326 C LYS A 20 -13.332 20.049 4.474 1.00 0.00 C ATOM 327 O LYS A 20 -13.681 21.209 4.464 1.00 0.00 O ATOM 328 CB LYS A 20 -14.225 18.418 6.108 1.00 0.00 C ATOM 329 CG LYS A 20 -14.240 19.598 7.079 1.00 0.00 C ATOM 330 CD LYS A 20 -14.380 19.062 8.507 1.00 0.00 C ATOM 331 CE LYS A 20 -15.038 20.129 9.388 1.00 0.00 C ATOM 332 NZ LYS A 20 -15.573 19.517 10.635 1.00 0.00 N ATOM 0 H LYS A 20 -13.535 17.049 4.145 1.00 0.00 H new ATOM 0 HA LYS A 20 -15.341 19.322 4.483 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.051 17.742 6.327 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.305 17.846 6.228 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.322 20.178 6.982 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.067 20.269 6.845 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.980 18.152 8.509 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.401 18.798 8.906 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.311 20.902 9.638 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.845 20.615 8.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.016 20.253 11.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.282 18.796 10.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.796 19.073 11.165 1.00 0.00 H new ATOM 346 N GLU A 21 -12.088 19.677 4.297 1.00 0.00 N ATOM 347 CA GLU A 21 -11.065 20.717 4.099 1.00 0.00 C ATOM 348 C GLU A 21 -11.153 21.280 2.697 1.00 0.00 C ATOM 349 O GLU A 21 -10.721 22.384 2.438 1.00 0.00 O ATOM 350 CB GLU A 21 -9.679 20.097 4.315 1.00 0.00 C ATOM 351 CG GLU A 21 -9.336 20.177 5.803 1.00 0.00 C ATOM 352 CD GLU A 21 -7.997 19.490 6.060 1.00 0.00 C ATOM 353 OE1 GLU A 21 -7.278 19.318 5.088 1.00 0.00 O ATOM 354 OE2 GLU A 21 -7.766 19.176 7.215 1.00 0.00 O ATOM 0 H GLU A 21 -11.753 18.714 4.283 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.230 21.525 4.811 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.672 19.060 3.980 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.931 20.627 3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.288 21.219 6.119 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.119 19.701 6.393 1.00 0.00 H new ATOM 361 N LEU A 22 -11.720 20.509 1.812 1.00 0.00 N ATOM 362 CA LEU A 22 -11.849 20.981 0.418 1.00 0.00 C ATOM 363 C LEU A 22 -12.945 22.035 0.312 1.00 0.00 C ATOM 364 O LEU A 22 -12.721 23.127 -0.166 1.00 0.00 O ATOM 365 CB LEU A 22 -12.243 19.780 -0.467 1.00 0.00 C ATOM 366 CG LEU A 22 -11.120 19.474 -1.463 1.00 0.00 C ATOM 367 CD1 LEU A 22 -11.003 20.625 -2.474 1.00 0.00 C ATOM 368 CD2 LEU A 22 -9.795 19.315 -0.707 1.00 0.00 C ATOM 0 H LEU A 22 -12.096 19.579 1.998 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.902 21.415 0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.436 18.907 0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.166 20.000 -1.003 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.346 18.549 -1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.204 20.407 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.945 20.734 -3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.777 21.551 -1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.996 19.097 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.567 20.238 -0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.880 18.496 0.007 1.00 0.00 H new ATOM 380 N GLU A 23 -14.110 21.685 0.782 1.00 0.00 N ATOM 381 CA GLU A 23 -15.247 22.642 0.723 1.00 0.00 C ATOM 382 C GLU A 23 -15.057 23.806 1.685 1.00 0.00 C ATOM 383 O GLU A 23 -15.729 24.813 1.581 1.00 0.00 O ATOM 384 CB GLU A 23 -16.528 21.889 1.121 1.00 0.00 C ATOM 385 CG GLU A 23 -16.831 20.811 0.077 1.00 0.00 C ATOM 386 CD GLU A 23 -18.188 20.173 0.389 1.00 0.00 C ATOM 387 OE1 GLU A 23 -18.216 19.388 1.324 1.00 0.00 O ATOM 388 OE2 GLU A 23 -19.120 20.505 -0.325 1.00 0.00 O ATOM 0 H GLU A 23 -14.322 20.780 1.203 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.309 23.042 -0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -16.405 21.434 2.104 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -17.364 22.585 1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -16.843 21.248 -0.921 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.049 20.052 0.084 1.00 0.00 H new ATOM 395 N ARG A 24 -14.150 23.657 2.603 1.00 0.00 N ATOM 396 CA ARG A 24 -13.918 24.756 3.573 1.00 0.00 C ATOM 397 C ARG A 24 -13.014 25.818 2.981 1.00 0.00 C ATOM 398 O ARG A 24 -13.346 26.987 2.967 1.00 0.00 O ATOM 399 CB ARG A 24 -13.236 24.168 4.817 1.00 0.00 C ATOM 400 CG ARG A 24 -14.299 23.762 5.858 1.00 0.00 C ATOM 401 CD ARG A 24 -15.564 23.234 5.158 1.00 0.00 C ATOM 402 NE ARG A 24 -16.549 24.342 5.022 1.00 0.00 N ATOM 403 CZ ARG A 24 -17.699 24.105 4.452 1.00 0.00 C ATOM 404 NH1 ARG A 24 -18.034 22.869 4.198 1.00 0.00 N ATOM 405 NH2 ARG A 24 -18.474 25.110 4.151 1.00 0.00 N ATOM 0 H ARG A 24 -13.564 22.831 2.724 1.00 0.00 H new ATOM 0 HA ARG A 24 -14.875 25.213 3.826 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.638 23.300 4.538 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.554 24.900 5.248 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.895 22.995 6.519 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -14.552 24.619 6.482 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -15.310 22.835 4.176 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -15.997 22.415 5.733 1.00 0.00 H new ATOM 0 HE ARG A 24 -16.328 25.275 5.370 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -17.401 22.108 4.445 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -18.929 22.664 3.753 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -18.178 26.063 4.361 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -19.376 24.943 3.705 1.00 0.00 H new ATOM 419 N GLU A 25 -11.887 25.395 2.504 1.00 0.00 N ATOM 420 CA GLU A 25 -10.946 26.359 1.909 1.00 0.00 C ATOM 421 C GLU A 25 -11.521 26.931 0.623 1.00 0.00 C ATOM 422 O GLU A 25 -11.102 27.973 0.160 1.00 0.00 O ATOM 423 CB GLU A 25 -9.629 25.623 1.584 1.00 0.00 C ATOM 424 CG GLU A 25 -9.231 24.718 2.766 1.00 0.00 C ATOM 425 CD GLU A 25 -8.218 25.453 3.648 1.00 0.00 C ATOM 426 OE1 GLU A 25 -8.679 26.208 4.488 1.00 0.00 O ATOM 427 OE2 GLU A 25 -7.041 25.217 3.431 1.00 0.00 O ATOM 0 H GLU A 25 -11.579 24.423 2.502 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.769 27.173 2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.749 25.025 0.681 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.838 26.346 1.385 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.113 24.453 3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.801 23.787 2.397 1.00 0.00 H new ATOM 434 N TYR A 26 -12.483 26.237 0.069 1.00 0.00 N ATOM 435 CA TYR A 26 -13.101 26.727 -1.190 1.00 0.00 C ATOM 436 C TYR A 26 -14.292 27.621 -0.882 1.00 0.00 C ATOM 437 O TYR A 26 -14.606 28.522 -1.632 1.00 0.00 O ATOM 438 CB TYR A 26 -13.585 25.517 -2.004 1.00 0.00 C ATOM 439 CG TYR A 26 -13.659 25.895 -3.485 1.00 0.00 C ATOM 440 CD1 TYR A 26 -14.692 26.677 -3.960 1.00 0.00 C ATOM 441 CD2 TYR A 26 -12.696 25.449 -4.371 1.00 0.00 C ATOM 442 CE1 TYR A 26 -14.765 27.008 -5.299 1.00 0.00 C ATOM 443 CE2 TYR A 26 -12.769 25.780 -5.709 1.00 0.00 C ATOM 444 CZ TYR A 26 -13.803 26.563 -6.184 1.00 0.00 C ATOM 445 OH TYR A 26 -13.875 26.893 -7.523 1.00 0.00 O ATOM 0 H TYR A 26 -12.861 25.362 0.433 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.363 27.299 -1.752 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -12.905 24.677 -1.866 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -14.565 25.196 -1.650 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -15.450 27.033 -3.279 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.881 24.837 -4.014 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -15.580 27.619 -5.656 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.011 25.424 -6.391 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.116 26.496 -7.999 1.00 0.00 H new ATOM 455 N ALA A 27 -14.939 27.349 0.221 1.00 0.00 N ATOM 456 CA ALA A 27 -16.111 28.169 0.597 1.00 0.00 C ATOM 457 C ALA A 27 -15.677 29.380 1.416 1.00 0.00 C ATOM 458 O ALA A 27 -16.452 30.286 1.651 1.00 0.00 O ATOM 459 CB ALA A 27 -17.060 27.306 1.445 1.00 0.00 C ATOM 0 H ALA A 27 -14.703 26.598 0.869 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.610 28.518 -0.307 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.931 27.896 1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.382 26.442 0.864 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.541 26.968 2.342 1.00 0.00 H new ATOM 465 N THR A 28 -14.437 29.373 1.838 1.00 0.00 N ATOM 466 CA THR A 28 -13.934 30.511 2.638 1.00 0.00 C ATOM 467 C THR A 28 -13.669 31.703 1.735 1.00 0.00 C ATOM 468 O THR A 28 -13.987 32.828 2.071 1.00 0.00 O ATOM 469 CB THR A 28 -12.622 30.087 3.309 1.00 0.00 C ATOM 470 OG1 THR A 28 -12.981 29.064 4.217 1.00 0.00 O ATOM 471 CG2 THR A 28 -12.072 31.210 4.196 1.00 0.00 C ATOM 0 H THR A 28 -13.762 28.630 1.660 1.00 0.00 H new ATOM 0 HA THR A 28 -14.675 30.791 3.387 1.00 0.00 H new ATOM 0 HB THR A 28 -11.893 29.809 2.548 1.00 0.00 H new ATOM 0 HG1 THR A 28 -12.777 28.190 3.823 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.141 30.884 4.660 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.884 32.095 3.588 1.00 0.00 H new ATOM 0 HG23 THR A 28 -12.799 31.451 4.971 1.00 0.00 H new ATOM 479 N ASN A 29 -13.087 31.433 0.596 1.00 0.00 N ATOM 480 CA ASN A 29 -12.788 32.537 -0.353 1.00 0.00 C ATOM 481 C ASN A 29 -12.940 32.062 -1.795 1.00 0.00 C ATOM 482 O ASN A 29 -13.879 32.421 -2.477 1.00 0.00 O ATOM 483 CB ASN A 29 -11.336 32.996 -0.142 1.00 0.00 C ATOM 484 CG ASN A 29 -11.201 33.653 1.232 1.00 0.00 C ATOM 485 OD1 ASN A 29 -12.007 34.473 1.622 1.00 0.00 O ATOM 486 ND2 ASN A 29 -10.193 33.326 1.992 1.00 0.00 N ATOM 0 H ASN A 29 -12.809 30.502 0.286 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.485 33.355 -0.170 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -10.660 32.144 -0.217 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.049 33.700 -0.923 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.085 33.759 2.909 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -9.513 32.638 1.669 1.00 0.00 H new ATOM 493 N LYS A 30 -12.008 31.257 -2.227 1.00 0.00 N ATOM 494 CA LYS A 30 -12.063 30.738 -3.616 1.00 0.00 C ATOM 495 C LYS A 30 -10.946 29.737 -3.810 1.00 0.00 C ATOM 496 O LYS A 30 -11.148 28.658 -4.328 1.00 0.00 O ATOM 497 CB LYS A 30 -11.870 31.919 -4.597 1.00 0.00 C ATOM 498 CG LYS A 30 -12.591 31.624 -5.927 1.00 0.00 C ATOM 499 CD LYS A 30 -13.210 32.919 -6.459 1.00 0.00 C ATOM 500 CE LYS A 30 -12.095 33.851 -6.941 1.00 0.00 C ATOM 501 NZ LYS A 30 -11.575 34.671 -5.811 1.00 0.00 N ATOM 0 H LYS A 30 -11.212 30.938 -1.675 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.023 30.257 -3.801 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.262 32.836 -4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.808 32.082 -4.778 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.888 31.217 -6.654 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.365 30.871 -5.776 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.895 32.699 -7.278 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.793 33.405 -5.677 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.285 33.265 -7.375 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.473 34.504 -7.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.300 35.611 -6.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.315 34.775 -5.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.747 34.201 -5.393 1.00 0.00 H new ATOM 515 N PHE A 31 -9.777 30.121 -3.384 1.00 0.00 N ATOM 516 CA PHE A 31 -8.624 29.228 -3.517 1.00 0.00 C ATOM 517 C PHE A 31 -7.647 29.499 -2.404 1.00 0.00 C ATOM 518 O PHE A 31 -7.678 30.554 -1.796 1.00 0.00 O ATOM 519 CB PHE A 31 -7.934 29.439 -4.872 1.00 0.00 C ATOM 520 CG PHE A 31 -7.574 28.057 -5.410 1.00 0.00 C ATOM 521 CD1 PHE A 31 -6.550 27.332 -4.830 1.00 0.00 C ATOM 522 CD2 PHE A 31 -8.334 27.468 -6.401 1.00 0.00 C ATOM 523 CE1 PHE A 31 -6.299 26.041 -5.222 1.00 0.00 C ATOM 524 CE2 PHE A 31 -8.076 26.173 -6.793 1.00 0.00 C ATOM 525 CZ PHE A 31 -7.060 25.460 -6.197 1.00 0.00 C ATOM 0 H PHE A 31 -9.582 31.023 -2.949 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.970 28.196 -3.458 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.594 29.962 -5.564 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.041 30.053 -4.758 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.942 27.786 -4.061 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.132 28.024 -6.870 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.498 25.483 -4.759 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.672 25.716 -7.569 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.865 24.442 -6.500 1.00 0.00 H new ATOM 535 N ILE A 32 -6.797 28.547 -2.154 1.00 0.00 N ATOM 536 CA ILE A 32 -5.802 28.711 -1.081 1.00 0.00 C ATOM 537 C ILE A 32 -4.386 28.856 -1.645 1.00 0.00 C ATOM 538 O ILE A 32 -4.117 28.496 -2.772 1.00 0.00 O ATOM 539 CB ILE A 32 -5.899 27.479 -0.179 1.00 0.00 C ATOM 540 CG1 ILE A 32 -6.817 26.434 -0.810 1.00 0.00 C ATOM 541 CG2 ILE A 32 -6.523 27.916 1.157 1.00 0.00 C ATOM 542 CD1 ILE A 32 -6.121 25.833 -2.034 1.00 0.00 C ATOM 0 H ILE A 32 -6.754 27.659 -2.654 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.008 29.622 -0.519 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.906 27.052 -0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.050 25.652 -0.087 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.763 26.891 -1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.604 27.055 1.820 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.893 28.674 1.622 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.515 28.330 0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.770 25.086 -2.491 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.911 26.621 -2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.186 25.363 -1.727 1.00 0.00 H new ATOM 554 N THR A 33 -3.510 29.385 -0.834 1.00 0.00 N ATOM 555 CA THR A 33 -2.102 29.582 -1.278 1.00 0.00 C ATOM 556 C THR A 33 -1.337 28.270 -1.359 1.00 0.00 C ATOM 557 O THR A 33 -1.718 27.282 -0.768 1.00 0.00 O ATOM 558 CB THR A 33 -1.404 30.492 -0.262 1.00 0.00 C ATOM 559 OG1 THR A 33 -1.708 29.945 1.005 1.00 0.00 O ATOM 560 CG2 THR A 33 -2.048 31.887 -0.244 1.00 0.00 C ATOM 0 H THR A 33 -3.710 29.690 0.119 1.00 0.00 H new ATOM 0 HA THR A 33 -2.117 30.022 -2.275 1.00 0.00 H new ATOM 0 HB THR A 33 -0.343 30.563 -0.501 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.285 30.486 1.705 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.536 32.515 0.485 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.966 32.338 -1.233 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.100 31.799 0.029 1.00 0.00 H new ATOM 568 N LYS A 34 -0.257 28.295 -2.099 1.00 0.00 N ATOM 569 CA LYS A 34 0.566 27.072 -2.249 1.00 0.00 C ATOM 570 C LYS A 34 0.825 26.427 -0.899 1.00 0.00 C ATOM 571 O LYS A 34 0.844 25.221 -0.780 1.00 0.00 O ATOM 572 CB LYS A 34 1.905 27.469 -2.888 1.00 0.00 C ATOM 573 CG LYS A 34 1.731 27.554 -4.412 1.00 0.00 C ATOM 574 CD LYS A 34 0.760 28.706 -4.754 1.00 0.00 C ATOM 575 CE LYS A 34 -0.692 28.183 -4.863 1.00 0.00 C ATOM 576 NZ LYS A 34 -1.284 28.582 -6.170 1.00 0.00 N ATOM 0 H LYS A 34 0.085 29.113 -2.603 1.00 0.00 H new ATOM 0 HA LYS A 34 0.036 26.354 -2.875 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.239 28.429 -2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.673 26.737 -2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.696 27.723 -4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.344 26.611 -4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.817 29.477 -3.986 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.056 29.171 -5.694 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.704 27.097 -4.766 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.293 28.582 -4.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.259 28.226 -6.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.289 29.619 -6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.718 28.180 -6.945 1.00 0.00 H new ATOM 590 N ASP A 35 1.032 27.234 0.096 1.00 0.00 N ATOM 591 CA ASP A 35 1.286 26.664 1.434 1.00 0.00 C ATOM 592 C ASP A 35 -0.021 26.165 2.021 1.00 0.00 C ATOM 593 O ASP A 35 -0.051 25.222 2.795 1.00 0.00 O ATOM 594 CB ASP A 35 1.848 27.770 2.341 1.00 0.00 C ATOM 595 CG ASP A 35 2.238 27.165 3.692 1.00 0.00 C ATOM 596 OD1 ASP A 35 2.054 25.967 3.823 1.00 0.00 O ATOM 597 OD2 ASP A 35 2.698 27.936 4.518 1.00 0.00 O ATOM 0 H ASP A 35 1.036 28.252 0.040 1.00 0.00 H new ATOM 0 HA ASP A 35 1.995 25.839 1.359 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.716 28.234 1.873 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.104 28.554 2.482 1.00 0.00 H new ATOM 602 N LYS A 36 -1.087 26.797 1.621 1.00 0.00 N ATOM 603 CA LYS A 36 -2.404 26.392 2.130 1.00 0.00 C ATOM 604 C LYS A 36 -2.923 25.176 1.372 1.00 0.00 C ATOM 605 O LYS A 36 -3.439 24.249 1.966 1.00 0.00 O ATOM 606 CB LYS A 36 -3.369 27.564 1.951 1.00 0.00 C ATOM 607 CG LYS A 36 -3.057 28.637 2.998 1.00 0.00 C ATOM 608 CD LYS A 36 -3.858 28.346 4.269 1.00 0.00 C ATOM 609 CE LYS A 36 -3.259 29.136 5.436 1.00 0.00 C ATOM 610 NZ LYS A 36 -2.769 30.466 4.975 1.00 0.00 N ATOM 0 H LYS A 36 -1.093 27.576 0.963 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.322 26.124 3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.274 27.979 0.948 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.399 27.223 2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.990 28.646 3.220 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.311 29.624 2.612 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.903 28.622 4.126 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.838 27.279 4.489 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.010 29.269 6.215 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.437 28.573 5.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.636 31.091 5.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.862 30.349 4.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.466 30.888 4.328 1.00 0.00 H new ATOM 624 N ARG A 37 -2.782 25.186 0.070 1.00 0.00 N ATOM 625 CA ARG A 37 -3.271 24.024 -0.689 1.00 0.00 C ATOM 626 C ARG A 37 -2.419 22.827 -0.331 1.00 0.00 C ATOM 627 O ARG A 37 -2.817 21.690 -0.501 1.00 0.00 O ATOM 628 CB ARG A 37 -3.176 24.314 -2.204 1.00 0.00 C ATOM 629 CG ARG A 37 -1.717 24.261 -2.651 1.00 0.00 C ATOM 630 CD ARG A 37 -1.386 22.862 -3.198 1.00 0.00 C ATOM 631 NE ARG A 37 -0.182 22.959 -4.074 1.00 0.00 N ATOM 632 CZ ARG A 37 -0.332 23.216 -5.348 1.00 0.00 C ATOM 633 NH1 ARG A 37 -1.525 23.497 -5.801 1.00 0.00 N ATOM 634 NH2 ARG A 37 0.716 23.186 -6.123 1.00 0.00 N ATOM 0 H ARG A 37 -2.359 25.935 -0.478 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.313 23.822 -0.441 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.763 23.584 -2.761 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.597 25.295 -2.423 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.536 25.013 -3.419 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.062 24.497 -1.812 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.200 22.170 -2.376 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.232 22.468 -3.761 1.00 0.00 H new ATOM 0 HE ARG A 37 0.751 22.826 -3.683 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.322 23.514 -5.164 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.660 23.700 -6.792 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.632 22.965 -5.733 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.620 23.383 -7.119 1.00 0.00 H new ATOM 648 N ARG A 38 -1.243 23.116 0.167 1.00 0.00 N ATOM 649 CA ARG A 38 -0.327 22.033 0.557 1.00 0.00 C ATOM 650 C ARG A 38 -0.773 21.463 1.886 1.00 0.00 C ATOM 651 O ARG A 38 -0.623 20.284 2.144 1.00 0.00 O ATOM 652 CB ARG A 38 1.087 22.609 0.727 1.00 0.00 C ATOM 653 CG ARG A 38 1.882 22.400 -0.561 1.00 0.00 C ATOM 654 CD ARG A 38 3.304 22.935 -0.361 1.00 0.00 C ATOM 655 NE ARG A 38 4.119 21.900 0.337 1.00 0.00 N ATOM 656 CZ ARG A 38 5.107 22.272 1.106 1.00 0.00 C ATOM 657 NH1 ARG A 38 4.854 23.024 2.142 1.00 0.00 N ATOM 658 NH2 ARG A 38 6.318 21.879 0.812 1.00 0.00 N ATOM 0 H ARG A 38 -0.889 24.061 0.316 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.330 21.257 -0.208 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.032 23.671 0.964 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.592 22.122 1.561 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.911 21.341 -0.818 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.398 22.917 -1.390 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.752 23.181 -1.324 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.281 23.854 0.224 1.00 0.00 H new ATOM 0 HE ARG A 38 3.907 20.910 0.215 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.896 23.312 2.341 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.614 23.323 2.753 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.479 21.292 -0.006 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.102 22.159 1.401 1.00 0.00 H new ATOM 672 N ARG A 39 -1.320 22.319 2.721 1.00 0.00 N ATOM 673 CA ARG A 39 -1.779 21.834 4.028 1.00 0.00 C ATOM 674 C ARG A 39 -2.831 20.804 3.777 1.00 0.00 C ATOM 675 O ARG A 39 -2.934 19.817 4.478 1.00 0.00 O ATOM 676 CB ARG A 39 -2.377 23.007 4.824 1.00 0.00 C ATOM 677 CG ARG A 39 -1.296 23.593 5.736 1.00 0.00 C ATOM 678 CD ARG A 39 -1.748 24.966 6.238 1.00 0.00 C ATOM 679 NE ARG A 39 -2.606 24.782 7.443 1.00 0.00 N ATOM 680 CZ ARG A 39 -3.873 25.081 7.377 1.00 0.00 C ATOM 681 NH1 ARG A 39 -4.224 26.338 7.362 1.00 0.00 N ATOM 682 NH2 ARG A 39 -4.748 24.115 7.327 1.00 0.00 N ATOM 0 H ARG A 39 -1.459 23.314 2.542 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.955 21.408 4.600 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.751 23.772 4.143 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.226 22.666 5.417 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.115 22.926 6.579 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.355 23.683 5.193 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.882 25.582 6.482 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.301 25.489 5.458 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.206 24.426 8.311 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.512 27.067 7.402 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.211 26.591 7.311 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.437 23.144 7.340 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.744 24.331 7.275 1.00 0.00 H new ATOM 696 N ILE A 40 -3.610 21.052 2.760 1.00 0.00 N ATOM 697 CA ILE A 40 -4.662 20.100 2.432 1.00 0.00 C ATOM 698 C ILE A 40 -3.998 18.802 2.027 1.00 0.00 C ATOM 699 O ILE A 40 -3.987 17.855 2.774 1.00 0.00 O ATOM 700 CB ILE A 40 -5.438 20.634 1.238 1.00 0.00 C ATOM 701 CG1 ILE A 40 -6.015 22.014 1.544 1.00 0.00 C ATOM 702 CG2 ILE A 40 -6.587 19.675 0.948 1.00 0.00 C ATOM 703 CD1 ILE A 40 -6.737 22.559 0.290 1.00 0.00 C ATOM 0 H ILE A 40 -3.550 21.872 2.156 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.329 19.949 3.280 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.769 20.716 0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.712 21.952 2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.218 22.695 1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.158 20.039 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.188 18.686 0.723 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.238 19.613 1.820 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -7.150 23.544 0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.027 22.636 -0.534 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.544 21.881 0.011 1.00 0.00 H new ATOM 715 N SER A 41 -3.421 18.800 0.845 1.00 0.00 N ATOM 716 CA SER A 41 -2.740 17.573 0.366 1.00 0.00 C ATOM 717 C SER A 41 -1.919 16.923 1.489 1.00 0.00 C ATOM 718 O SER A 41 -1.751 15.722 1.518 1.00 0.00 O ATOM 719 CB SER A 41 -1.780 17.973 -0.782 1.00 0.00 C ATOM 720 OG SER A 41 -0.584 17.244 -0.530 1.00 0.00 O ATOM 0 H SER A 41 -3.397 19.593 0.204 1.00 0.00 H new ATOM 0 HA SER A 41 -3.490 16.858 0.028 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.200 17.719 -1.755 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.595 19.047 -0.786 1.00 0.00 H new ATOM 0 HG SER A 41 0.015 17.321 -1.302 1.00 0.00 H new ATOM 726 N ALA A 42 -1.426 17.734 2.393 1.00 0.00 N ATOM 727 CA ALA A 42 -0.618 17.176 3.508 1.00 0.00 C ATOM 728 C ALA A 42 -1.513 16.539 4.545 1.00 0.00 C ATOM 729 O ALA A 42 -1.131 15.599 5.214 1.00 0.00 O ATOM 730 CB ALA A 42 0.160 18.325 4.166 1.00 0.00 C ATOM 0 H ALA A 42 -1.549 18.746 2.403 1.00 0.00 H new ATOM 0 HA ALA A 42 0.061 16.419 3.115 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.760 17.934 4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.814 18.791 3.429 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.541 19.067 4.549 1.00 0.00 H new ATOM 736 N THR A 43 -2.690 17.064 4.664 1.00 0.00 N ATOM 737 CA THR A 43 -3.636 16.512 5.647 1.00 0.00 C ATOM 738 C THR A 43 -4.480 15.466 4.968 1.00 0.00 C ATOM 739 O THR A 43 -4.894 14.490 5.562 1.00 0.00 O ATOM 740 CB THR A 43 -4.531 17.647 6.137 1.00 0.00 C ATOM 741 OG1 THR A 43 -3.829 18.242 7.210 1.00 0.00 O ATOM 742 CG2 THR A 43 -5.805 17.094 6.770 1.00 0.00 C ATOM 0 H THR A 43 -3.036 17.854 4.120 1.00 0.00 H new ATOM 0 HA THR A 43 -3.105 16.065 6.487 1.00 0.00 H new ATOM 0 HB THR A 43 -4.772 18.313 5.308 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.354 18.986 7.572 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.429 17.919 7.113 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.353 16.507 6.033 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.545 16.460 7.618 1.00 0.00 H new ATOM 750 N THR A 44 -4.709 15.706 3.718 1.00 0.00 N ATOM 751 CA THR A 44 -5.511 14.788 2.911 1.00 0.00 C ATOM 752 C THR A 44 -4.602 13.743 2.276 1.00 0.00 C ATOM 753 O THR A 44 -5.057 12.790 1.677 1.00 0.00 O ATOM 754 CB THR A 44 -6.177 15.626 1.834 1.00 0.00 C ATOM 755 OG1 THR A 44 -5.145 16.380 1.281 1.00 0.00 O ATOM 756 CG2 THR A 44 -7.101 16.671 2.465 1.00 0.00 C ATOM 0 H THR A 44 -4.361 16.523 3.216 1.00 0.00 H new ATOM 0 HA THR A 44 -6.255 14.268 3.515 1.00 0.00 H new ATOM 0 HB THR A 44 -6.726 14.986 1.144 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.443 16.515 1.951 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.570 17.263 1.680 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.871 16.169 3.051 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.520 17.326 3.115 1.00 0.00 H new ATOM 764 N ASN A 45 -3.319 13.977 2.416 1.00 0.00 N ATOM 765 CA ASN A 45 -2.298 13.049 1.854 1.00 0.00 C ATOM 766 C ASN A 45 -2.429 12.861 0.346 1.00 0.00 C ATOM 767 O ASN A 45 -2.855 11.817 -0.111 1.00 0.00 O ATOM 768 CB ASN A 45 -2.436 11.677 2.541 1.00 0.00 C ATOM 769 CG ASN A 45 -2.096 11.822 4.025 1.00 0.00 C ATOM 770 OD1 ASN A 45 -2.892 12.292 4.813 1.00 0.00 O ATOM 771 ND2 ASN A 45 -0.925 11.431 4.446 1.00 0.00 N ATOM 0 H ASN A 45 -2.934 14.786 2.904 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.320 13.493 2.042 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.451 11.298 2.423 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.770 10.953 2.072 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.682 11.521 5.432 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.253 11.036 3.789 1.00 0.00 H new ATOM 778 N LEU A 46 -2.061 13.883 -0.401 1.00 0.00 N ATOM 779 CA LEU A 46 -2.150 13.780 -1.896 1.00 0.00 C ATOM 780 C LEU A 46 -0.809 14.162 -2.532 1.00 0.00 C ATOM 781 O LEU A 46 0.226 13.654 -2.151 1.00 0.00 O ATOM 782 CB LEU A 46 -3.211 14.751 -2.429 1.00 0.00 C ATOM 783 CG LEU A 46 -4.407 14.835 -1.476 1.00 0.00 C ATOM 784 CD1 LEU A 46 -5.197 16.098 -1.814 1.00 0.00 C ATOM 785 CD2 LEU A 46 -5.317 13.629 -1.681 1.00 0.00 C ATOM 0 H LEU A 46 -1.708 14.771 -0.044 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.412 12.752 -2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.772 15.741 -2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.548 14.423 -3.413 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.056 14.855 -0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.055 16.180 -1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.557 16.972 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.543 16.045 -2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.166 13.694 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.677 13.615 -2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.760 12.714 -1.479 1.00 0.00 H new ATOM 797 N SER A 47 -0.855 15.057 -3.499 1.00 0.00 N ATOM 798 CA SER A 47 0.407 15.480 -4.166 1.00 0.00 C ATOM 799 C SER A 47 0.341 16.950 -4.608 1.00 0.00 C ATOM 800 O SER A 47 0.988 17.333 -5.562 1.00 0.00 O ATOM 801 CB SER A 47 0.616 14.602 -5.413 1.00 0.00 C ATOM 802 OG SER A 47 0.335 13.285 -4.963 1.00 0.00 O ATOM 0 H SER A 47 -1.705 15.503 -3.845 1.00 0.00 H new ATOM 0 HA SER A 47 1.229 15.369 -3.459 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.050 14.897 -6.224 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.635 14.685 -5.792 1.00 0.00 H new ATOM 0 HG SER A 47 0.444 12.655 -5.706 1.00 0.00 H new ATOM 808 N GLU A 48 -0.459 17.738 -3.916 1.00 0.00 N ATOM 809 CA GLU A 48 -0.582 19.171 -4.273 1.00 0.00 C ATOM 810 C GLU A 48 -1.305 19.292 -5.580 1.00 0.00 C ATOM 811 O GLU A 48 -2.403 19.802 -5.641 1.00 0.00 O ATOM 812 CB GLU A 48 0.826 19.781 -4.394 1.00 0.00 C ATOM 813 CG GLU A 48 1.751 19.090 -3.387 1.00 0.00 C ATOM 814 CD GLU A 48 2.747 20.109 -2.827 1.00 0.00 C ATOM 815 OE1 GLU A 48 2.919 21.119 -3.490 1.00 0.00 O ATOM 816 OE2 GLU A 48 3.279 19.818 -1.770 1.00 0.00 O ATOM 0 H GLU A 48 -1.026 17.439 -3.123 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.141 19.703 -3.503 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.207 19.652 -5.407 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.791 20.853 -4.200 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.165 18.655 -2.577 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.285 18.271 -3.869 1.00 0.00 H new ATOM 823 N ARG A 49 -0.690 18.810 -6.605 1.00 0.00 N ATOM 824 CA ARG A 49 -1.332 18.885 -7.923 1.00 0.00 C ATOM 825 C ARG A 49 -2.700 18.256 -7.824 1.00 0.00 C ATOM 826 O ARG A 49 -3.606 18.592 -8.558 1.00 0.00 O ATOM 827 CB ARG A 49 -0.484 18.098 -8.932 1.00 0.00 C ATOM 828 CG ARG A 49 0.741 18.934 -9.310 1.00 0.00 C ATOM 829 CD ARG A 49 1.787 18.033 -9.969 1.00 0.00 C ATOM 830 NE ARG A 49 3.133 18.643 -9.784 1.00 0.00 N ATOM 831 CZ ARG A 49 3.726 19.207 -10.800 1.00 0.00 C ATOM 832 NH1 ARG A 49 3.029 19.976 -11.592 1.00 0.00 N ATOM 833 NH2 ARG A 49 4.997 18.983 -10.991 1.00 0.00 N ATOM 0 H ARG A 49 0.229 18.368 -6.586 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.420 19.922 -8.247 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.172 17.146 -8.501 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.072 17.868 -9.820 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.453 19.734 -9.992 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.160 19.407 -8.422 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.760 17.037 -9.526 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.569 17.916 -11.030 1.00 0.00 H new ATOM 0 HE ARG A 49 3.587 18.620 -8.871 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.037 20.128 -11.412 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.477 20.425 -12.391 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.510 18.376 -10.351 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.478 19.415 -11.780 1.00 0.00 H new ATOM 847 N GLN A 50 -2.819 17.339 -6.896 1.00 0.00 N ATOM 848 CA GLN A 50 -4.104 16.654 -6.699 1.00 0.00 C ATOM 849 C GLN A 50 -5.097 17.611 -6.063 1.00 0.00 C ATOM 850 O GLN A 50 -6.267 17.602 -6.393 1.00 0.00 O ATOM 851 CB GLN A 50 -3.879 15.461 -5.767 1.00 0.00 C ATOM 852 CG GLN A 50 -3.538 14.231 -6.613 1.00 0.00 C ATOM 853 CD GLN A 50 -4.814 13.694 -7.264 1.00 0.00 C ATOM 854 OE1 GLN A 50 -5.162 14.060 -8.369 1.00 0.00 O ATOM 855 NE2 GLN A 50 -5.539 12.824 -6.616 1.00 0.00 N ATOM 0 H GLN A 50 -2.069 17.044 -6.270 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.498 16.314 -7.657 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.070 15.675 -5.069 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.773 15.274 -5.172 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.808 14.493 -7.379 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.083 13.462 -5.989 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.253 12.512 -5.688 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.392 12.456 -7.038 1.00 0.00 H new ATOM 864 N VAL A 51 -4.615 18.432 -5.152 1.00 0.00 N ATOM 865 CA VAL A 51 -5.537 19.387 -4.505 1.00 0.00 C ATOM 866 C VAL A 51 -6.000 20.309 -5.562 1.00 0.00 C ATOM 867 O VAL A 51 -7.175 20.526 -5.758 1.00 0.00 O ATOM 868 CB VAL A 51 -4.795 20.211 -3.452 1.00 0.00 C ATOM 869 CG1 VAL A 51 -5.829 20.944 -2.586 1.00 0.00 C ATOM 870 CG2 VAL A 51 -3.958 19.283 -2.576 1.00 0.00 C ATOM 0 H VAL A 51 -3.644 18.472 -4.844 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.358 18.854 -4.025 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.137 20.932 -3.937 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.315 21.537 -1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.430 21.601 -3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.477 20.216 -2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.429 19.870 -1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.610 18.564 -2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.236 18.751 -3.196 1.00 0.00 H new ATOM 880 N THR A 52 -5.039 20.837 -6.243 1.00 0.00 N ATOM 881 CA THR A 52 -5.347 21.759 -7.321 1.00 0.00 C ATOM 882 C THR A 52 -6.417 21.140 -8.179 1.00 0.00 C ATOM 883 O THR A 52 -7.353 21.786 -8.601 1.00 0.00 O ATOM 884 CB THR A 52 -4.092 21.911 -8.156 1.00 0.00 C ATOM 885 OG1 THR A 52 -3.083 21.253 -7.430 1.00 0.00 O ATOM 886 CG2 THR A 52 -3.626 23.365 -8.221 1.00 0.00 C ATOM 0 H THR A 52 -4.046 20.660 -6.089 1.00 0.00 H new ATOM 0 HA THR A 52 -5.682 22.722 -6.936 1.00 0.00 H new ATOM 0 HB THR A 52 -4.282 21.535 -9.161 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.248 21.761 -7.497 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.724 23.431 -8.829 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.409 23.979 -8.666 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.412 23.724 -7.214 1.00 0.00 H new ATOM 894 N ILE A 53 -6.238 19.873 -8.424 1.00 0.00 N ATOM 895 CA ILE A 53 -7.199 19.140 -9.243 1.00 0.00 C ATOM 896 C ILE A 53 -8.461 18.929 -8.444 1.00 0.00 C ATOM 897 O ILE A 53 -9.548 18.883 -8.985 1.00 0.00 O ATOM 898 CB ILE A 53 -6.554 17.785 -9.609 1.00 0.00 C ATOM 899 CG1 ILE A 53 -6.033 17.818 -11.044 1.00 0.00 C ATOM 900 CG2 ILE A 53 -7.587 16.638 -9.475 1.00 0.00 C ATOM 901 CD1 ILE A 53 -7.140 18.284 -12.002 1.00 0.00 C ATOM 0 H ILE A 53 -5.452 19.321 -8.081 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.453 19.688 -10.151 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.726 17.608 -8.922 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.177 18.490 -11.112 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.684 16.827 -11.335 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.115 15.691 -9.737 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.948 16.592 -8.448 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.426 16.823 -10.146 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.755 18.303 -13.021 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.984 17.596 -11.945 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.468 19.284 -11.720 1.00 0.00 H new ATOM 913 N TRP A 54 -8.298 18.815 -7.157 1.00 0.00 N ATOM 914 CA TRP A 54 -9.464 18.612 -6.314 1.00 0.00 C ATOM 915 C TRP A 54 -10.325 19.830 -6.408 1.00 0.00 C ATOM 916 O TRP A 54 -11.517 19.751 -6.598 1.00 0.00 O ATOM 917 CB TRP A 54 -8.990 18.437 -4.860 1.00 0.00 C ATOM 918 CG TRP A 54 -9.995 17.598 -4.092 1.00 0.00 C ATOM 919 CD1 TRP A 54 -11.267 17.473 -4.427 1.00 0.00 C ATOM 920 CD2 TRP A 54 -9.687 16.803 -3.102 1.00 0.00 C ATOM 921 NE1 TRP A 54 -11.726 16.534 -3.591 1.00 0.00 N ATOM 922 CE2 TRP A 54 -10.782 16.051 -2.717 1.00 0.00 C ATOM 923 CE3 TRP A 54 -8.475 16.647 -2.436 1.00 0.00 C ATOM 924 CZ2 TRP A 54 -10.676 15.141 -1.699 1.00 0.00 C ATOM 925 CZ3 TRP A 54 -8.384 15.723 -1.406 1.00 0.00 C ATOM 926 CH2 TRP A 54 -9.482 14.977 -1.046 1.00 0.00 C ATOM 0 H TRP A 54 -7.403 18.856 -6.670 1.00 0.00 H new ATOM 0 HA TRP A 54 -10.023 17.731 -6.630 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.012 17.957 -4.842 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -8.876 19.411 -4.385 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -11.809 18.004 -5.195 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -12.692 16.206 -3.602 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -7.616 17.238 -2.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.534 14.552 -1.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -7.448 15.589 -0.885 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -9.403 14.258 -0.244 1.00 0.00 H new ATOM 937 N PHE A 55 -9.698 20.957 -6.330 1.00 0.00 N ATOM 938 CA PHE A 55 -10.484 22.192 -6.413 1.00 0.00 C ATOM 939 C PHE A 55 -11.248 22.259 -7.735 1.00 0.00 C ATOM 940 O PHE A 55 -12.420 22.585 -7.759 1.00 0.00 O ATOM 941 CB PHE A 55 -9.535 23.375 -6.295 1.00 0.00 C ATOM 942 CG PHE A 55 -9.265 23.623 -4.809 1.00 0.00 C ATOM 943 CD1 PHE A 55 -8.880 22.576 -3.986 1.00 0.00 C ATOM 944 CD2 PHE A 55 -9.432 24.881 -4.260 1.00 0.00 C ATOM 945 CE1 PHE A 55 -8.667 22.784 -2.644 1.00 0.00 C ATOM 946 CE2 PHE A 55 -9.218 25.085 -2.911 1.00 0.00 C ATOM 947 CZ PHE A 55 -8.835 24.036 -2.106 1.00 0.00 C ATOM 0 H PHE A 55 -8.691 21.073 -6.214 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.214 22.215 -5.604 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.603 23.169 -6.822 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.972 24.261 -6.755 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.746 21.589 -4.403 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.731 25.707 -4.888 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.367 21.961 -2.012 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.351 26.069 -2.487 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.667 24.198 -1.052 1.00 0.00 H new ATOM 957 N GLN A 56 -10.579 21.942 -8.810 1.00 0.00 N ATOM 958 CA GLN A 56 -11.264 21.984 -10.125 1.00 0.00 C ATOM 959 C GLN A 56 -12.377 20.951 -10.160 1.00 0.00 C ATOM 960 O GLN A 56 -13.415 21.165 -10.759 1.00 0.00 O ATOM 961 CB GLN A 56 -10.252 21.629 -11.210 1.00 0.00 C ATOM 962 CG GLN A 56 -9.420 22.866 -11.555 1.00 0.00 C ATOM 963 CD GLN A 56 -8.659 22.613 -12.860 1.00 0.00 C ATOM 964 OE1 GLN A 56 -9.167 22.003 -13.780 1.00 0.00 O ATOM 965 NE2 GLN A 56 -7.441 23.067 -12.982 1.00 0.00 N ATOM 0 H GLN A 56 -9.599 21.659 -8.832 1.00 0.00 H new ATOM 0 HA GLN A 56 -11.679 22.979 -10.286 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -9.602 20.824 -10.867 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.768 21.265 -12.099 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -10.067 23.737 -11.660 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.720 23.085 -10.748 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.009 23.580 -12.214 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.922 22.909 -13.846 1.00 0.00 H new ATOM 974 N ASN A 57 -12.139 19.843 -9.511 1.00 0.00 N ATOM 975 CA ASN A 57 -13.158 18.783 -9.486 1.00 0.00 C ATOM 976 C ASN A 57 -14.306 19.246 -8.639 1.00 0.00 C ATOM 977 O ASN A 57 -15.457 19.023 -8.957 1.00 0.00 O ATOM 978 CB ASN A 57 -12.540 17.520 -8.862 1.00 0.00 C ATOM 979 CG ASN A 57 -13.159 16.277 -9.503 1.00 0.00 C ATOM 980 OD1 ASN A 57 -14.366 16.352 -9.993 1.00 0.00 O flip ATOM 981 ND2 ASN A 57 -12.552 15.226 -9.562 1.00 0.00 N flip ATOM 0 H ASN A 57 -11.280 19.636 -9.001 1.00 0.00 H new ATOM 0 HA ASN A 57 -13.506 18.562 -10.495 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.460 17.519 -9.011 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.713 17.511 -7.786 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.608 15.160 -9.181 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.986 14.410 -9.993 1.00 0.00 H new ATOM 988 N ARG A 58 -13.969 19.887 -7.565 1.00 0.00 N ATOM 989 CA ARG A 58 -15.008 20.384 -6.675 1.00 0.00 C ATOM 990 C ARG A 58 -15.827 21.412 -7.423 1.00 0.00 C ATOM 991 O ARG A 58 -16.954 21.701 -7.070 1.00 0.00 O ATOM 992 CB ARG A 58 -14.326 21.050 -5.479 1.00 0.00 C ATOM 993 CG ARG A 58 -15.030 20.618 -4.190 1.00 0.00 C ATOM 994 CD ARG A 58 -16.435 21.223 -4.157 1.00 0.00 C ATOM 995 NE ARG A 58 -17.361 20.342 -4.925 1.00 0.00 N ATOM 996 CZ ARG A 58 -17.773 19.223 -4.392 1.00 0.00 C ATOM 997 NH1 ARG A 58 -16.964 18.198 -4.373 1.00 0.00 N ATOM 998 NH2 ARG A 58 -18.981 19.164 -3.902 1.00 0.00 N ATOM 0 H ARG A 58 -13.011 20.083 -7.274 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.655 19.575 -6.336 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.273 20.770 -5.444 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.364 22.134 -5.582 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -15.088 19.531 -4.140 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -14.459 20.947 -3.322 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -16.778 21.323 -3.127 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.424 22.224 -4.588 1.00 0.00 H new ATOM 0 HE ARG A 58 -17.670 20.611 -5.859 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.028 18.280 -4.770 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -17.268 17.316 -3.961 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -19.587 19.984 -3.939 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -19.319 18.298 -3.482 1.00 0.00 H new ATOM 1012 N ARG A 59 -15.238 21.941 -8.472 1.00 0.00 N ATOM 1013 CA ARG A 59 -15.960 22.956 -9.274 1.00 0.00 C ATOM 1014 C ARG A 59 -16.782 22.234 -10.302 1.00 0.00 C ATOM 1015 O ARG A 59 -17.736 22.752 -10.844 1.00 0.00 O ATOM 1016 CB ARG A 59 -14.928 23.850 -9.985 1.00 0.00 C ATOM 1017 CG ARG A 59 -15.507 25.257 -10.161 1.00 0.00 C ATOM 1018 CD ARG A 59 -16.571 25.236 -11.263 1.00 0.00 C ATOM 1019 NE ARG A 59 -16.522 26.528 -12.007 1.00 0.00 N ATOM 1020 CZ ARG A 59 -17.203 27.550 -11.561 1.00 0.00 C ATOM 1021 NH1 ARG A 59 -17.729 27.486 -10.369 1.00 0.00 N ATOM 1022 NH2 ARG A 59 -17.334 28.603 -12.323 1.00 0.00 N ATOM 0 H ARG A 59 -14.299 21.711 -8.797 1.00 0.00 H new ATOM 0 HA ARG A 59 -16.600 23.570 -8.640 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -14.007 23.894 -9.403 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.672 23.426 -10.956 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.945 25.602 -9.224 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.714 25.959 -10.419 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.393 24.403 -11.943 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.560 25.088 -10.829 1.00 0.00 H new ATOM 0 HE ARG A 59 -15.962 26.613 -12.856 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -17.605 26.648 -9.801 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -18.264 28.274 -10.005 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.908 28.618 -13.250 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.862 29.410 -11.991 1.00 0.00 H new ATOM 1036 N VAL A 60 -16.360 21.039 -10.558 1.00 0.00 N ATOM 1037 CA VAL A 60 -17.048 20.198 -11.533 1.00 0.00 C ATOM 1038 C VAL A 60 -18.095 19.340 -10.821 1.00 0.00 C ATOM 1039 O VAL A 60 -19.006 18.821 -11.433 1.00 0.00 O ATOM 1040 CB VAL A 60 -15.971 19.310 -12.191 1.00 0.00 C ATOM 1041 CG1 VAL A 60 -16.198 17.834 -11.836 1.00 0.00 C ATOM 1042 CG2 VAL A 60 -16.044 19.482 -13.709 1.00 0.00 C ATOM 0 H VAL A 60 -15.547 20.608 -10.118 1.00 0.00 H new ATOM 0 HA VAL A 60 -17.564 20.794 -12.286 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.990 19.611 -11.823 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.429 17.224 -12.309 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -16.147 17.708 -10.755 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -17.180 17.521 -12.192 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -15.286 18.858 -14.183 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -17.031 19.185 -14.062 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -15.866 20.526 -13.966 1.00 0.00 H new ATOM 1052 N LYS A 61 -17.911 19.188 -9.533 1.00 0.00 N ATOM 1053 CA LYS A 61 -18.862 18.380 -8.737 1.00 0.00 C ATOM 1054 C LYS A 61 -19.963 19.255 -8.140 1.00 0.00 C ATOM 1055 O LYS A 61 -21.033 18.775 -7.822 1.00 0.00 O ATOM 1056 CB LYS A 61 -18.083 17.715 -7.592 1.00 0.00 C ATOM 1057 CG LYS A 61 -17.436 16.425 -8.105 1.00 0.00 C ATOM 1058 CD LYS A 61 -18.442 15.275 -7.998 1.00 0.00 C ATOM 1059 CE LYS A 61 -18.043 14.369 -6.830 1.00 0.00 C ATOM 1060 NZ LYS A 61 -18.827 13.102 -6.861 1.00 0.00 N ATOM 0 H LYS A 61 -17.138 19.593 -9.004 1.00 0.00 H new ATOM 0 HA LYS A 61 -19.327 17.637 -9.385 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -17.319 18.394 -7.214 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -18.753 17.494 -6.761 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -17.119 16.551 -9.140 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.543 16.197 -7.524 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -19.447 15.667 -7.843 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -18.462 14.705 -8.927 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -16.977 14.146 -6.883 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -18.214 14.886 -5.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -18.544 12.499 -6.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -19.841 13.320 -6.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -18.643 12.602 -7.754 1.00 0.00 H new ATOM 1074 N GLU A 62 -19.680 20.529 -7.996 1.00 0.00 N ATOM 1075 CA GLU A 62 -20.696 21.435 -7.422 1.00 0.00 C ATOM 1076 C GLU A 62 -21.804 21.680 -8.416 1.00 0.00 C ATOM 1077 O GLU A 62 -22.968 21.660 -8.073 1.00 0.00 O ATOM 1078 CB GLU A 62 -20.023 22.774 -7.098 1.00 0.00 C ATOM 1079 CG GLU A 62 -19.786 23.539 -8.397 1.00 0.00 C ATOM 1080 CD GLU A 62 -18.895 24.752 -8.120 1.00 0.00 C ATOM 1081 OE1 GLU A 62 -18.321 24.766 -7.044 1.00 0.00 O ATOM 1082 OE2 GLU A 62 -18.840 25.595 -8.999 1.00 0.00 O ATOM 0 H GLU A 62 -18.795 20.967 -8.252 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.117 20.982 -6.525 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -20.652 23.358 -6.426 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -19.077 22.605 -6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.314 22.889 -9.134 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -20.737 23.862 -8.820 1.00 0.00 H new ATOM 1089 N LYS A 63 -21.427 21.908 -9.640 1.00 0.00 N ATOM 1090 CA LYS A 63 -22.457 22.156 -10.667 1.00 0.00 C ATOM 1091 C LYS A 63 -23.481 21.029 -10.670 1.00 0.00 C ATOM 1092 O LYS A 63 -24.592 21.194 -11.133 1.00 0.00 O ATOM 1093 CB LYS A 63 -21.781 22.219 -12.043 1.00 0.00 C ATOM 1094 CG LYS A 63 -21.165 20.862 -12.348 1.00 0.00 C ATOM 1095 CD LYS A 63 -20.396 20.940 -13.668 1.00 0.00 C ATOM 1096 CE LYS A 63 -20.347 19.546 -14.299 1.00 0.00 C ATOM 1097 NZ LYS A 63 -19.820 19.622 -15.691 1.00 0.00 N ATOM 0 H LYS A 63 -20.461 21.932 -9.966 1.00 0.00 H new ATOM 0 HA LYS A 63 -22.963 23.096 -10.447 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -22.509 22.484 -12.810 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -21.013 22.993 -12.051 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -20.495 20.564 -11.541 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -21.944 20.102 -12.412 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -20.881 21.643 -14.345 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -19.386 21.310 -13.494 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -19.715 18.891 -13.700 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -21.345 19.108 -14.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.793 18.668 -16.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -20.439 20.231 -16.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.859 20.020 -15.677 1.00 0.00 H new ATOM 1111 N LYS A 64 -23.083 19.895 -10.149 1.00 0.00 N ATOM 1112 CA LYS A 64 -24.016 18.739 -10.108 1.00 0.00 C ATOM 1113 C LYS A 64 -25.245 19.063 -9.264 1.00 0.00 C ATOM 1114 O LYS A 64 -26.279 18.439 -9.403 1.00 0.00 O ATOM 1115 CB LYS A 64 -23.280 17.547 -9.472 1.00 0.00 C ATOM 1116 CG LYS A 64 -24.153 16.292 -9.590 1.00 0.00 C ATOM 1117 CD LYS A 64 -23.395 15.097 -9.004 1.00 0.00 C ATOM 1118 CE LYS A 64 -24.355 13.912 -8.861 1.00 0.00 C ATOM 1119 NZ LYS A 64 -23.691 12.785 -8.144 1.00 0.00 N ATOM 0 H LYS A 64 -22.158 19.725 -9.754 1.00 0.00 H new ATOM 0 HA LYS A 64 -24.341 18.506 -11.122 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -22.324 17.387 -9.970 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -23.063 17.756 -8.425 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -25.094 16.437 -9.059 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -24.402 16.104 -10.634 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -22.560 14.828 -9.651 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -22.974 15.359 -8.033 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -25.247 14.222 -8.316 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -24.683 13.581 -9.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -24.356 11.990 -8.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -22.854 12.478 -8.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -23.400 13.100 -7.196 1.00 0.00 H new ATOM 1133 N VAL A 65 -25.110 20.032 -8.398 1.00 0.00 N ATOM 1134 CA VAL A 65 -26.260 20.406 -7.538 1.00 0.00 C ATOM 1135 C VAL A 65 -27.113 21.474 -8.213 1.00 0.00 C ATOM 1136 O VAL A 65 -26.959 21.741 -9.388 1.00 0.00 O ATOM 1137 CB VAL A 65 -25.715 20.969 -6.214 1.00 0.00 C ATOM 1138 CG1 VAL A 65 -26.831 20.983 -5.166 1.00 0.00 C ATOM 1139 CG2 VAL A 65 -24.577 20.074 -5.721 1.00 0.00 C ATOM 0 H VAL A 65 -24.259 20.574 -8.253 1.00 0.00 H new ATOM 0 HA VAL A 65 -26.877 19.524 -7.363 1.00 0.00 H new ATOM 0 HB VAL A 65 -25.350 21.984 -6.372 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -26.444 21.382 -4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -27.651 21.610 -5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -27.193 19.967 -5.006 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -24.186 20.467 -4.783 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -24.952 19.063 -5.563 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -23.781 20.054 -6.466 1.00 0.00 H new ATOM 1149 N ILE A 66 -27.996 22.068 -7.455 1.00 0.00 N ATOM 1150 CA ILE A 66 -28.867 23.119 -8.038 1.00 0.00 C ATOM 1151 C ILE A 66 -29.386 22.693 -9.406 1.00 0.00 C ATOM 1152 O ILE A 66 -29.750 23.519 -10.219 1.00 0.00 O ATOM 1153 CB ILE A 66 -28.038 24.395 -8.204 1.00 0.00 C ATOM 1154 CG1 ILE A 66 -27.021 24.497 -7.078 1.00 0.00 C ATOM 1155 CG2 ILE A 66 -28.981 25.607 -8.124 1.00 0.00 C ATOM 1156 CD1 ILE A 66 -26.552 25.948 -6.959 1.00 0.00 C ATOM 0 H ILE A 66 -28.148 21.870 -6.466 1.00 0.00 H new ATOM 0 HA ILE A 66 -29.717 23.285 -7.376 1.00 0.00 H new ATOM 0 HB ILE A 66 -27.521 24.372 -9.163 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -27.465 24.167 -6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -26.172 23.842 -7.277 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -28.405 26.525 -8.241 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -29.725 25.542 -8.918 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -29.483 25.614 -7.156 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -25.822 26.030 -6.153 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -26.093 26.260 -7.897 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -27.406 26.590 -6.741 1.00 0.00 H new ATOM 1168 N ASN A 67 -29.407 21.404 -9.633 1.00 0.00 N ATOM 1169 CA ASN A 67 -29.898 20.896 -10.940 1.00 0.00 C ATOM 1170 C ASN A 67 -30.707 19.619 -10.756 1.00 0.00 C ATOM 1171 O ASN A 67 -31.086 18.982 -11.719 1.00 0.00 O ATOM 1172 CB ASN A 67 -28.681 20.578 -11.820 1.00 0.00 C ATOM 1173 CG ASN A 67 -29.135 20.399 -13.270 1.00 0.00 C ATOM 1174 OD1 ASN A 67 -29.297 21.354 -14.004 1.00 0.00 O ATOM 1175 ND2 ASN A 67 -29.351 19.193 -13.722 1.00 0.00 N ATOM 0 H ASN A 67 -29.106 20.689 -8.971 1.00 0.00 H new ATOM 0 HA ASN A 67 -30.534 21.652 -11.399 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -27.950 21.383 -11.753 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -28.190 19.671 -11.467 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -29.654 19.056 -14.686 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -29.217 18.388 -13.111 1.00 0.00 H new ATOM 1182 N LYS A 68 -30.953 19.271 -9.516 1.00 0.00 N ATOM 1183 CA LYS A 68 -31.738 18.039 -9.229 1.00 0.00 C ATOM 1184 C LYS A 68 -32.930 18.356 -8.338 1.00 0.00 C ATOM 1185 O LYS A 68 -33.474 17.483 -7.691 1.00 0.00 O ATOM 1186 CB LYS A 68 -30.821 17.050 -8.494 1.00 0.00 C ATOM 1187 CG LYS A 68 -31.297 15.624 -8.771 1.00 0.00 C ATOM 1188 CD LYS A 68 -30.668 14.679 -7.746 1.00 0.00 C ATOM 1189 CE LYS A 68 -31.003 13.235 -8.122 1.00 0.00 C ATOM 1190 NZ LYS A 68 -32.479 13.035 -8.161 1.00 0.00 N ATOM 0 H LYS A 68 -30.643 19.789 -8.694 1.00 0.00 H new ATOM 0 HA LYS A 68 -32.104 17.618 -10.165 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -29.791 17.174 -8.828 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -30.835 17.249 -7.423 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -32.384 15.572 -8.713 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -31.017 15.324 -9.781 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -29.587 14.819 -7.719 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -31.043 14.904 -6.748 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -30.572 12.997 -9.094 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -30.556 12.552 -7.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -32.707 12.071 -7.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -32.939 13.723 -7.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -32.822 13.171 -9.133 1.00 0.00 H new ATOM 1204 N LEU A 69 -33.316 19.601 -8.323 1.00 0.00 N ATOM 1205 CA LEU A 69 -34.470 19.995 -7.481 1.00 0.00 C ATOM 1206 C LEU A 69 -35.783 19.541 -8.109 1.00 0.00 C ATOM 1207 O LEU A 69 -36.554 18.831 -7.494 1.00 0.00 O ATOM 1208 CB LEU A 69 -34.483 21.527 -7.365 1.00 0.00 C ATOM 1209 CG LEU A 69 -33.498 21.958 -6.276 1.00 0.00 C ATOM 1210 CD1 LEU A 69 -34.075 21.600 -4.903 1.00 0.00 C ATOM 1211 CD2 LEU A 69 -32.172 21.219 -6.475 1.00 0.00 C ATOM 0 H LEU A 69 -32.883 20.356 -8.855 1.00 0.00 H new ATOM 0 HA LEU A 69 -34.372 19.526 -6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -34.209 21.978 -8.319 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -35.487 21.877 -7.123 1.00 0.00 H new ATOM 0 HG LEU A 69 -33.332 23.034 -6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -33.376 21.905 -4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -35.025 22.116 -4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -34.235 20.523 -4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -31.467 21.523 -5.701 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -32.341 20.144 -6.410 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -31.763 21.463 -7.455 1.00 0.00 H new ATOM 1223 N LYS A 70 -36.013 19.958 -9.325 1.00 0.00 N ATOM 1224 CA LYS A 70 -37.271 19.558 -10.005 1.00 0.00 C ATOM 1225 C LYS A 70 -37.253 18.076 -10.353 1.00 0.00 C ATOM 1226 O LYS A 70 -38.237 17.383 -10.181 1.00 0.00 O ATOM 1227 CB LYS A 70 -37.400 20.370 -11.303 1.00 0.00 C ATOM 1228 CG LYS A 70 -37.507 21.857 -10.956 1.00 0.00 C ATOM 1229 CD LYS A 70 -38.978 22.285 -11.014 1.00 0.00 C ATOM 1230 CE LYS A 70 -39.477 22.192 -12.458 1.00 0.00 C ATOM 1231 NZ LYS A 70 -38.341 22.314 -13.412 1.00 0.00 N ATOM 0 H LYS A 70 -35.389 20.553 -9.870 1.00 0.00 H new ATOM 0 HA LYS A 70 -38.111 19.748 -9.338 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -36.536 20.195 -11.943 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -38.280 20.050 -11.861 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -37.102 22.040 -9.961 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -36.916 22.449 -11.655 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -39.580 21.646 -10.368 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -39.086 23.305 -10.645 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -39.988 21.242 -12.612 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -40.206 22.980 -12.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -38.708 22.504 -14.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -37.722 23.096 -13.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -37.798 21.427 -13.420 1.00 0.00 H new ATOM 1245 N THR A 71 -36.136 17.614 -10.838 1.00 0.00 N ATOM 1246 CA THR A 71 -36.042 16.180 -11.201 1.00 0.00 C ATOM 1247 C THR A 71 -37.074 15.824 -12.262 1.00 0.00 C ATOM 1248 O THR A 71 -37.675 14.770 -12.217 1.00 0.00 O ATOM 1249 CB THR A 71 -36.320 15.347 -9.947 1.00 0.00 C ATOM 1250 OG1 THR A 71 -35.738 16.070 -8.880 1.00 0.00 O ATOM 1251 CG2 THR A 71 -35.543 14.024 -9.988 1.00 0.00 C ATOM 0 H THR A 71 -35.292 18.164 -10.997 1.00 0.00 H new ATOM 0 HA THR A 71 -35.047 15.976 -11.597 1.00 0.00 H new ATOM 0 HB THR A 71 -37.390 15.159 -9.858 1.00 0.00 H new ATOM 0 HG1 THR A 71 -34.832 16.348 -9.129 1.00 0.00 H new ATOM 0 HG21 THR A 71 -35.756 13.449 -9.087 1.00 0.00 H new ATOM 0 HG22 THR A 71 -35.846 13.451 -10.864 1.00 0.00 H new ATOM 0 HG23 THR A 71 -34.474 14.231 -10.042 1.00 0.00 H new ATOM 1259 N THR A 72 -37.261 16.712 -13.200 1.00 0.00 N ATOM 1260 CA THR A 72 -38.250 16.442 -14.271 1.00 0.00 C ATOM 1261 C THR A 72 -37.846 15.223 -15.091 1.00 0.00 C ATOM 1262 O THR A 72 -38.505 14.871 -16.050 1.00 0.00 O ATOM 1263 CB THR A 72 -38.303 17.658 -15.199 1.00 0.00 C ATOM 1264 OG1 THR A 72 -39.396 17.420 -16.061 1.00 0.00 O ATOM 1265 CG2 THR A 72 -37.079 17.691 -16.125 1.00 0.00 C ATOM 0 H THR A 72 -36.774 17.605 -13.268 1.00 0.00 H new ATOM 0 HA THR A 72 -39.221 16.251 -13.814 1.00 0.00 H new ATOM 0 HB THR A 72 -38.359 18.573 -14.609 1.00 0.00 H new ATOM 0 HG1 THR A 72 -39.413 16.473 -16.314 1.00 0.00 H new ATOM 0 HG21 THR A 72 -37.138 18.564 -16.775 1.00 0.00 H new ATOM 0 HG22 THR A 72 -36.170 17.746 -15.525 1.00 0.00 H new ATOM 0 HG23 THR A 72 -37.058 16.786 -16.733 1.00 0.00 H new ATOM 1273 N SER A 73 -36.770 14.598 -14.701 1.00 0.00 N ATOM 1274 CA SER A 73 -36.311 13.403 -15.448 1.00 0.00 C ATOM 1275 C SER A 73 -37.349 12.289 -15.380 1.00 0.00 C ATOM 1276 O SER A 73 -37.343 11.605 -14.370 1.00 0.00 O ATOM 1277 CB SER A 73 -35.007 12.903 -14.810 1.00 0.00 C ATOM 1278 OG SER A 73 -35.288 12.882 -13.418 1.00 0.00 O ATOM 1279 OXT SER A 73 -38.090 12.180 -16.342 1.00 0.00 O ATOM 0 H SER A 73 -36.194 14.864 -13.902 1.00 0.00 H new ATOM 0 HA SER A 73 -36.158 13.674 -16.493 1.00 0.00 H new ATOM 0 HB2 SER A 73 -34.738 11.913 -15.177 1.00 0.00 H new ATOM 0 HB3 SER A 73 -34.172 13.565 -15.038 1.00 0.00 H new ATOM 0 HG SER A 73 -36.092 12.345 -13.255 1.00 0.00 H new TER 1285 SER A 73