USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=20 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 4 GLN :FLIP amide:sc= -0.184 F(o=-6.5,f=-3.5) USER MOD Set 1.2: A 71 GLN :FLIP amide:sc= -3.35! C(o=-6.5!,f=-3.5!) USER MOD Set 2.1: A 30 THR OG1 : rot -76:sc= -0.965! USER MOD Set 2.2: A 31 SER OG : rot 180:sc= 0.345 USER MOD Set 3.1: A 11 LYS NZ :NH3+ 163:sc= 1.86 (180deg=0.016) USER MOD Set 3.2: A 12 THR OG1 : rot -160:sc= 0.384 USER MOD Set 4.1: A 3 GLN : amide:sc= -6.93! C(o=-6.5!,f=-17!) USER MOD Set 4.2: A 41 LYS NZ :NH3+ -125:sc= 0.408 (180deg=-0.865) USER MOD Single : A 5 LYS NZ :NH3+ -170:sc= 0.563 (180deg=0.507) USER MOD Single : A 15 GLN : amide:sc= 1.12 K(o=1.1,f=-0.097) USER MOD Single : A 24 GLN :FLIP amide:sc= -2.64 F(o=-3.3!,f=-2.6) USER MOD Single : A 27 ASN : amide:sc= -1.36! X(o=-1.4!,f=-1.5) USER MOD Single : A 37 LYS NZ :NH3+ -155:sc= -5.47! (180deg=-6!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -3.5 K(o=-3.5,f=-5.5!) USER MOD Single : A 45 LYS NZ :NH3+ -168:sc= 0.163 (180deg=0.137) USER MOD Single : A 46 SER OG : rot 180:sc= -1.16 USER MOD Single : A 48 MET CE :methyl 141:sc= -0.964 (180deg=-1.53) USER MOD Single : A 51 MET CE :methyl 152:sc= -0.396 (180deg=-1.65!) USER MOD Single : A 52 SER OG : rot 87:sc= 0.845 USER MOD Single : A 56 SER OG : rot 72:sc= -1.62! USER MOD Single : A 57 THR OG1 : rot -133:sc= -4.53! USER MOD Single : A 59 THR OG1 : rot -56:sc= -3.03! USER MOD Single : A 62 THR OG1 : rot 69:sc= -2.01! USER MOD Single : A 66 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.52) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot -20:sc= -3.47! USER MOD Single : A 82 GLN : amide:sc= -6.1! C(o=-6.1!,f=-9.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 -18.364 4.615 -1.438 1.00 0.00 N ATOM 2 CA VAL A 2 -17.191 5.123 -2.139 1.00 0.00 C ATOM 3 C VAL A 2 -15.998 4.392 -1.526 1.00 0.00 C ATOM 4 O VAL A 2 -15.310 3.638 -2.206 1.00 0.00 O ATOM 5 CB VAL A 2 -17.079 6.645 -2.057 1.00 0.00 C ATOM 6 CG1 VAL A 2 -15.830 7.105 -2.805 1.00 0.00 C ATOM 7 CG2 VAL A 2 -18.298 7.276 -2.722 1.00 0.00 C ATOM 0 HA VAL A 2 -17.248 4.930 -3.210 1.00 0.00 H new ATOM 0 HB VAL A 2 -17.021 6.945 -1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.750 8.190 -2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -14.948 6.651 -2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -15.899 6.802 -3.850 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -18.222 8.362 -2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -18.342 6.969 -3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -19.202 6.949 -2.209 1.00 0.00 H new ATOM 19 N GLN A 3 -15.774 4.577 -0.227 1.00 0.00 N ATOM 20 CA GLN A 3 -14.810 3.804 0.518 1.00 0.00 C ATOM 21 C GLN A 3 -15.561 2.824 1.419 1.00 0.00 C ATOM 22 O GLN A 3 -16.689 3.095 1.844 1.00 0.00 O ATOM 23 CB GLN A 3 -13.962 4.730 1.386 1.00 0.00 C ATOM 24 CG GLN A 3 -12.727 3.996 1.874 1.00 0.00 C ATOM 25 CD GLN A 3 -12.021 4.811 2.941 1.00 0.00 C ATOM 26 OE1 GLN A 3 -10.875 5.198 2.765 1.00 0.00 O ATOM 27 NE2 GLN A 3 -12.693 5.065 4.060 1.00 0.00 N ATOM 0 H GLN A 3 -16.265 5.274 0.333 1.00 0.00 H new ATOM 0 HA GLN A 3 -14.161 3.265 -0.172 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.670 5.611 0.815 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -14.546 5.081 2.236 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.009 3.023 2.276 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.051 3.812 1.039 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -13.648 4.725 4.170 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -12.253 5.600 4.809 1.00 0.00 H new ATOM 36 N GLN A 4 -14.914 1.698 1.709 1.00 0.00 N ATOM 37 CA GLN A 4 -15.311 0.668 2.654 1.00 0.00 C ATOM 38 C GLN A 4 -14.003 -0.036 3.027 1.00 0.00 C ATOM 39 O GLN A 4 -12.996 0.173 2.345 1.00 0.00 O ATOM 40 CB GLN A 4 -16.282 -0.329 2.008 1.00 0.00 C ATOM 41 CG GLN A 4 -17.607 0.293 1.566 1.00 0.00 C ATOM 42 CD GLN A 4 -18.600 0.440 2.709 1.00 0.00 C ATOM 43 OE1 GLN A 4 -18.927 -0.656 3.385 1.00 0.00 O flip ATOM 44 NE2 GLN A 4 -19.099 1.533 2.971 1.00 0.00 N flip ATOM 0 H GLN A 4 -14.031 1.468 1.252 1.00 0.00 H new ATOM 0 HA GLN A 4 -15.827 1.086 3.518 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -15.799 -0.783 1.143 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -16.487 -1.132 2.716 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -17.415 1.273 1.129 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.049 -0.324 0.784 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -18.829 2.358 2.436 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -19.782 1.614 3.724 1.00 0.00 H new ATOM 53 N LYS A 5 -13.984 -0.850 4.081 1.00 0.00 N ATOM 54 CA LYS A 5 -12.807 -1.608 4.451 1.00 0.00 C ATOM 55 C LYS A 5 -13.189 -2.912 5.144 1.00 0.00 C ATOM 56 O LYS A 5 -14.266 -3.018 5.729 1.00 0.00 O ATOM 57 CB LYS A 5 -11.912 -0.755 5.344 1.00 0.00 C ATOM 58 CG LYS A 5 -12.669 -0.022 6.457 1.00 0.00 C ATOM 59 CD LYS A 5 -13.265 -1.005 7.466 1.00 0.00 C ATOM 60 CE LYS A 5 -13.817 -0.249 8.672 1.00 0.00 C ATOM 61 NZ LYS A 5 -14.229 -1.182 9.735 1.00 0.00 N ATOM 0 H LYS A 5 -14.785 -0.997 4.696 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.258 -1.871 3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.150 -1.392 5.794 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.392 -0.022 4.727 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.993 0.663 6.969 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.465 0.582 6.021 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -14.059 -1.584 6.995 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.502 -1.714 7.789 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.059 0.434 9.056 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.668 0.359 8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.753 -0.663 10.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.839 -1.921 9.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.386 -1.621 10.157 1.00 0.00 H new ATOM 75 N VAL A 6 -12.290 -3.890 5.076 1.00 0.00 N ATOM 76 CA VAL A 6 -12.392 -5.179 5.728 1.00 0.00 C ATOM 77 C VAL A 6 -11.067 -5.343 6.460 1.00 0.00 C ATOM 78 O VAL A 6 -10.013 -5.205 5.849 1.00 0.00 O ATOM 79 CB VAL A 6 -12.579 -6.273 4.676 1.00 0.00 C ATOM 80 CG1 VAL A 6 -12.695 -7.636 5.354 1.00 0.00 C ATOM 81 CG2 VAL A 6 -13.836 -6.013 3.848 1.00 0.00 C ATOM 0 H VAL A 6 -11.430 -3.794 4.536 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.240 -5.248 6.409 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.711 -6.265 4.017 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -12.828 -8.409 4.597 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.787 -7.838 5.923 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -13.553 -7.636 6.027 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -13.952 -6.802 3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.707 -6.001 4.503 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -13.747 -5.050 3.344 1.00 0.00 H new ATOM 91 N GLU A 7 -11.070 -5.568 7.767 1.00 0.00 N ATOM 92 CA GLU A 7 -9.787 -5.638 8.444 1.00 0.00 C ATOM 93 C GLU A 7 -9.108 -6.993 8.276 1.00 0.00 C ATOM 94 O GLU A 7 -9.760 -8.022 8.089 1.00 0.00 O ATOM 95 CB GLU A 7 -9.953 -5.216 9.902 1.00 0.00 C ATOM 96 CG GLU A 7 -10.524 -3.797 9.912 1.00 0.00 C ATOM 97 CD GLU A 7 -11.093 -3.401 11.263 1.00 0.00 C ATOM 98 OE1 GLU A 7 -10.476 -3.785 12.280 1.00 0.00 O ATOM 99 OE2 GLU A 7 -12.148 -2.731 11.245 1.00 0.00 O ATOM 0 H GLU A 7 -11.896 -5.698 8.351 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.103 -4.933 7.971 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.621 -5.901 10.425 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.995 -5.247 10.421 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.740 -3.093 9.633 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.306 -3.720 9.157 1.00 0.00 H new ATOM 106 N VAL A 8 -7.777 -6.975 8.306 1.00 0.00 N ATOM 107 CA VAL A 8 -6.990 -8.161 8.052 1.00 0.00 C ATOM 108 C VAL A 8 -5.767 -8.226 8.950 1.00 0.00 C ATOM 109 O VAL A 8 -5.173 -7.197 9.265 1.00 0.00 O ATOM 110 CB VAL A 8 -6.523 -8.165 6.582 1.00 0.00 C ATOM 111 CG1 VAL A 8 -7.422 -7.299 5.703 1.00 0.00 C ATOM 112 CG2 VAL A 8 -5.092 -7.650 6.417 1.00 0.00 C ATOM 0 H VAL A 8 -7.225 -6.141 8.506 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.620 -9.026 8.260 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.573 -9.209 6.272 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.061 -7.327 4.675 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.443 -7.680 5.740 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.405 -6.271 6.066 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.816 -7.675 5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.029 -6.626 6.785 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.410 -8.282 6.986 1.00 0.00 H new ATOM 122 N ARG A 9 -5.346 -9.431 9.319 1.00 0.00 N ATOM 123 CA ARG A 9 -4.039 -9.561 9.932 1.00 0.00 C ATOM 124 C ARG A 9 -3.096 -9.659 8.748 1.00 0.00 C ATOM 125 O ARG A 9 -3.076 -10.677 8.065 1.00 0.00 O ATOM 126 CB ARG A 9 -3.950 -10.818 10.778 1.00 0.00 C ATOM 127 CG ARG A 9 -2.572 -10.973 11.419 1.00 0.00 C ATOM 128 CD ARG A 9 -2.316 -12.464 11.623 1.00 0.00 C ATOM 129 NE ARG A 9 -2.036 -13.125 10.339 1.00 0.00 N ATOM 130 CZ ARG A 9 -2.960 -13.594 9.486 1.00 0.00 C ATOM 131 NH1 ARG A 9 -4.259 -13.590 9.801 1.00 0.00 N ATOM 132 NH2 ARG A 9 -2.581 -14.067 8.295 1.00 0.00 N ATOM 0 H ARG A 9 -5.871 -10.299 9.209 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.810 -8.731 10.600 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.712 -10.787 11.557 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -4.163 -11.689 10.158 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.803 -10.537 10.781 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.533 -10.445 12.372 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.474 -12.604 12.301 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.184 -12.926 12.094 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.057 -13.236 10.075 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.564 -13.226 10.704 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.946 -13.951 9.139 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.594 -14.070 8.038 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.279 -14.425 7.643 1.00 0.00 H new ATOM 146 N LEU A 10 -2.390 -8.568 8.475 1.00 0.00 N ATOM 147 CA LEU A 10 -1.470 -8.376 7.371 1.00 0.00 C ATOM 148 C LEU A 10 -0.512 -9.552 7.175 1.00 0.00 C ATOM 149 O LEU A 10 0.622 -9.518 7.637 1.00 0.00 O ATOM 150 CB LEU A 10 -0.738 -7.071 7.671 1.00 0.00 C ATOM 151 CG LEU A 10 0.118 -6.554 6.525 1.00 0.00 C ATOM 152 CD1 LEU A 10 -0.625 -6.618 5.195 1.00 0.00 C ATOM 153 CD2 LEU A 10 0.414 -5.105 6.880 1.00 0.00 C ATOM 0 H LEU A 10 -2.453 -7.738 9.064 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.008 -8.323 6.424 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.472 -6.309 7.933 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.104 -7.217 8.545 1.00 0.00 H new ATOM 0 HG LEU A 10 1.019 -7.155 6.404 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.018 -6.240 4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.899 -7.651 4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.527 -6.008 5.252 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.030 -4.658 6.100 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.522 -4.553 6.965 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.946 -5.065 7.830 1.00 0.00 H new ATOM 165 N LYS A 11 -0.943 -10.578 6.451 1.00 0.00 N ATOM 166 CA LYS A 11 -0.178 -11.778 6.187 1.00 0.00 C ATOM 167 C LYS A 11 0.912 -11.444 5.184 1.00 0.00 C ATOM 168 O LYS A 11 2.061 -11.815 5.399 1.00 0.00 O ATOM 169 CB LYS A 11 -1.130 -12.872 5.688 1.00 0.00 C ATOM 170 CG LYS A 11 -0.435 -13.959 4.872 1.00 0.00 C ATOM 171 CD LYS A 11 -0.328 -13.487 3.421 1.00 0.00 C ATOM 172 CE LYS A 11 -1.686 -12.946 3.000 1.00 0.00 C ATOM 173 NZ LYS A 11 -1.627 -12.317 1.678 1.00 0.00 N ATOM 0 H LYS A 11 -1.867 -10.592 6.019 1.00 0.00 H new ATOM 0 HA LYS A 11 0.306 -12.155 7.088 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.623 -13.331 6.544 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.909 -12.414 5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.556 -14.161 5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.998 -14.891 4.926 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.435 -12.715 3.327 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.029 -14.311 2.773 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.414 -13.757 2.986 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.033 -12.219 3.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.590 -12.220 1.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.190 -11.377 1.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.059 -12.908 1.038 1.00 0.00 H new ATOM 187 N THR A 12 0.555 -10.750 4.099 1.00 0.00 N ATOM 188 CA THR A 12 1.511 -10.344 3.084 1.00 0.00 C ATOM 189 C THR A 12 2.671 -9.594 3.735 1.00 0.00 C ATOM 190 O THR A 12 3.845 -9.810 3.444 1.00 0.00 O ATOM 191 CB THR A 12 0.844 -9.350 2.128 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.509 -9.676 1.897 1.00 0.00 O ATOM 193 CG2 THR A 12 1.597 -9.260 0.804 1.00 0.00 C ATOM 0 H THR A 12 -0.403 -10.458 3.907 1.00 0.00 H new ATOM 0 HA THR A 12 1.858 -11.237 2.564 1.00 0.00 H new ATOM 0 HB THR A 12 0.880 -8.374 2.612 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.813 -9.243 1.072 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.097 -8.546 0.149 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.619 -8.929 0.988 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.613 -10.240 0.327 1.00 0.00 H new ATOM 201 N GLY A 13 2.290 -8.625 4.576 1.00 0.00 N ATOM 202 CA GLY A 13 3.214 -7.666 5.163 1.00 0.00 C ATOM 203 C GLY A 13 3.939 -6.898 4.062 1.00 0.00 C ATOM 204 O GLY A 13 5.045 -6.415 4.267 1.00 0.00 O ATOM 0 H GLY A 13 1.322 -8.489 4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.671 -6.972 5.805 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.937 -8.184 5.793 1.00 0.00 H new ATOM 208 N LEU A 14 3.341 -6.879 2.871 1.00 0.00 N ATOM 209 CA LEU A 14 3.730 -6.135 1.693 1.00 0.00 C ATOM 210 C LEU A 14 5.237 -6.080 1.544 1.00 0.00 C ATOM 211 O LEU A 14 5.864 -5.033 1.691 1.00 0.00 O ATOM 212 CB LEU A 14 3.047 -4.786 1.658 1.00 0.00 C ATOM 213 CG LEU A 14 1.518 -4.915 1.532 1.00 0.00 C ATOM 214 CD1 LEU A 14 1.014 -4.062 0.377 1.00 0.00 C ATOM 215 CD2 LEU A 14 1.001 -6.325 1.266 1.00 0.00 C ATOM 0 H LEU A 14 2.502 -7.434 2.701 1.00 0.00 H new ATOM 0 HA LEU A 14 3.380 -6.664 0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.290 -4.233 2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.432 -4.207 0.819 1.00 0.00 H new ATOM 0 HG LEU A 14 1.149 -4.595 2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.069 -4.161 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.271 -3.018 0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.478 -4.395 -0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.086 -6.306 1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.420 -6.696 0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.300 -6.982 2.083 1.00 0.00 H new ATOM 227 N GLN A 15 5.800 -7.243 1.271 1.00 0.00 N ATOM 228 CA GLN A 15 7.240 -7.388 1.232 1.00 0.00 C ATOM 229 C GLN A 15 7.802 -7.074 -0.144 1.00 0.00 C ATOM 230 O GLN A 15 8.496 -6.075 -0.313 1.00 0.00 O ATOM 231 CB GLN A 15 7.622 -8.791 1.692 1.00 0.00 C ATOM 232 CG GLN A 15 7.216 -8.994 3.152 1.00 0.00 C ATOM 233 CD GLN A 15 8.158 -8.247 4.082 1.00 0.00 C ATOM 234 OE1 GLN A 15 9.278 -8.692 4.317 1.00 0.00 O ATOM 235 NE2 GLN A 15 7.729 -7.118 4.627 1.00 0.00 N ATOM 0 H GLN A 15 5.281 -8.099 1.074 1.00 0.00 H new ATOM 0 HA GLN A 15 7.683 -6.663 1.915 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.132 -9.534 1.063 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.696 -8.939 1.581 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.195 -8.643 3.303 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.227 -10.057 3.393 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.794 -6.772 4.414 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.334 -6.595 5.260 1.00 0.00 H new ATOM 244 N ALA A 16 7.535 -7.926 -1.131 1.00 0.00 N ATOM 245 CA ALA A 16 8.109 -7.709 -2.442 1.00 0.00 C ATOM 246 C ALA A 16 7.198 -8.112 -3.593 1.00 0.00 C ATOM 247 O ALA A 16 7.313 -7.542 -4.674 1.00 0.00 O ATOM 248 CB ALA A 16 9.427 -8.474 -2.529 1.00 0.00 C ATOM 0 H ALA A 16 6.940 -8.750 -1.046 1.00 0.00 H new ATOM 0 HA ALA A 16 8.263 -6.635 -2.551 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.873 -8.321 -3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.110 -8.111 -1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.241 -9.537 -2.377 1.00 0.00 H new ATOM 254 N ARG A 17 6.313 -9.095 -3.414 1.00 0.00 N ATOM 255 CA ARG A 17 5.536 -9.530 -4.564 1.00 0.00 C ATOM 256 C ARG A 17 4.033 -9.420 -4.344 1.00 0.00 C ATOM 257 O ARG A 17 3.388 -8.540 -4.918 1.00 0.00 O ATOM 258 CB ARG A 17 5.953 -10.947 -4.963 1.00 0.00 C ATOM 259 CG ARG A 17 7.460 -10.976 -5.200 1.00 0.00 C ATOM 260 CD ARG A 17 7.994 -12.412 -5.198 1.00 0.00 C ATOM 261 NE ARG A 17 7.424 -13.249 -4.127 1.00 0.00 N ATOM 262 CZ ARG A 17 7.307 -12.923 -2.830 1.00 0.00 C ATOM 263 NH1 ARG A 17 7.711 -11.733 -2.385 1.00 0.00 N ATOM 264 NH2 ARG A 17 6.781 -13.810 -1.978 1.00 0.00 N ATOM 0 H ARG A 17 6.126 -9.578 -2.535 1.00 0.00 H new ATOM 0 HA ARG A 17 5.756 -8.852 -5.388 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.682 -11.654 -4.179 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.424 -11.254 -5.865 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.690 -10.501 -6.154 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.964 -10.397 -4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.779 -12.873 -6.162 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.079 -12.388 -5.091 1.00 0.00 H new ATOM 0 HE ARG A 17 7.083 -14.171 -4.399 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.115 -11.057 -3.033 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.616 -11.499 -1.397 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.474 -14.722 -2.316 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.687 -13.574 -0.990 1.00 0.00 H new ATOM 278 N PRO A 18 3.455 -10.304 -3.522 1.00 0.00 N ATOM 279 CA PRO A 18 2.033 -10.339 -3.259 1.00 0.00 C ATOM 280 C PRO A 18 1.540 -9.041 -2.653 1.00 0.00 C ATOM 281 O PRO A 18 0.357 -8.752 -2.769 1.00 0.00 O ATOM 282 CB PRO A 18 1.807 -11.498 -2.305 1.00 0.00 C ATOM 283 CG PRO A 18 3.099 -11.411 -1.513 1.00 0.00 C ATOM 284 CD PRO A 18 4.130 -11.202 -2.616 1.00 0.00 C ATOM 0 HA PRO A 18 1.476 -10.468 -4.187 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.922 -11.364 -1.683 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.693 -12.451 -2.821 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.088 -10.584 -0.802 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.290 -12.320 -0.942 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.052 -10.768 -2.230 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.398 -12.140 -3.102 1.00 0.00 H new ATOM 292 N ALA A 19 2.398 -8.261 -2.003 1.00 0.00 N ATOM 293 CA ALA A 19 2.018 -6.949 -1.534 1.00 0.00 C ATOM 294 C ALA A 19 1.490 -6.085 -2.674 1.00 0.00 C ATOM 295 O ALA A 19 0.374 -5.572 -2.615 1.00 0.00 O ATOM 296 CB ALA A 19 3.277 -6.298 -1.011 1.00 0.00 C ATOM 0 H ALA A 19 3.361 -8.523 -1.793 1.00 0.00 H new ATOM 0 HA ALA A 19 1.238 -7.042 -0.779 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.044 -5.299 -0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.686 -6.898 -0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.010 -6.227 -1.814 1.00 0.00 H new ATOM 302 N ALA A 20 2.315 -5.913 -3.707 1.00 0.00 N ATOM 303 CA ALA A 20 1.952 -5.120 -4.870 1.00 0.00 C ATOM 304 C ALA A 20 0.914 -5.868 -5.686 1.00 0.00 C ATOM 305 O ALA A 20 0.071 -5.241 -6.314 1.00 0.00 O ATOM 306 CB ALA A 20 3.196 -4.819 -5.699 1.00 0.00 C ATOM 0 H ALA A 20 3.249 -6.320 -3.756 1.00 0.00 H new ATOM 0 HA ALA A 20 1.521 -4.170 -4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.918 -4.225 -6.569 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.911 -4.263 -5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.649 -5.754 -6.028 1.00 0.00 H new ATOM 312 N LEU A 21 0.957 -7.202 -5.686 1.00 0.00 N ATOM 313 CA LEU A 21 -0.087 -7.971 -6.350 1.00 0.00 C ATOM 314 C LEU A 21 -1.432 -7.632 -5.691 1.00 0.00 C ATOM 315 O LEU A 21 -2.432 -7.417 -6.367 1.00 0.00 O ATOM 316 CB LEU A 21 0.260 -9.459 -6.292 1.00 0.00 C ATOM 317 CG LEU A 21 -0.553 -10.282 -7.294 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.025 -10.351 -6.899 1.00 0.00 C ATOM 319 CD2 LEU A 21 -0.427 -9.671 -8.687 1.00 0.00 C ATOM 0 H LEU A 21 1.688 -7.759 -5.243 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.165 -7.714 -7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.323 -9.591 -6.494 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.078 -9.834 -5.285 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.154 -11.296 -7.295 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.571 -10.943 -7.633 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.117 -10.815 -5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.440 -9.344 -6.864 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.007 -10.260 -9.397 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.804 -8.648 -8.671 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.620 -9.667 -8.989 1.00 0.00 H new ATOM 331 N PHE A 22 -1.423 -7.530 -4.363 1.00 0.00 N ATOM 332 CA PHE A 22 -2.528 -7.112 -3.526 1.00 0.00 C ATOM 333 C PHE A 22 -2.978 -5.735 -4.001 1.00 0.00 C ATOM 334 O PHE A 22 -4.120 -5.580 -4.437 1.00 0.00 O ATOM 335 CB PHE A 22 -2.020 -7.078 -2.079 1.00 0.00 C ATOM 336 CG PHE A 22 -2.637 -6.029 -1.187 1.00 0.00 C ATOM 337 CD1 PHE A 22 -4.021 -6.017 -0.943 1.00 0.00 C ATOM 338 CD2 PHE A 22 -1.851 -4.921 -0.829 1.00 0.00 C ATOM 339 CE1 PHE A 22 -4.601 -4.923 -0.280 1.00 0.00 C ATOM 340 CE2 PHE A 22 -2.434 -3.820 -0.180 1.00 0.00 C ATOM 341 CZ PHE A 22 -3.808 -3.832 0.112 1.00 0.00 C ATOM 0 H PHE A 22 -0.590 -7.752 -3.817 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.379 -7.790 -3.583 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.194 -8.056 -1.631 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.941 -6.923 -2.097 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.636 -6.845 -1.264 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.795 -4.916 -1.054 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.661 -4.921 -0.071 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.829 -2.968 0.093 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.255 -3.002 0.638 1.00 0.00 H new ATOM 351 N VAL A 23 -2.064 -4.757 -3.953 1.00 0.00 N ATOM 352 CA VAL A 23 -2.379 -3.401 -4.357 1.00 0.00 C ATOM 353 C VAL A 23 -3.023 -3.411 -5.739 1.00 0.00 C ATOM 354 O VAL A 23 -4.036 -2.750 -5.940 1.00 0.00 O ATOM 355 CB VAL A 23 -1.148 -2.482 -4.330 1.00 0.00 C ATOM 356 CG1 VAL A 23 -0.143 -2.770 -3.218 1.00 0.00 C ATOM 357 CG2 VAL A 23 -0.516 -2.381 -5.713 1.00 0.00 C ATOM 0 H VAL A 23 -1.103 -4.890 -3.637 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.086 -2.993 -3.634 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.521 -1.494 -4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.687 -2.067 -3.287 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.631 -2.661 -2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.233 -3.788 -3.322 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.353 -1.725 -5.669 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.206 -3.372 -6.045 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.242 -1.973 -6.416 1.00 0.00 H new ATOM 367 N GLN A 24 -2.447 -4.165 -6.680 1.00 0.00 N ATOM 368 CA GLN A 24 -2.913 -4.231 -8.048 1.00 0.00 C ATOM 369 C GLN A 24 -4.247 -4.954 -8.164 1.00 0.00 C ATOM 370 O GLN A 24 -4.944 -4.710 -9.132 1.00 0.00 O ATOM 371 CB GLN A 24 -1.804 -4.710 -8.993 1.00 0.00 C ATOM 372 CG GLN A 24 -1.534 -6.211 -8.943 1.00 0.00 C ATOM 373 CD GLN A 24 -2.594 -6.973 -9.687 1.00 0.00 C ATOM 374 OE1 GLN A 24 -3.232 -7.860 -8.961 1.00 0.00 O flip ATOM 375 NE2 GLN A 24 -2.851 -6.753 -10.865 1.00 0.00 N flip ATOM 0 H GLN A 24 -1.632 -4.752 -6.499 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.142 -3.223 -8.392 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.070 -4.435 -10.014 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.883 -4.180 -8.750 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.557 -6.423 -9.376 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.502 -6.544 -7.906 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.321 -6.050 -11.380 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.595 -7.273 -11.330 1.00 0.00 H new ATOM 384 N GLU A 25 -4.640 -5.805 -7.215 1.00 0.00 N ATOM 385 CA GLU A 25 -5.977 -6.382 -7.231 1.00 0.00 C ATOM 386 C GLU A 25 -6.945 -5.292 -6.826 1.00 0.00 C ATOM 387 O GLU A 25 -7.972 -5.104 -7.467 1.00 0.00 O ATOM 388 CB GLU A 25 -6.073 -7.511 -6.209 1.00 0.00 C ATOM 389 CG GLU A 25 -5.163 -8.670 -6.579 1.00 0.00 C ATOM 390 CD GLU A 25 -5.805 -9.540 -7.647 1.00 0.00 C ATOM 391 OE1 GLU A 25 -6.547 -10.463 -7.251 1.00 0.00 O ATOM 392 OE2 GLU A 25 -5.564 -9.259 -8.842 1.00 0.00 O ATOM 0 H GLU A 25 -4.055 -6.105 -6.435 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.202 -6.776 -8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.803 -7.135 -5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.103 -7.861 -6.146 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.208 -8.288 -6.940 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.952 -9.270 -5.694 1.00 0.00 H new ATOM 399 N ALA A 26 -6.600 -4.563 -5.766 1.00 0.00 N ATOM 400 CA ALA A 26 -7.371 -3.398 -5.356 1.00 0.00 C ATOM 401 C ALA A 26 -7.540 -2.477 -6.570 1.00 0.00 C ATOM 402 O ALA A 26 -8.653 -2.102 -6.942 1.00 0.00 O ATOM 403 CB ALA A 26 -6.607 -2.689 -4.243 1.00 0.00 C ATOM 0 H ALA A 26 -5.791 -4.761 -5.177 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.357 -3.682 -4.988 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.167 -1.811 -3.919 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.478 -3.368 -3.400 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.629 -2.380 -4.613 1.00 0.00 H new ATOM 409 N ASN A 27 -6.400 -2.196 -7.205 1.00 0.00 N ATOM 410 CA ASN A 27 -6.229 -1.416 -8.418 1.00 0.00 C ATOM 411 C ASN A 27 -7.125 -1.937 -9.521 1.00 0.00 C ATOM 412 O ASN A 27 -7.793 -1.183 -10.221 1.00 0.00 O ATOM 413 CB ASN A 27 -4.811 -1.676 -8.916 1.00 0.00 C ATOM 414 CG ASN A 27 -3.864 -0.534 -8.576 1.00 0.00 C ATOM 415 OD1 ASN A 27 -3.469 0.238 -9.440 1.00 0.00 O ATOM 416 ND2 ASN A 27 -3.487 -0.431 -7.306 1.00 0.00 N ATOM 0 H ASN A 27 -5.507 -2.538 -6.851 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.448 -0.371 -8.199 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.437 -2.600 -8.475 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.828 -1.822 -9.996 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.847 0.311 -7.023 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.838 -1.094 -6.615 1.00 0.00 H new ATOM 423 N ARG A 28 -7.091 -3.262 -9.648 1.00 0.00 N ATOM 424 CA ARG A 28 -7.784 -4.097 -10.605 1.00 0.00 C ATOM 425 C ARG A 28 -9.265 -3.755 -10.671 1.00 0.00 C ATOM 426 O ARG A 28 -9.903 -3.979 -11.696 1.00 0.00 O ATOM 427 CB ARG A 28 -7.525 -5.540 -10.183 1.00 0.00 C ATOM 428 CG ARG A 28 -6.424 -6.125 -11.059 1.00 0.00 C ATOM 429 CD ARG A 28 -6.508 -7.648 -11.016 1.00 0.00 C ATOM 430 NE ARG A 28 -7.809 -8.114 -11.509 1.00 0.00 N ATOM 431 CZ ARG A 28 -8.296 -9.340 -11.283 1.00 0.00 C ATOM 432 NH1 ARG A 28 -7.620 -10.202 -10.515 1.00 0.00 N ATOM 433 NH2 ARG A 28 -9.461 -9.700 -11.831 1.00 0.00 N ATOM 0 H ARG A 28 -6.519 -3.825 -9.018 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.416 -3.934 -11.618 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.231 -5.578 -9.134 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.436 -6.130 -10.280 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.532 -5.771 -12.084 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.447 -5.792 -10.708 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.710 -8.078 -11.621 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.356 -7.996 -9.994 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.375 -7.466 -12.056 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.730 -9.926 -10.099 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.994 -11.136 -10.345 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.974 -9.042 -12.418 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.837 -10.633 -11.662 1.00 0.00 H new ATOM 447 N PHE A 29 -9.804 -3.214 -9.581 1.00 0.00 N ATOM 448 CA PHE A 29 -11.137 -2.676 -9.582 1.00 0.00 C ATOM 449 C PHE A 29 -11.068 -1.288 -10.216 1.00 0.00 C ATOM 450 O PHE A 29 -11.173 -1.135 -11.429 1.00 0.00 O ATOM 451 CB PHE A 29 -11.612 -2.603 -8.134 1.00 0.00 C ATOM 452 CG PHE A 29 -11.728 -3.949 -7.479 1.00 0.00 C ATOM 453 CD1 PHE A 29 -12.766 -4.822 -7.836 1.00 0.00 C ATOM 454 CD2 PHE A 29 -10.716 -4.373 -6.602 1.00 0.00 C ATOM 455 CE1 PHE A 29 -12.858 -6.075 -7.213 1.00 0.00 C ATOM 456 CE2 PHE A 29 -10.812 -5.624 -5.978 1.00 0.00 C ATOM 457 CZ PHE A 29 -11.934 -6.435 -6.223 1.00 0.00 C ATOM 0 H PHE A 29 -9.323 -3.142 -8.685 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.836 -3.292 -10.148 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -10.918 -1.987 -7.562 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.582 -2.106 -8.101 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.488 -4.532 -8.584 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.865 -3.736 -6.409 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.641 -6.763 -7.496 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.030 -5.963 -5.314 1.00 0.00 H new ATOM 0 HZ PHE A 29 -12.084 -7.337 -5.647 1.00 0.00 H new ATOM 467 N THR A 30 -10.938 -0.273 -9.364 1.00 0.00 N ATOM 468 CA THR A 30 -10.820 1.133 -9.716 1.00 0.00 C ATOM 469 C THR A 30 -10.298 1.845 -8.471 1.00 0.00 C ATOM 470 O THR A 30 -9.271 2.517 -8.477 1.00 0.00 O ATOM 471 CB THR A 30 -12.195 1.693 -10.102 1.00 0.00 C ATOM 472 OG1 THR A 30 -13.183 1.213 -9.207 1.00 0.00 O ATOM 473 CG2 THR A 30 -12.575 1.297 -11.524 1.00 0.00 C ATOM 0 H THR A 30 -10.911 -0.422 -8.355 1.00 0.00 H new ATOM 0 HA THR A 30 -10.151 1.275 -10.565 1.00 0.00 H new ATOM 0 HB THR A 30 -12.138 2.780 -10.046 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.392 0.279 -9.420 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.554 1.709 -11.767 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.834 1.688 -12.221 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.609 0.210 -11.602 1.00 0.00 H new ATOM 481 N SER A 31 -11.086 1.652 -7.411 1.00 0.00 N ATOM 482 CA SER A 31 -10.988 2.128 -6.053 1.00 0.00 C ATOM 483 C SER A 31 -9.625 2.578 -5.554 1.00 0.00 C ATOM 484 O SER A 31 -8.611 1.894 -5.689 1.00 0.00 O ATOM 485 CB SER A 31 -11.543 1.028 -5.155 1.00 0.00 C ATOM 486 OG SER A 31 -12.750 0.519 -5.707 1.00 0.00 O ATOM 0 H SER A 31 -11.921 1.075 -7.515 1.00 0.00 H new ATOM 0 HA SER A 31 -11.559 3.056 -6.023 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.812 0.226 -5.053 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.727 1.421 -4.155 1.00 0.00 H new ATOM 0 HG SER A 31 -13.102 -0.188 -5.127 1.00 0.00 H new ATOM 492 N ASP A 32 -9.650 3.727 -4.882 1.00 0.00 N ATOM 493 CA ASP A 32 -8.490 4.234 -4.190 1.00 0.00 C ATOM 494 C ASP A 32 -8.439 3.440 -2.901 1.00 0.00 C ATOM 495 O ASP A 32 -9.184 3.691 -1.959 1.00 0.00 O ATOM 496 CB ASP A 32 -8.610 5.726 -3.931 1.00 0.00 C ATOM 497 CG ASP A 32 -7.236 6.311 -3.649 1.00 0.00 C ATOM 498 OD1 ASP A 32 -6.257 5.698 -4.131 1.00 0.00 O ATOM 499 OD2 ASP A 32 -7.196 7.360 -2.972 1.00 0.00 O ATOM 0 H ASP A 32 -10.475 4.322 -4.808 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.576 4.119 -4.773 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.055 6.220 -4.795 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.273 5.905 -3.084 1.00 0.00 H new ATOM 504 N VAL A 33 -7.646 2.387 -2.933 1.00 0.00 N ATOM 505 CA VAL A 33 -7.588 1.400 -1.887 1.00 0.00 C ATOM 506 C VAL A 33 -6.720 1.874 -0.740 1.00 0.00 C ATOM 507 O VAL A 33 -5.748 2.602 -0.943 1.00 0.00 O ATOM 508 CB VAL A 33 -7.142 0.108 -2.553 1.00 0.00 C ATOM 509 CG1 VAL A 33 -6.990 -1.050 -1.571 1.00 0.00 C ATOM 510 CG2 VAL A 33 -8.260 -0.139 -3.565 1.00 0.00 C ATOM 0 H VAL A 33 -7.011 2.195 -3.708 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.553 1.226 -1.411 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.152 0.184 -3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.670 -1.943 -2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.245 -0.793 -0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.946 -1.243 -1.085 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.054 -1.055 -4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.210 -0.238 -3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.314 0.700 -4.259 1.00 0.00 H new ATOM 520 N PHE A 34 -7.073 1.456 0.469 1.00 0.00 N ATOM 521 CA PHE A 34 -6.389 1.869 1.673 1.00 0.00 C ATOM 522 C PHE A 34 -6.123 0.683 2.581 1.00 0.00 C ATOM 523 O PHE A 34 -6.671 -0.395 2.390 1.00 0.00 O ATOM 524 CB PHE A 34 -7.175 2.977 2.374 1.00 0.00 C ATOM 525 CG PHE A 34 -7.306 4.219 1.520 1.00 0.00 C ATOM 526 CD1 PHE A 34 -6.144 4.878 1.088 1.00 0.00 C ATOM 527 CD2 PHE A 34 -8.565 4.715 1.149 1.00 0.00 C ATOM 528 CE1 PHE A 34 -6.234 5.983 0.224 1.00 0.00 C ATOM 529 CE2 PHE A 34 -8.661 5.833 0.304 1.00 0.00 C ATOM 530 CZ PHE A 34 -7.495 6.451 -0.179 1.00 0.00 C ATOM 0 H PHE A 34 -7.849 0.816 0.636 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.416 2.280 1.405 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.168 2.608 2.629 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.680 3.234 3.310 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.176 4.534 1.421 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.462 4.236 1.514 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.337 6.470 -0.128 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.631 6.218 0.026 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.569 7.286 -0.860 1.00 0.00 H new ATOM 540 N LEU A 35 -5.232 0.860 3.543 1.00 0.00 N ATOM 541 CA LEU A 35 -4.947 -0.156 4.533 1.00 0.00 C ATOM 542 C LEU A 35 -4.787 0.592 5.842 1.00 0.00 C ATOM 543 O LEU A 35 -3.946 1.483 5.915 1.00 0.00 O ATOM 544 CB LEU A 35 -3.703 -0.946 4.138 1.00 0.00 C ATOM 545 CG LEU A 35 -3.632 -2.209 4.988 1.00 0.00 C ATOM 546 CD1 LEU A 35 -4.907 -3.025 4.782 1.00 0.00 C ATOM 547 CD2 LEU A 35 -2.428 -3.044 4.566 1.00 0.00 C ATOM 0 H LEU A 35 -4.687 1.715 3.656 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.740 -0.899 4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.741 -1.205 3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.809 -0.341 4.286 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.533 -1.935 6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.862 -3.930 5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.771 -2.431 5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.999 -3.297 3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.380 -3.946 5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.527 -3.320 3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.516 -2.463 4.704 1.00 0.00 H new ATOM 559 N GLU A 36 -5.625 0.287 6.828 1.00 0.00 N ATOM 560 CA GLU A 36 -5.698 1.028 8.077 1.00 0.00 C ATOM 561 C GLU A 36 -5.270 0.130 9.231 1.00 0.00 C ATOM 562 O GLU A 36 -6.140 -0.453 9.880 1.00 0.00 O ATOM 563 CB GLU A 36 -7.144 1.470 8.307 1.00 0.00 C ATOM 564 CG GLU A 36 -7.827 1.940 7.030 1.00 0.00 C ATOM 565 CD GLU A 36 -9.268 2.311 7.328 1.00 0.00 C ATOM 566 OE1 GLU A 36 -10.087 1.373 7.431 1.00 0.00 O ATOM 567 OE2 GLU A 36 -9.518 3.530 7.435 1.00 0.00 O ATOM 0 H GLU A 36 -6.280 -0.493 6.779 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.040 1.895 8.025 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.709 0.641 8.732 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.161 2.276 9.040 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.298 2.799 6.618 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.792 1.153 6.277 1.00 0.00 H new ATOM 574 N LYS A 37 -3.965 0.007 9.481 1.00 0.00 N ATOM 575 CA LYS A 37 -3.356 -0.840 10.486 1.00 0.00 C ATOM 576 C LYS A 37 -3.931 -0.558 11.861 1.00 0.00 C ATOM 577 O LYS A 37 -3.426 0.322 12.558 1.00 0.00 O ATOM 578 CB LYS A 37 -1.881 -0.487 10.510 1.00 0.00 C ATOM 579 CG LYS A 37 -1.171 -0.707 9.190 1.00 0.00 C ATOM 580 CD LYS A 37 0.343 -0.711 9.405 1.00 0.00 C ATOM 581 CE LYS A 37 0.763 -1.586 10.589 1.00 0.00 C ATOM 582 NZ LYS A 37 0.705 -0.870 11.874 1.00 0.00 N ATOM 0 H LYS A 37 -3.270 0.532 8.950 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.537 -1.888 10.247 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.773 0.559 10.798 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.388 -1.082 11.279 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.487 -1.653 8.751 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.444 0.078 8.485 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.835 -1.069 8.500 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.686 0.310 9.572 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.115 -2.461 10.636 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.778 -1.949 10.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.363 -1.311 12.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.972 0.125 11.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.262 -0.917 12.254 1.00 0.00 H new ATOM 596 N ASP A 38 -5.004 -1.252 12.243 1.00 0.00 N ATOM 597 CA ASP A 38 -5.728 -0.958 13.467 1.00 0.00 C ATOM 598 C ASP A 38 -6.079 0.533 13.502 1.00 0.00 C ATOM 599 O ASP A 38 -6.115 1.142 14.568 1.00 0.00 O ATOM 600 CB ASP A 38 -4.877 -1.358 14.669 1.00 0.00 C ATOM 601 CG ASP A 38 -4.738 -2.872 14.770 1.00 0.00 C ATOM 602 OD1 ASP A 38 -5.651 -3.486 15.365 1.00 0.00 O ATOM 603 OD2 ASP A 38 -3.729 -3.392 14.247 1.00 0.00 O ATOM 0 H ASP A 38 -5.390 -2.031 11.710 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.656 -1.529 13.503 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.889 -0.905 14.585 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.329 -0.970 15.582 1.00 0.00 H new ATOM 608 N GLY A 39 -6.303 1.133 12.328 1.00 0.00 N ATOM 609 CA GLY A 39 -6.552 2.558 12.239 1.00 0.00 C ATOM 610 C GLY A 39 -5.482 3.285 11.416 1.00 0.00 C ATOM 611 O GLY A 39 -5.753 4.343 10.851 1.00 0.00 O ATOM 0 H GLY A 39 -6.315 0.646 11.432 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.530 2.726 11.789 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.586 2.982 13.243 1.00 0.00 H new ATOM 615 N LYS A 40 -4.272 2.724 11.304 1.00 0.00 N ATOM 616 CA LYS A 40 -3.170 3.343 10.585 1.00 0.00 C ATOM 617 C LYS A 40 -3.379 3.179 9.085 1.00 0.00 C ATOM 618 O LYS A 40 -2.766 2.315 8.462 1.00 0.00 O ATOM 619 CB LYS A 40 -1.863 2.687 11.024 1.00 0.00 C ATOM 620 CG LYS A 40 -1.746 2.673 12.548 1.00 0.00 C ATOM 621 CD LYS A 40 -0.353 2.193 12.948 1.00 0.00 C ATOM 622 CE LYS A 40 0.697 3.128 12.349 1.00 0.00 C ATOM 623 NZ LYS A 40 2.059 2.711 12.718 1.00 0.00 N ATOM 0 H LYS A 40 -4.036 1.821 11.716 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.127 4.409 10.809 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.817 1.667 10.642 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.018 3.226 10.595 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.926 3.671 12.946 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.505 2.017 12.975 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.261 2.173 14.034 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.192 1.174 12.596 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.600 3.139 11.263 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.520 4.146 12.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.749 3.365 12.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.158 2.724 13.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.235 1.748 12.366 1.00 0.00 H new ATOM 637 N LYS A 41 -4.293 3.969 8.529 1.00 0.00 N ATOM 638 CA LYS A 41 -4.683 3.881 7.138 1.00 0.00 C ATOM 639 C LYS A 41 -3.777 4.661 6.188 1.00 0.00 C ATOM 640 O LYS A 41 -3.368 5.789 6.453 1.00 0.00 O ATOM 641 CB LYS A 41 -6.148 4.294 7.042 1.00 0.00 C ATOM 642 CG LYS A 41 -6.666 4.415 5.610 1.00 0.00 C ATOM 643 CD LYS A 41 -6.374 5.833 5.117 1.00 0.00 C ATOM 644 CE LYS A 41 -7.222 6.152 3.891 1.00 0.00 C ATOM 645 NZ LYS A 41 -8.656 6.138 4.226 1.00 0.00 N ATOM 0 H LYS A 41 -4.787 4.697 9.046 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.563 2.851 6.801 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.756 3.565 7.577 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.279 5.251 7.547 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.181 3.681 4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.736 4.212 5.574 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.584 6.551 5.910 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.316 5.929 4.871 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.946 7.130 3.497 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.021 5.424 3.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.154 5.481 3.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.779 5.829 5.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.049 7.094 4.111 1.00 0.00 H new ATOM 659 N VAL A 42 -3.523 4.034 5.040 1.00 0.00 N ATOM 660 CA VAL A 42 -2.708 4.516 3.941 1.00 0.00 C ATOM 661 C VAL A 42 -3.297 4.038 2.618 1.00 0.00 C ATOM 662 O VAL A 42 -4.252 3.267 2.603 1.00 0.00 O ATOM 663 CB VAL A 42 -1.300 3.973 4.147 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.388 2.448 4.161 1.00 0.00 C ATOM 665 CG2 VAL A 42 -0.292 4.469 3.116 1.00 0.00 C ATOM 0 H VAL A 42 -3.912 3.111 4.846 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.682 5.605 3.913 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.920 4.348 5.097 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.393 2.027 4.307 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.040 2.129 4.974 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.794 2.098 3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.687 4.040 3.328 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.612 4.166 2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.229 5.556 3.162 1.00 0.00 H new ATOM 675 N ASN A 43 -2.726 4.486 1.501 1.00 0.00 N ATOM 676 CA ASN A 43 -3.179 4.157 0.157 1.00 0.00 C ATOM 677 C ASN A 43 -2.675 2.794 -0.265 1.00 0.00 C ATOM 678 O ASN A 43 -1.652 2.671 -0.934 1.00 0.00 O ATOM 679 CB ASN A 43 -2.722 5.246 -0.804 1.00 0.00 C ATOM 680 CG ASN A 43 -3.291 5.083 -2.206 1.00 0.00 C ATOM 681 OD1 ASN A 43 -2.628 5.420 -3.180 1.00 0.00 O ATOM 682 ND2 ASN A 43 -4.519 4.594 -2.339 1.00 0.00 N ATOM 0 H ASN A 43 -1.914 5.104 1.510 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.268 4.110 0.142 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.018 6.218 -0.409 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.633 5.241 -0.857 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.930 4.492 -3.267 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.051 4.320 -1.513 1.00 0.00 H new ATOM 689 N ALA A 44 -3.448 1.786 0.120 1.00 0.00 N ATOM 690 CA ALA A 44 -3.180 0.381 -0.080 1.00 0.00 C ATOM 691 C ALA A 44 -2.867 0.038 -1.522 1.00 0.00 C ATOM 692 O ALA A 44 -2.000 -0.788 -1.796 1.00 0.00 O ATOM 693 CB ALA A 44 -4.413 -0.413 0.327 1.00 0.00 C ATOM 0 H ALA A 44 -4.329 1.945 0.608 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.307 0.132 0.524 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.225 -1.477 0.181 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.637 -0.225 1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.261 -0.107 -0.285 1.00 0.00 H new ATOM 699 N LYS A 45 -3.608 0.656 -2.437 1.00 0.00 N ATOM 700 CA LYS A 45 -3.426 0.364 -3.845 1.00 0.00 C ATOM 701 C LYS A 45 -2.132 0.966 -4.390 1.00 0.00 C ATOM 702 O LYS A 45 -1.684 0.574 -5.466 1.00 0.00 O ATOM 703 CB LYS A 45 -4.639 0.846 -4.635 1.00 0.00 C ATOM 704 CG LYS A 45 -4.822 2.351 -4.463 1.00 0.00 C ATOM 705 CD LYS A 45 -5.807 2.853 -5.523 1.00 0.00 C ATOM 706 CE LYS A 45 -5.323 2.455 -6.915 1.00 0.00 C ATOM 707 NZ LYS A 45 -6.335 2.786 -7.933 1.00 0.00 N ATOM 0 H LYS A 45 -4.327 1.349 -2.229 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.339 -0.716 -3.960 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.512 0.607 -5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.533 0.323 -4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.197 2.574 -3.464 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.865 2.862 -4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.796 2.434 -5.339 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.903 3.937 -5.458 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.390 2.970 -7.142 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.111 1.386 -6.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.083 2.331 -8.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.266 2.444 -7.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.371 3.817 -8.064 1.00 0.00 H new ATOM 721 N SER A 46 -1.573 1.971 -3.715 1.00 0.00 N ATOM 722 CA SER A 46 -0.336 2.561 -4.169 1.00 0.00 C ATOM 723 C SER A 46 0.864 2.124 -3.327 1.00 0.00 C ATOM 724 O SER A 46 0.753 1.424 -2.318 1.00 0.00 O ATOM 725 CB SER A 46 -0.473 4.082 -4.230 1.00 0.00 C ATOM 726 OG SER A 46 0.600 4.642 -4.964 1.00 0.00 O ATOM 0 H SER A 46 -1.959 2.382 -2.865 1.00 0.00 H new ATOM 0 HA SER A 46 -0.138 2.194 -5.176 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.421 4.350 -4.696 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.486 4.494 -3.221 1.00 0.00 H new ATOM 0 HG SER A 46 0.500 5.616 -4.997 1.00 0.00 H new ATOM 732 N ILE A 47 2.019 2.625 -3.764 1.00 0.00 N ATOM 733 CA ILE A 47 3.331 2.492 -3.151 1.00 0.00 C ATOM 734 C ILE A 47 3.252 2.767 -1.659 1.00 0.00 C ATOM 735 O ILE A 47 3.712 1.973 -0.847 1.00 0.00 O ATOM 736 CB ILE A 47 4.297 3.484 -3.833 1.00 0.00 C ATOM 737 CG1 ILE A 47 5.530 3.841 -2.988 1.00 0.00 C ATOM 738 CG2 ILE A 47 3.617 4.798 -4.224 1.00 0.00 C ATOM 739 CD1 ILE A 47 5.219 4.942 -1.963 1.00 0.00 C ATOM 0 H ILE A 47 2.060 3.176 -4.622 1.00 0.00 H new ATOM 0 HA ILE A 47 3.696 1.474 -3.283 1.00 0.00 H new ATOM 0 HB ILE A 47 4.621 2.943 -4.722 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.885 2.951 -2.469 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.336 4.171 -3.643 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.344 5.457 -4.699 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.803 4.594 -4.920 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.219 5.281 -3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.116 5.166 -1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.889 5.841 -2.484 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.431 4.602 -1.291 1.00 0.00 H new ATOM 751 N MET A 48 2.683 3.919 -1.314 1.00 0.00 N ATOM 752 CA MET A 48 2.658 4.399 0.050 1.00 0.00 C ATOM 753 C MET A 48 1.933 3.435 0.980 1.00 0.00 C ATOM 754 O MET A 48 2.446 3.112 2.052 1.00 0.00 O ATOM 755 CB MET A 48 2.050 5.797 0.049 1.00 0.00 C ATOM 756 CG MET A 48 2.183 6.442 1.428 1.00 0.00 C ATOM 757 SD MET A 48 3.894 6.623 1.977 1.00 0.00 S ATOM 758 CE MET A 48 4.561 7.506 0.551 1.00 0.00 C ATOM 0 H MET A 48 2.227 4.542 -1.980 1.00 0.00 H new ATOM 0 HA MET A 48 3.673 4.456 0.444 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.548 6.416 -0.697 1.00 0.00 H new ATOM 0 HB3 MET A 48 0.999 5.742 -0.233 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.710 7.424 1.408 1.00 0.00 H new ATOM 0 HG3 MET A 48 1.638 5.841 2.156 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.265 8.266 0.890 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.074 6.803 -0.105 1.00 0.00 H new ATOM 0 HE3 MET A 48 3.747 7.983 0.005 1.00 0.00 H new ATOM 768 N GLY A 49 0.750 2.976 0.575 1.00 0.00 N ATOM 769 CA GLY A 49 -0.038 2.067 1.379 1.00 0.00 C ATOM 770 C GLY A 49 0.656 0.724 1.468 1.00 0.00 C ATOM 771 O GLY A 49 0.851 0.217 2.571 1.00 0.00 O ATOM 0 H GLY A 49 0.320 3.227 -0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.179 2.480 2.378 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.029 1.946 0.941 1.00 0.00 H new ATOM 775 N LEU A 50 1.033 0.178 0.307 1.00 0.00 N ATOM 776 CA LEU A 50 1.714 -1.087 0.179 1.00 0.00 C ATOM 777 C LEU A 50 2.933 -1.134 1.091 1.00 0.00 C ATOM 778 O LEU A 50 3.038 -1.985 1.966 1.00 0.00 O ATOM 779 CB LEU A 50 2.148 -1.211 -1.286 1.00 0.00 C ATOM 780 CG LEU A 50 2.467 -2.642 -1.712 1.00 0.00 C ATOM 781 CD1 LEU A 50 2.947 -2.634 -3.159 1.00 0.00 C ATOM 782 CD2 LEU A 50 3.555 -3.232 -0.828 1.00 0.00 C ATOM 0 H LEU A 50 0.861 0.630 -0.591 1.00 0.00 H new ATOM 0 HA LEU A 50 1.058 -1.908 0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.357 -0.819 -1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.027 -0.588 -1.449 1.00 0.00 H new ATOM 0 HG LEU A 50 1.567 -3.250 -1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.177 -3.653 -3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.165 -2.226 -3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.842 -2.018 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.769 -4.252 -1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.459 -2.629 -0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.218 -3.239 0.209 1.00 0.00 H new ATOM 794 N MET A 51 3.855 -0.208 0.866 1.00 0.00 N ATOM 795 CA MET A 51 5.132 -0.201 1.537 1.00 0.00 C ATOM 796 C MET A 51 5.065 0.273 2.985 1.00 0.00 C ATOM 797 O MET A 51 5.805 -0.239 3.817 1.00 0.00 O ATOM 798 CB MET A 51 6.084 0.680 0.732 1.00 0.00 C ATOM 799 CG MET A 51 7.487 0.665 1.334 1.00 0.00 C ATOM 800 SD MET A 51 8.613 1.863 0.585 1.00 0.00 S ATOM 801 CE MET A 51 7.638 3.356 0.862 1.00 0.00 C ATOM 0 H MET A 51 3.730 0.561 0.207 1.00 0.00 H new ATOM 0 HA MET A 51 5.488 -1.230 1.587 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.124 0.330 -0.300 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.706 1.702 0.708 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.416 0.866 2.403 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.909 -0.334 1.225 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.304 4.215 0.943 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.954 3.504 0.026 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.067 3.252 1.784 1.00 0.00 H new ATOM 811 N SER A 52 4.249 1.279 3.298 1.00 0.00 N ATOM 812 CA SER A 52 4.269 1.805 4.652 1.00 0.00 C ATOM 813 C SER A 52 3.443 0.971 5.622 1.00 0.00 C ATOM 814 O SER A 52 3.978 0.335 6.524 1.00 0.00 O ATOM 815 CB SER A 52 3.829 3.267 4.670 1.00 0.00 C ATOM 816 OG SER A 52 4.494 3.980 3.650 1.00 0.00 O ATOM 0 H SER A 52 3.593 1.728 2.659 1.00 0.00 H new ATOM 0 HA SER A 52 5.301 1.747 4.998 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.750 3.333 4.528 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.051 3.711 5.640 1.00 0.00 H new ATOM 0 HG SER A 52 3.987 3.906 2.815 1.00 0.00 H new ATOM 822 N LEU A 53 2.121 1.001 5.465 1.00 0.00 N ATOM 823 CA LEU A 53 1.247 0.319 6.400 1.00 0.00 C ATOM 824 C LEU A 53 1.174 -1.165 6.082 1.00 0.00 C ATOM 825 O LEU A 53 1.424 -2.002 6.950 1.00 0.00 O ATOM 826 CB LEU A 53 -0.132 0.950 6.391 1.00 0.00 C ATOM 827 CG LEU A 53 -0.096 2.294 7.119 1.00 0.00 C ATOM 828 CD1 LEU A 53 0.506 2.143 8.513 1.00 0.00 C ATOM 829 CD2 LEU A 53 0.696 3.349 6.349 1.00 0.00 C ATOM 0 H LEU A 53 1.642 1.486 4.706 1.00 0.00 H new ATOM 0 HA LEU A 53 1.661 0.424 7.403 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.469 1.092 5.364 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.849 0.285 6.873 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.131 2.628 7.197 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.520 3.113 9.010 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.096 1.446 9.096 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.524 1.763 8.430 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.692 4.286 6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.723 3.009 6.218 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.238 3.507 5.372 1.00 0.00 H new ATOM 841 N ALA A 54 0.861 -1.471 4.821 1.00 0.00 N ATOM 842 CA ALA A 54 0.691 -2.816 4.300 1.00 0.00 C ATOM 843 C ALA A 54 1.928 -3.696 4.498 1.00 0.00 C ATOM 844 O ALA A 54 1.811 -4.918 4.451 1.00 0.00 O ATOM 845 CB ALA A 54 0.281 -2.714 2.832 1.00 0.00 C ATOM 0 H ALA A 54 0.714 -0.754 4.111 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.095 -3.316 4.866 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.148 -3.715 2.421 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.656 -2.162 2.753 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.058 -2.192 2.273 1.00 0.00 H new ATOM 851 N VAL A 55 3.096 -3.110 4.763 1.00 0.00 N ATOM 852 CA VAL A 55 4.301 -3.873 5.038 1.00 0.00 C ATOM 853 C VAL A 55 4.293 -4.472 6.454 1.00 0.00 C ATOM 854 O VAL A 55 5.160 -5.267 6.817 1.00 0.00 O ATOM 855 CB VAL A 55 5.526 -2.987 4.815 1.00 0.00 C ATOM 856 CG1 VAL A 55 5.771 -2.080 6.020 1.00 0.00 C ATOM 857 CG2 VAL A 55 6.755 -3.862 4.586 1.00 0.00 C ATOM 0 H VAL A 55 3.227 -2.099 4.792 1.00 0.00 H new ATOM 0 HA VAL A 55 4.340 -4.716 4.348 1.00 0.00 H new ATOM 0 HB VAL A 55 5.343 -2.363 3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.648 -1.460 5.836 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.902 -1.442 6.178 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.938 -2.691 6.907 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.628 -3.229 4.427 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.919 -4.494 5.459 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.597 -4.489 3.708 1.00 0.00 H new ATOM 867 N SER A 56 3.319 -4.113 7.288 1.00 0.00 N ATOM 868 CA SER A 56 3.345 -4.573 8.660 1.00 0.00 C ATOM 869 C SER A 56 2.729 -5.952 8.848 1.00 0.00 C ATOM 870 O SER A 56 1.645 -6.074 9.420 1.00 0.00 O ATOM 871 CB SER A 56 2.670 -3.542 9.558 1.00 0.00 C ATOM 872 OG SER A 56 3.100 -2.237 9.218 1.00 0.00 O ATOM 0 H SER A 56 2.526 -3.521 7.041 1.00 0.00 H new ATOM 0 HA SER A 56 4.392 -4.679 8.945 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.587 -3.614 9.455 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.905 -3.749 10.602 1.00 0.00 H new ATOM 0 HG SER A 56 2.712 -1.979 8.356 1.00 0.00 H new ATOM 878 N THR A 57 3.419 -6.987 8.377 1.00 0.00 N ATOM 879 CA THR A 57 3.014 -8.365 8.575 1.00 0.00 C ATOM 880 C THR A 57 2.601 -8.640 10.025 1.00 0.00 C ATOM 881 O THR A 57 3.387 -8.445 10.950 1.00 0.00 O ATOM 882 CB THR A 57 4.174 -9.279 8.195 1.00 0.00 C ATOM 883 OG1 THR A 57 4.942 -8.703 7.155 1.00 0.00 O ATOM 884 CG2 THR A 57 3.581 -10.607 7.743 1.00 0.00 C ATOM 0 H THR A 57 4.282 -6.886 7.843 1.00 0.00 H new ATOM 0 HA THR A 57 2.146 -8.558 7.944 1.00 0.00 H new ATOM 0 HB THR A 57 4.836 -9.426 9.048 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.113 -9.376 6.464 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.385 -11.288 7.463 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.003 -11.044 8.558 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.930 -10.441 6.885 1.00 0.00 H new ATOM 892 N GLY A 58 1.363 -9.093 10.221 1.00 0.00 N ATOM 893 CA GLY A 58 0.823 -9.440 11.523 1.00 0.00 C ATOM 894 C GLY A 58 0.074 -8.289 12.193 1.00 0.00 C ATOM 895 O GLY A 58 -0.211 -8.364 13.385 1.00 0.00 O ATOM 0 H GLY A 58 0.699 -9.230 9.459 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.148 -10.289 11.414 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.637 -9.761 12.172 1.00 0.00 H new ATOM 899 N THR A 59 -0.264 -7.225 11.464 1.00 0.00 N ATOM 900 CA THR A 59 -1.049 -6.166 12.076 1.00 0.00 C ATOM 901 C THR A 59 -2.443 -6.169 11.458 1.00 0.00 C ATOM 902 O THR A 59 -2.591 -6.425 10.263 1.00 0.00 O ATOM 903 CB THR A 59 -0.323 -4.819 11.997 1.00 0.00 C ATOM 904 OG1 THR A 59 -0.100 -4.405 10.668 1.00 0.00 O ATOM 905 CG2 THR A 59 -1.123 -3.736 12.712 1.00 0.00 C ATOM 0 H THR A 59 -0.015 -7.080 10.485 1.00 0.00 H new ATOM 0 HA THR A 59 -1.170 -6.347 13.144 1.00 0.00 H new ATOM 0 HB THR A 59 0.643 -4.963 12.482 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.401 -5.098 10.189 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.591 -2.787 12.645 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.102 -3.637 12.243 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.249 -4.008 13.760 1.00 0.00 H new ATOM 913 N GLU A 60 -3.472 -5.924 12.270 1.00 0.00 N ATOM 914 CA GLU A 60 -4.845 -5.989 11.807 1.00 0.00 C ATOM 915 C GLU A 60 -5.207 -4.694 11.100 1.00 0.00 C ATOM 916 O GLU A 60 -5.853 -3.801 11.644 1.00 0.00 O ATOM 917 CB GLU A 60 -5.783 -6.315 12.964 1.00 0.00 C ATOM 918 CG GLU A 60 -5.112 -7.293 13.930 1.00 0.00 C ATOM 919 CD GLU A 60 -4.789 -8.614 13.251 1.00 0.00 C ATOM 920 OE1 GLU A 60 -5.745 -9.273 12.790 1.00 0.00 O ATOM 921 OE2 GLU A 60 -3.583 -8.934 13.193 1.00 0.00 O ATOM 0 H GLU A 60 -3.372 -5.678 13.255 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.955 -6.796 11.083 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.053 -5.400 13.491 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.707 -6.747 12.581 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.196 -6.850 14.320 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.768 -7.472 14.782 1.00 0.00 H new ATOM 928 N VAL A 61 -4.746 -4.591 9.866 1.00 0.00 N ATOM 929 CA VAL A 61 -4.941 -3.421 9.045 1.00 0.00 C ATOM 930 C VAL A 61 -6.224 -3.566 8.230 1.00 0.00 C ATOM 931 O VAL A 61 -6.515 -4.602 7.635 1.00 0.00 O ATOM 932 CB VAL A 61 -3.702 -3.225 8.178 1.00 0.00 C ATOM 933 CG1 VAL A 61 -2.436 -3.334 9.021 1.00 0.00 C ATOM 934 CG2 VAL A 61 -3.659 -4.368 7.191 1.00 0.00 C ATOM 0 H VAL A 61 -4.218 -5.332 9.404 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.064 -2.528 9.658 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.749 -2.247 7.699 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.562 -3.191 8.385 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.449 -2.569 9.797 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.391 -4.320 9.484 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.783 -4.263 6.550 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.602 -5.313 7.731 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.560 -4.354 6.578 1.00 0.00 H new ATOM 944 N THR A 62 -7.006 -2.501 8.213 1.00 0.00 N ATOM 945 CA THR A 62 -8.285 -2.430 7.549 1.00 0.00 C ATOM 946 C THR A 62 -8.087 -2.179 6.061 1.00 0.00 C ATOM 947 O THR A 62 -7.696 -1.080 5.674 1.00 0.00 O ATOM 948 CB THR A 62 -9.086 -1.301 8.194 1.00 0.00 C ATOM 949 OG1 THR A 62 -8.893 -1.274 9.598 1.00 0.00 O ATOM 950 CG2 THR A 62 -10.558 -1.558 7.921 1.00 0.00 C ATOM 0 H THR A 62 -6.753 -1.631 8.681 1.00 0.00 H new ATOM 0 HA THR A 62 -8.826 -3.370 7.654 1.00 0.00 H new ATOM 0 HB THR A 62 -8.756 -0.349 7.778 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.977 -0.988 9.797 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.155 -0.765 8.371 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.731 -1.576 6.845 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.846 -2.518 8.351 1.00 0.00 H new ATOM 958 N LEU A 63 -8.319 -3.182 5.221 1.00 0.00 N ATOM 959 CA LEU A 63 -8.185 -3.028 3.798 1.00 0.00 C ATOM 960 C LEU A 63 -9.437 -2.386 3.238 1.00 0.00 C ATOM 961 O LEU A 63 -10.515 -2.969 3.188 1.00 0.00 O ATOM 962 CB LEU A 63 -7.874 -4.383 3.177 1.00 0.00 C ATOM 963 CG LEU A 63 -7.491 -4.264 1.708 1.00 0.00 C ATOM 964 CD1 LEU A 63 -8.697 -3.942 0.829 1.00 0.00 C ATOM 965 CD2 LEU A 63 -6.434 -3.178 1.533 1.00 0.00 C ATOM 0 H LEU A 63 -8.603 -4.116 5.517 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.356 -2.364 3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.060 -4.855 3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.743 -5.034 3.273 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.093 -5.229 1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.379 -3.866 -0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.439 -4.735 0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.135 -2.995 1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.165 -3.099 0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.832 -2.224 1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.549 -3.434 2.115 1.00 0.00 H new ATOM 977 N ILE A 64 -9.249 -1.145 2.835 1.00 0.00 N ATOM 978 CA ILE A 64 -10.223 -0.265 2.266 1.00 0.00 C ATOM 979 C ILE A 64 -10.144 -0.290 0.757 1.00 0.00 C ATOM 980 O ILE A 64 -9.080 -0.474 0.175 1.00 0.00 O ATOM 981 CB ILE A 64 -9.861 1.143 2.723 1.00 0.00 C ATOM 982 CG1 ILE A 64 -10.203 1.272 4.197 1.00 0.00 C ATOM 983 CG2 ILE A 64 -10.609 2.199 1.917 1.00 0.00 C ATOM 984 CD1 ILE A 64 -10.172 2.747 4.575 1.00 0.00 C ATOM 0 H ILE A 64 -8.334 -0.700 2.908 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.224 -0.566 2.576 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.795 1.307 2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -11.189 0.851 4.395 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.490 0.711 4.801 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.328 3.192 2.268 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.352 2.101 0.862 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -11.683 2.060 2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -10.416 2.857 5.632 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.176 3.150 4.388 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -10.902 3.292 3.976 1.00 0.00 H new ATOM 996 N ALA A 65 -11.274 -0.023 0.125 1.00 0.00 N ATOM 997 CA ALA A 65 -11.320 0.209 -1.290 1.00 0.00 C ATOM 998 C ALA A 65 -12.264 1.371 -1.444 1.00 0.00 C ATOM 999 O ALA A 65 -13.456 1.262 -1.170 1.00 0.00 O ATOM 1000 CB ALA A 65 -11.779 -1.033 -2.023 1.00 0.00 C ATOM 0 H ALA A 65 -12.181 0.037 0.588 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.346 0.437 -1.723 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.806 -0.834 -3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.086 -1.850 -1.823 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.776 -1.310 -1.680 1.00 0.00 H new ATOM 1006 N GLN A 66 -11.701 2.512 -1.805 1.00 0.00 N ATOM 1007 CA GLN A 66 -12.468 3.715 -1.922 1.00 0.00 C ATOM 1008 C GLN A 66 -12.534 4.112 -3.383 1.00 0.00 C ATOM 1009 O GLN A 66 -11.908 5.074 -3.828 1.00 0.00 O ATOM 1010 CB GLN A 66 -11.797 4.749 -1.028 1.00 0.00 C ATOM 1011 CG GLN A 66 -12.601 6.033 -1.002 1.00 0.00 C ATOM 1012 CD GLN A 66 -11.664 7.212 -1.187 1.00 0.00 C ATOM 1013 OE1 GLN A 66 -11.479 8.015 -0.280 1.00 0.00 O ATOM 1014 NE2 GLN A 66 -11.044 7.300 -2.358 1.00 0.00 N ATOM 0 H GLN A 66 -10.710 2.618 -2.021 1.00 0.00 H new ATOM 0 HA GLN A 66 -13.502 3.603 -1.595 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.699 4.354 -0.017 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.789 4.952 -1.390 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -13.352 6.022 -1.792 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.135 6.123 -0.056 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.228 6.609 -3.086 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.384 8.058 -2.530 1.00 0.00 H new ATOM 1023 N GLY A 67 -13.252 3.302 -4.150 1.00 0.00 N ATOM 1024 CA GLY A 67 -13.476 3.535 -5.556 1.00 0.00 C ATOM 1025 C GLY A 67 -14.735 2.821 -6.019 1.00 0.00 C ATOM 1026 O GLY A 67 -15.537 2.355 -5.210 1.00 0.00 O ATOM 0 H GLY A 67 -13.698 2.454 -3.800 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.568 4.605 -5.743 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.619 3.183 -6.130 1.00 0.00 H new ATOM 1030 N GLU A 68 -14.865 2.683 -7.335 1.00 0.00 N ATOM 1031 CA GLU A 68 -16.043 2.122 -7.968 1.00 0.00 C ATOM 1032 C GLU A 68 -16.346 0.691 -7.543 1.00 0.00 C ATOM 1033 O GLU A 68 -17.494 0.270 -7.642 1.00 0.00 O ATOM 1034 CB GLU A 68 -15.877 2.189 -9.486 1.00 0.00 C ATOM 1035 CG GLU A 68 -15.470 3.596 -9.925 1.00 0.00 C ATOM 1036 CD GLU A 68 -16.502 4.636 -9.515 1.00 0.00 C ATOM 1037 OE1 GLU A 68 -17.626 4.563 -10.056 1.00 0.00 O ATOM 1038 OE2 GLU A 68 -16.144 5.477 -8.663 1.00 0.00 O ATOM 0 H GLU A 68 -14.141 2.963 -7.997 1.00 0.00 H new ATOM 0 HA GLU A 68 -16.893 2.721 -7.641 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.122 1.471 -9.806 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -16.811 1.907 -9.972 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.505 3.849 -9.486 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -15.343 3.617 -11.007 1.00 0.00 H new ATOM 1045 N ASP A 69 -15.356 -0.082 -7.089 1.00 0.00 N ATOM 1046 CA ASP A 69 -15.667 -1.432 -6.676 1.00 0.00 C ATOM 1047 C ASP A 69 -15.525 -1.529 -5.181 1.00 0.00 C ATOM 1048 O ASP A 69 -15.445 -2.649 -4.704 1.00 0.00 O ATOM 1049 CB ASP A 69 -14.730 -2.442 -7.331 1.00 0.00 C ATOM 1050 CG ASP A 69 -14.690 -2.329 -8.848 1.00 0.00 C ATOM 1051 OD1 ASP A 69 -14.003 -1.399 -9.330 1.00 0.00 O ATOM 1052 OD2 ASP A 69 -15.308 -3.201 -9.493 1.00 0.00 O ATOM 0 H ASP A 69 -14.378 0.196 -7.004 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.687 -1.661 -6.984 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.724 -2.303 -6.936 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.043 -3.449 -7.057 1.00 0.00 H new ATOM 1057 N GLU A 70 -15.600 -0.408 -4.452 1.00 0.00 N ATOM 1058 CA GLU A 70 -15.195 -0.288 -3.070 1.00 0.00 C ATOM 1059 C GLU A 70 -15.379 -1.555 -2.255 1.00 0.00 C ATOM 1060 O GLU A 70 -14.404 -2.291 -2.130 1.00 0.00 O ATOM 1061 CB GLU A 70 -15.914 0.920 -2.482 1.00 0.00 C ATOM 1062 CG GLU A 70 -17.415 0.983 -2.782 1.00 0.00 C ATOM 1063 CD GLU A 70 -18.258 0.908 -1.520 1.00 0.00 C ATOM 1064 OE1 GLU A 70 -18.359 1.940 -0.823 1.00 0.00 O ATOM 1065 OE2 GLU A 70 -18.776 -0.198 -1.262 1.00 0.00 O ATOM 0 H GLU A 70 -15.960 0.466 -4.835 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.117 -0.134 -3.029 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.774 0.918 -1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.443 1.826 -2.863 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -17.639 1.909 -3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -17.685 0.162 -3.446 1.00 0.00 H new ATOM 1072 N GLN A 71 -16.575 -1.841 -1.743 1.00 0.00 N ATOM 1073 CA GLN A 71 -16.856 -3.008 -0.923 1.00 0.00 C ATOM 1074 C GLN A 71 -16.234 -4.285 -1.492 1.00 0.00 C ATOM 1075 O GLN A 71 -15.616 -5.048 -0.752 1.00 0.00 O ATOM 1076 CB GLN A 71 -18.376 -3.119 -0.783 1.00 0.00 C ATOM 1077 CG GLN A 71 -18.799 -4.181 0.230 1.00 0.00 C ATOM 1078 CD GLN A 71 -18.086 -4.008 1.560 1.00 0.00 C ATOM 1079 OE1 GLN A 71 -16.944 -4.664 1.706 1.00 0.00 O flip ATOM 1080 NE2 GLN A 71 -18.540 -3.282 2.439 1.00 0.00 N flip ATOM 0 H GLN A 71 -17.393 -1.250 -1.893 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.399 -2.887 0.059 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -18.780 -2.153 -0.481 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -18.810 -3.356 -1.754 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -19.876 -4.126 0.385 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -18.585 -5.172 -0.171 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -19.423 -2.793 2.291 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -18.035 -3.168 3.318 1.00 0.00 H new ATOM 1089 N GLU A 72 -16.372 -4.483 -2.803 1.00 0.00 N ATOM 1090 CA GLU A 72 -15.855 -5.621 -3.535 1.00 0.00 C ATOM 1091 C GLU A 72 -14.328 -5.645 -3.458 1.00 0.00 C ATOM 1092 O GLU A 72 -13.718 -6.678 -3.174 1.00 0.00 O ATOM 1093 CB GLU A 72 -16.331 -5.414 -4.976 1.00 0.00 C ATOM 1094 CG GLU A 72 -15.488 -6.140 -6.019 1.00 0.00 C ATOM 1095 CD GLU A 72 -15.655 -7.653 -5.960 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -16.690 -8.097 -5.419 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -14.735 -8.334 -6.466 1.00 0.00 O ATOM 0 H GLU A 72 -16.869 -3.823 -3.401 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.203 -6.572 -3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.364 -5.753 -5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -16.327 -4.347 -5.199 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.763 -5.787 -7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.438 -5.888 -5.871 1.00 0.00 H new ATOM 1104 N ALA A 73 -13.729 -4.487 -3.727 1.00 0.00 N ATOM 1105 CA ALA A 73 -12.310 -4.279 -3.769 1.00 0.00 C ATOM 1106 C ALA A 73 -11.727 -4.597 -2.404 1.00 0.00 C ATOM 1107 O ALA A 73 -10.904 -5.497 -2.257 1.00 0.00 O ATOM 1108 CB ALA A 73 -12.106 -2.825 -4.192 1.00 0.00 C ATOM 0 H ALA A 73 -14.257 -3.638 -3.929 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.797 -4.929 -4.478 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.039 -2.607 -4.242 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.555 -2.665 -5.172 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.578 -2.165 -3.464 1.00 0.00 H new ATOM 1114 N LEU A 74 -12.198 -3.885 -1.386 1.00 0.00 N ATOM 1115 CA LEU A 74 -11.733 -4.075 -0.030 1.00 0.00 C ATOM 1116 C LEU A 74 -11.988 -5.502 0.448 1.00 0.00 C ATOM 1117 O LEU A 74 -11.154 -6.045 1.165 1.00 0.00 O ATOM 1118 CB LEU A 74 -12.320 -2.984 0.852 1.00 0.00 C ATOM 1119 CG LEU A 74 -13.833 -2.934 0.754 1.00 0.00 C ATOM 1120 CD1 LEU A 74 -14.444 -3.292 2.097 1.00 0.00 C ATOM 1121 CD2 LEU A 74 -14.195 -1.507 0.378 1.00 0.00 C ATOM 0 H LEU A 74 -12.912 -3.163 -1.484 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.650 -3.968 0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.028 -3.158 1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -11.905 -2.019 0.561 1.00 0.00 H new ATOM 0 HG LEU A 74 -14.209 -3.641 0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -15.531 -3.255 2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -14.133 -4.297 2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -14.107 -2.581 2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -15.278 -1.416 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.832 -0.825 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.735 -1.255 -0.577 1.00 0.00 H new ATOM 1133 N GLU A 75 -13.087 -6.138 0.023 1.00 0.00 N ATOM 1134 CA GLU A 75 -13.314 -7.541 0.330 1.00 0.00 C ATOM 1135 C GLU A 75 -12.187 -8.407 -0.223 1.00 0.00 C ATOM 1136 O GLU A 75 -11.538 -9.118 0.542 1.00 0.00 O ATOM 1137 CB GLU A 75 -14.634 -8.018 -0.271 1.00 0.00 C ATOM 1138 CG GLU A 75 -15.803 -7.497 0.554 1.00 0.00 C ATOM 1139 CD GLU A 75 -17.132 -7.859 -0.092 1.00 0.00 C ATOM 1140 OE1 GLU A 75 -17.352 -9.071 -0.301 1.00 0.00 O ATOM 1141 OE2 GLU A 75 -17.902 -6.914 -0.367 1.00 0.00 O ATOM 0 H GLU A 75 -13.824 -5.700 -0.530 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.348 -7.636 1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.721 -7.669 -1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.657 -9.107 -0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.758 -7.915 1.560 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.727 -6.414 0.655 1.00 0.00 H new ATOM 1148 N LYS A 76 -11.955 -8.358 -1.542 1.00 0.00 N ATOM 1149 CA LYS A 76 -10.937 -9.205 -2.151 1.00 0.00 C ATOM 1150 C LYS A 76 -9.583 -8.955 -1.515 1.00 0.00 C ATOM 1151 O LYS A 76 -8.876 -9.887 -1.143 1.00 0.00 O ATOM 1152 CB LYS A 76 -10.807 -8.957 -3.653 1.00 0.00 C ATOM 1153 CG LYS A 76 -12.150 -8.989 -4.364 1.00 0.00 C ATOM 1154 CD LYS A 76 -11.978 -9.499 -5.803 1.00 0.00 C ATOM 1155 CE LYS A 76 -10.712 -8.992 -6.512 1.00 0.00 C ATOM 1156 NZ LYS A 76 -10.587 -9.584 -7.853 1.00 0.00 N ATOM 0 H LYS A 76 -12.452 -7.750 -2.193 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.254 -10.235 -1.986 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.334 -7.989 -3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.151 -9.711 -4.088 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.841 -9.635 -3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.588 -7.991 -4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.960 -10.589 -5.789 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.849 -9.202 -6.387 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.746 -7.905 -6.592 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.833 -9.241 -5.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.725 -9.226 -8.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.532 -10.619 -7.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.416 -9.325 -8.425 1.00 0.00 H new ATOM 1170 N LEU A 77 -9.231 -7.682 -1.394 1.00 0.00 N ATOM 1171 CA LEU A 77 -7.928 -7.303 -0.901 1.00 0.00 C ATOM 1172 C LEU A 77 -7.737 -7.633 0.573 1.00 0.00 C ATOM 1173 O LEU A 77 -6.734 -8.255 0.908 1.00 0.00 O ATOM 1174 CB LEU A 77 -7.657 -5.843 -1.232 1.00 0.00 C ATOM 1175 CG LEU A 77 -7.417 -5.677 -2.737 1.00 0.00 C ATOM 1176 CD1 LEU A 77 -6.441 -6.731 -3.212 1.00 0.00 C ATOM 1177 CD2 LEU A 77 -8.640 -5.972 -3.588 1.00 0.00 C ATOM 0 H LEU A 77 -9.837 -6.897 -1.633 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.178 -7.905 -1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.502 -5.229 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.787 -5.492 -0.677 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.089 -4.643 -2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.270 -6.613 -4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.497 -6.619 -2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.852 -7.722 -3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.393 -5.833 -4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.959 -7.001 -3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.447 -5.294 -3.312 1.00 0.00 H new ATOM 1189 N ALA A 78 -8.662 -7.250 1.457 1.00 0.00 N ATOM 1190 CA ALA A 78 -8.529 -7.587 2.872 1.00 0.00 C ATOM 1191 C ALA A 78 -8.592 -9.098 3.071 1.00 0.00 C ATOM 1192 O ALA A 78 -7.964 -9.631 3.984 1.00 0.00 O ATOM 1193 CB ALA A 78 -9.568 -6.875 3.738 1.00 0.00 C ATOM 0 H ALA A 78 -9.498 -6.715 1.221 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.551 -7.233 3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.428 -7.158 4.781 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.449 -5.796 3.636 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.569 -7.162 3.416 1.00 0.00 H new ATOM 1199 N ALA A 79 -9.348 -9.800 2.225 1.00 0.00 N ATOM 1200 CA ALA A 79 -9.354 -11.250 2.246 1.00 0.00 C ATOM 1201 C ALA A 79 -7.938 -11.732 1.955 1.00 0.00 C ATOM 1202 O ALA A 79 -7.320 -12.435 2.751 1.00 0.00 O ATOM 1203 CB ALA A 79 -10.281 -11.748 1.141 1.00 0.00 C ATOM 0 H ALA A 79 -9.959 -9.383 1.522 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.693 -11.622 3.213 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.297 -12.838 1.143 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.289 -11.370 1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.921 -11.392 0.176 1.00 0.00 H new ATOM 1209 N TYR A 80 -7.441 -11.290 0.801 1.00 0.00 N ATOM 1210 CA TYR A 80 -6.147 -11.597 0.233 1.00 0.00 C ATOM 1211 C TYR A 80 -5.023 -11.410 1.250 1.00 0.00 C ATOM 1212 O TYR A 80 -4.397 -12.379 1.680 1.00 0.00 O ATOM 1213 CB TYR A 80 -6.009 -10.644 -0.958 1.00 0.00 C ATOM 1214 CG TYR A 80 -4.726 -10.707 -1.754 1.00 0.00 C ATOM 1215 CD1 TYR A 80 -3.522 -10.260 -1.181 1.00 0.00 C ATOM 1216 CD2 TYR A 80 -4.761 -11.083 -3.108 1.00 0.00 C ATOM 1217 CE1 TYR A 80 -2.341 -10.253 -1.939 1.00 0.00 C ATOM 1218 CE2 TYR A 80 -3.584 -11.054 -3.874 1.00 0.00 C ATOM 1219 CZ TYR A 80 -2.374 -10.660 -3.283 1.00 0.00 C ATOM 1220 OH TYR A 80 -1.239 -10.600 -4.024 1.00 0.00 O ATOM 0 H TYR A 80 -7.978 -10.663 0.202 1.00 0.00 H new ATOM 0 HA TYR A 80 -6.072 -12.640 -0.073 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.838 -10.835 -1.640 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -6.127 -9.625 -0.589 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -3.506 -9.921 -0.156 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -5.692 -11.394 -3.559 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.411 -9.936 -1.491 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.610 -11.335 -4.917 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.609 -9.975 -3.608 1.00 0.00 H new ATOM 1230 N VAL A 81 -4.783 -10.146 1.609 1.00 0.00 N ATOM 1231 CA VAL A 81 -3.722 -9.634 2.471 1.00 0.00 C ATOM 1232 C VAL A 81 -3.453 -10.441 3.724 1.00 0.00 C ATOM 1233 O VAL A 81 -2.317 -10.487 4.184 1.00 0.00 O ATOM 1234 CB VAL A 81 -4.092 -8.230 2.937 1.00 0.00 C ATOM 1235 CG1 VAL A 81 -4.151 -7.288 1.751 1.00 0.00 C ATOM 1236 CG2 VAL A 81 -5.458 -8.266 3.616 1.00 0.00 C ATOM 0 H VAL A 81 -5.381 -9.391 1.273 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.823 -9.676 1.855 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.337 -7.877 3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.416 -6.288 2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.178 -7.258 1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.902 -7.640 1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.725 -7.263 3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.206 -8.624 2.909 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.420 -8.936 4.475 1.00 0.00 H new ATOM 1246 N GLN A 82 -4.482 -11.032 4.316 1.00 0.00 N ATOM 1247 CA GLN A 82 -4.321 -11.722 5.575 1.00 0.00 C ATOM 1248 C GLN A 82 -4.524 -13.225 5.440 1.00 0.00 C ATOM 1249 O GLN A 82 -4.684 -13.927 6.438 1.00 0.00 O ATOM 1250 CB GLN A 82 -5.362 -11.112 6.497 1.00 0.00 C ATOM 1251 CG GLN A 82 -6.766 -11.563 6.128 1.00 0.00 C ATOM 1252 CD GLN A 82 -7.725 -10.972 7.141 1.00 0.00 C ATOM 1253 OE1 GLN A 82 -7.532 -11.112 8.345 1.00 0.00 O ATOM 1254 NE2 GLN A 82 -8.674 -10.197 6.645 1.00 0.00 N ATOM 0 H GLN A 82 -5.431 -11.044 3.941 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.308 -11.605 5.959 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.147 -11.395 7.528 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.303 -10.025 6.446 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.021 -11.231 5.122 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.831 -12.651 6.131 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.791 -10.117 5.635 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.289 -9.679 7.272 1.00 0.00 H new ATOM 1263 N GLU A 83 -4.529 -13.723 4.207 1.00 0.00 N ATOM 1264 CA GLU A 83 -4.919 -15.089 3.976 1.00 0.00 C ATOM 1265 C GLU A 83 -3.803 -15.917 3.357 1.00 0.00 C ATOM 1266 O GLU A 83 -3.236 -16.808 3.984 1.00 0.00 O ATOM 1267 CB GLU A 83 -6.151 -14.997 3.070 1.00 0.00 C ATOM 1268 CG GLU A 83 -6.884 -16.318 2.840 1.00 0.00 C ATOM 1269 CD GLU A 83 -6.202 -17.169 1.777 1.00 0.00 C ATOM 1270 OE1 GLU A 83 -5.993 -16.631 0.668 1.00 0.00 O ATOM 1271 OE2 GLU A 83 -5.895 -18.337 2.097 1.00 0.00 O ATOM 0 H GLU A 83 -4.269 -13.201 3.370 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.142 -15.607 4.909 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.850 -14.282 3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.844 -14.596 2.104 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.931 -16.875 3.776 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.912 -16.115 2.538 1.00 0.00 H new ATOM 1278 N GLU A 84 -3.464 -15.593 2.115 1.00 0.00 N ATOM 1279 CA GLU A 84 -2.620 -16.417 1.265 1.00 0.00 C ATOM 1280 C GLU A 84 -1.121 -16.257 1.497 1.00 0.00 C ATOM 1281 O GLU A 84 -0.389 -16.037 0.540 1.00 0.00 O ATOM 1282 CB GLU A 84 -2.997 -16.070 -0.167 1.00 0.00 C ATOM 1283 CG GLU A 84 -2.889 -14.553 -0.268 1.00 0.00 C ATOM 1284 CD GLU A 84 -3.667 -14.012 -1.452 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -4.888 -13.815 -1.276 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -3.025 -13.809 -2.504 1.00 0.00 O ATOM 0 H GLU A 84 -3.775 -14.733 1.664 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.800 -17.465 1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.329 -16.558 -0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.008 -16.406 -0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.262 -14.100 0.650 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.841 -14.268 -0.361 1.00 0.00 H new ATOM 1293 N VAL A 85 -0.704 -16.382 2.757 1.00 0.00 N ATOM 1294 CA VAL A 85 0.673 -16.329 3.275 1.00 0.00 C ATOM 1295 C VAL A 85 1.738 -16.085 2.197 1.00 0.00 C ATOM 1296 O VAL A 85 2.232 -17.035 1.514 1.00 0.00 O ATOM 1297 CB VAL A 85 0.998 -17.637 4.100 1.00 0.00 C ATOM 1298 CG1 VAL A 85 0.171 -17.856 5.398 1.00 0.00 C ATOM 1299 CG2 VAL A 85 0.841 -18.946 3.290 1.00 0.00 C ATOM 1300 OXT VAL A 85 2.137 -14.899 1.982 1.00 0.00 O ATOM 0 H VAL A 85 -1.375 -16.536 3.510 1.00 0.00 H new ATOM 0 HA VAL A 85 0.717 -15.460 3.931 1.00 0.00 H new ATOM 0 HB VAL A 85 2.038 -17.440 4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.483 -18.784 5.876 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.337 -17.023 6.080 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.888 -17.915 5.149 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.082 -19.798 3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.187 -19.035 2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.517 -18.928 2.435 1.00 0.00 H new TER 1310 VAL A 85