USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=18 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 : amide:sc= 0.252! C(o=-5.3!,f=-11!) USER MOD Set 1.2: A 71 GLN : amide:sc= -5.59! C(o=-5.3!,f=-12!) USER MOD Set 2.1: A 37 LYS NZ :NH3+ -161:sc= 0.394 (180deg=-0.0965) USER MOD Set 2.2: A 56 SER OG : rot 79:sc= 1.36 USER MOD Set 3.1: A 51 MET CE :methyl 173:sc= -4.27! (180deg=-4.41!) USER MOD Set 3.2: A 52 SER OG : rot -110:sc= -4.15! USER MOD Set 4.1: A 27 ASN : amide:sc= -5.89! C(o=-8.3!,f=-9.1!) USER MOD Set 4.2: A 45 LYS NZ :NH3+ 174:sc= -2.36! (180deg=-2.58!) USER MOD Set 5.1: A 43 ASN : amide:sc= -1.92 K(o=-0.81,f=-7.4!) USER MOD Set 5.2: A 46 SER OG : rot 101:sc= 1.1 USER MOD Set 6.1: A 30 THR OG1 : rot -81:sc= -2.59! USER MOD Set 6.2: A 31 SER OG : rot 120:sc= -0.0704 USER MOD Set 7.1: A 15 GLN : amide:sc= 1.08 K(o=-3.6,f=-4.1) USER MOD Set 7.2: A 57 THR OG1 : rot 160:sc= -4.66! USER MOD Set 8.1: A 3 GLN : amide:sc= -2.23! C(o=-1.4!,f=-2.4!) USER MOD Set 8.2: A 41 LYS NZ :NH3+ -122:sc= 1.18 (180deg=-0.212) USER MOD Set 8.3: A 66 GLN : amide:sc= -0.326 K(o=-1.4,f=-2.4) USER MOD Single : A 5 LYS NZ :NH3+ -158:sc= 0.173 (180deg=-0.499) USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= -2.75! (180deg=-2.98!) USER MOD Single : A 12 THR OG1 : rot -77:sc= 0.0834 USER MOD Single : A 24 GLN : amide:sc= -2.58! C(o=-2.6!,f=-11!) USER MOD Single : A 40 LYS NZ :NH3+ -120:sc= -0.266 (180deg=-1.26) USER MOD Single : A 48 MET CE :methyl -117:sc= -0.833 (180deg=-4!) USER MOD Single : A 59 THR OG1 : rot 68:sc= -1.66! USER MOD Single : A 62 THR OG1 : rot 72:sc= 1.04 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 23:sc= -5.75! USER MOD Single : A 82 GLN : amide:sc= -7.39! C(o=-7.4!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 -17.017 5.974 -2.327 1.00 0.00 N ATOM 2 CA VAL A 2 -17.625 5.328 -1.168 1.00 0.00 C ATOM 3 C VAL A 2 -16.567 4.473 -0.473 1.00 0.00 C ATOM 4 O VAL A 2 -15.893 3.685 -1.130 1.00 0.00 O ATOM 5 CB VAL A 2 -18.816 4.478 -1.617 1.00 0.00 C ATOM 6 CG1 VAL A 2 -19.517 3.874 -0.404 1.00 0.00 C ATOM 7 CG2 VAL A 2 -19.821 5.339 -2.378 1.00 0.00 C ATOM 0 HA VAL A 2 -17.993 6.075 -0.465 1.00 0.00 H new ATOM 0 HB VAL A 2 -18.443 3.684 -2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -20.363 3.271 -0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -18.816 3.245 0.145 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -19.873 4.673 0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -20.664 4.723 -2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -20.178 6.140 -1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -19.340 5.770 -3.256 1.00 0.00 H new ATOM 19 N GLN A 3 -16.381 4.638 0.835 1.00 0.00 N ATOM 20 CA GLN A 3 -15.293 3.948 1.496 1.00 0.00 C ATOM 21 C GLN A 3 -15.750 2.879 2.479 1.00 0.00 C ATOM 22 O GLN A 3 -16.486 3.178 3.416 1.00 0.00 O ATOM 23 CB GLN A 3 -14.448 4.976 2.246 1.00 0.00 C ATOM 24 CG GLN A 3 -13.122 4.323 2.599 1.00 0.00 C ATOM 25 CD GLN A 3 -12.360 5.115 3.643 1.00 0.00 C ATOM 26 OE1 GLN A 3 -11.329 5.704 3.330 1.00 0.00 O ATOM 27 NE2 GLN A 3 -12.854 5.140 4.876 1.00 0.00 N ATOM 0 H GLN A 3 -16.955 5.227 1.438 1.00 0.00 H new ATOM 0 HA GLN A 3 -14.724 3.437 0.719 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -14.286 5.860 1.629 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -14.962 5.307 3.148 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.302 3.314 2.969 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.513 4.229 1.700 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -13.714 4.636 5.091 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -12.373 5.664 5.608 1.00 0.00 H new ATOM 36 N GLN A 4 -15.256 1.653 2.311 1.00 0.00 N ATOM 37 CA GLN A 4 -15.473 0.611 3.298 1.00 0.00 C ATOM 38 C GLN A 4 -14.158 -0.155 3.468 1.00 0.00 C ATOM 39 O GLN A 4 -13.311 -0.115 2.578 1.00 0.00 O ATOM 40 CB GLN A 4 -16.636 -0.307 2.886 1.00 0.00 C ATOM 41 CG GLN A 4 -17.609 -0.505 4.054 1.00 0.00 C ATOM 42 CD GLN A 4 -16.873 -1.058 5.262 1.00 0.00 C ATOM 43 OE1 GLN A 4 -16.344 -0.296 6.064 1.00 0.00 O ATOM 44 NE2 GLN A 4 -16.701 -2.370 5.337 1.00 0.00 N ATOM 0 H GLN A 4 -14.706 1.363 1.502 1.00 0.00 H new ATOM 0 HA GLN A 4 -15.761 1.045 4.255 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -17.164 0.125 2.036 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -16.247 -1.272 2.562 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -18.080 0.444 4.309 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.406 -1.188 3.761 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -17.152 -2.983 4.658 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -16.118 -2.767 6.074 1.00 0.00 H new ATOM 53 N LYS A 5 -13.971 -0.841 4.594 1.00 0.00 N ATOM 54 CA LYS A 5 -12.815 -1.677 4.846 1.00 0.00 C ATOM 55 C LYS A 5 -13.176 -2.850 5.749 1.00 0.00 C ATOM 56 O LYS A 5 -14.162 -2.804 6.488 1.00 0.00 O ATOM 57 CB LYS A 5 -11.703 -0.846 5.477 1.00 0.00 C ATOM 58 CG LYS A 5 -12.227 0.204 6.457 1.00 0.00 C ATOM 59 CD LYS A 5 -12.553 -0.427 7.803 1.00 0.00 C ATOM 60 CE LYS A 5 -13.040 0.650 8.771 1.00 0.00 C ATOM 61 NZ LYS A 5 -12.053 1.736 8.904 1.00 0.00 N ATOM 0 H LYS A 5 -14.636 -0.826 5.367 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.466 -2.079 3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.012 -1.509 5.998 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.136 -0.350 4.690 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.482 0.988 6.589 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.119 0.678 6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.319 -1.193 7.681 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.670 -0.921 8.208 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.987 1.058 8.418 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.229 0.205 9.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.210 2.240 9.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.093 1.336 8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.159 2.400 8.111 1.00 0.00 H new ATOM 75 N VAL A 6 -12.361 -3.899 5.674 1.00 0.00 N ATOM 76 CA VAL A 6 -12.473 -5.098 6.488 1.00 0.00 C ATOM 77 C VAL A 6 -11.064 -5.463 6.947 1.00 0.00 C ATOM 78 O VAL A 6 -10.101 -5.201 6.228 1.00 0.00 O ATOM 79 CB VAL A 6 -13.153 -6.217 5.697 1.00 0.00 C ATOM 80 CG1 VAL A 6 -14.617 -5.842 5.487 1.00 0.00 C ATOM 81 CG2 VAL A 6 -12.494 -6.414 4.333 1.00 0.00 C ATOM 0 H VAL A 6 -11.578 -3.935 5.021 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.100 -4.934 7.364 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.061 -7.146 6.259 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -15.117 -6.630 4.924 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -15.104 -5.722 6.455 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.677 -4.906 4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -13.001 -7.216 3.797 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.565 -5.491 3.758 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.445 -6.676 4.470 1.00 0.00 H new ATOM 91 N GLU A 7 -10.899 -6.010 8.152 1.00 0.00 N ATOM 92 CA GLU A 7 -9.546 -6.218 8.639 1.00 0.00 C ATOM 93 C GLU A 7 -8.963 -7.597 8.343 1.00 0.00 C ATOM 94 O GLU A 7 -9.658 -8.538 7.956 1.00 0.00 O ATOM 95 CB GLU A 7 -9.452 -5.824 10.117 1.00 0.00 C ATOM 96 CG GLU A 7 -10.134 -6.823 11.055 1.00 0.00 C ATOM 97 CD GLU A 7 -9.199 -7.966 11.433 1.00 0.00 C ATOM 98 OE1 GLU A 7 -8.005 -7.670 11.653 1.00 0.00 O ATOM 99 OE2 GLU A 7 -9.698 -9.109 11.487 1.00 0.00 O ATOM 0 H GLU A 7 -11.649 -6.303 8.779 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.902 -5.553 8.064 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.402 -5.733 10.395 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.904 -4.842 10.253 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.464 -6.309 11.957 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.025 -7.225 10.573 1.00 0.00 H new ATOM 106 N VAL A 8 -7.649 -7.689 8.525 1.00 0.00 N ATOM 107 CA VAL A 8 -6.877 -8.877 8.241 1.00 0.00 C ATOM 108 C VAL A 8 -5.641 -8.905 9.120 1.00 0.00 C ATOM 109 O VAL A 8 -5.155 -7.846 9.508 1.00 0.00 O ATOM 110 CB VAL A 8 -6.393 -8.818 6.779 1.00 0.00 C ATOM 111 CG1 VAL A 8 -7.321 -7.984 5.901 1.00 0.00 C ATOM 112 CG2 VAL A 8 -4.979 -8.248 6.647 1.00 0.00 C ATOM 0 H VAL A 8 -7.086 -6.917 8.883 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.497 -9.755 8.421 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.395 -9.854 6.441 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.941 -7.970 4.880 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.320 -8.420 5.910 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.366 -6.965 6.285 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.691 -8.230 5.596 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.957 -7.234 7.047 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.281 -8.873 7.204 1.00 0.00 H new ATOM 122 N ARG A 9 -5.059 -10.069 9.383 1.00 0.00 N ATOM 123 CA ARG A 9 -3.711 -9.952 9.888 1.00 0.00 C ATOM 124 C ARG A 9 -2.816 -9.984 8.666 1.00 0.00 C ATOM 125 O ARG A 9 -2.940 -10.855 7.807 1.00 0.00 O ATOM 126 CB ARG A 9 -3.304 -10.958 10.951 1.00 0.00 C ATOM 127 CG ARG A 9 -2.101 -10.298 11.623 1.00 0.00 C ATOM 128 CD ARG A 9 -1.679 -11.016 12.897 1.00 0.00 C ATOM 129 NE ARG A 9 -0.823 -12.167 12.601 1.00 0.00 N ATOM 130 CZ ARG A 9 0.425 -12.294 13.072 1.00 0.00 C ATOM 131 NH1 ARG A 9 0.975 -11.315 13.802 1.00 0.00 N ATOM 132 NH2 ARG A 9 1.121 -13.403 12.805 1.00 0.00 N ATOM 0 H ARG A 9 -5.450 -11.004 9.270 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.620 -9.019 10.445 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.111 -11.140 11.661 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.041 -11.921 10.513 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.264 -10.280 10.925 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.343 -9.261 11.857 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.147 -10.323 13.548 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.564 -11.348 13.440 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.195 -12.908 12.007 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.443 -10.468 14.002 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.925 -11.417 14.158 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.702 -14.146 12.246 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.072 -13.506 13.160 1.00 0.00 H new ATOM 146 N LEU A 10 -1.965 -8.975 8.568 1.00 0.00 N ATOM 147 CA LEU A 10 -1.090 -8.736 7.448 1.00 0.00 C ATOM 148 C LEU A 10 -0.099 -9.875 7.250 1.00 0.00 C ATOM 149 O LEU A 10 1.060 -9.764 7.634 1.00 0.00 O ATOM 150 CB LEU A 10 -0.411 -7.399 7.726 1.00 0.00 C ATOM 151 CG LEU A 10 -0.001 -6.661 6.461 1.00 0.00 C ATOM 152 CD1 LEU A 10 -1.123 -6.691 5.428 1.00 0.00 C ATOM 153 CD2 LEU A 10 0.245 -5.218 6.878 1.00 0.00 C ATOM 0 H LEU A 10 -1.867 -8.274 9.302 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.643 -8.694 6.510 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.087 -6.769 8.304 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.472 -7.568 8.342 1.00 0.00 H new ATOM 0 HG LEU A 10 0.879 -7.123 6.014 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.807 -6.157 4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.354 -7.725 5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.011 -6.212 5.841 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.544 -4.634 6.008 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.670 -4.800 7.299 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.037 -5.186 7.627 1.00 0.00 H new ATOM 165 N LYS A 11 -0.540 -10.956 6.615 1.00 0.00 N ATOM 166 CA LYS A 11 0.298 -12.104 6.324 1.00 0.00 C ATOM 167 C LYS A 11 1.271 -11.653 5.242 1.00 0.00 C ATOM 168 O LYS A 11 2.468 -11.897 5.351 1.00 0.00 O ATOM 169 CB LYS A 11 -0.618 -13.260 5.895 1.00 0.00 C ATOM 170 CG LYS A 11 0.058 -14.341 5.056 1.00 0.00 C ATOM 171 CD LYS A 11 0.193 -13.832 3.620 1.00 0.00 C ATOM 172 CE LYS A 11 -1.114 -13.196 3.148 1.00 0.00 C ATOM 173 NZ LYS A 11 -2.170 -14.190 2.991 1.00 0.00 N ATOM 0 H LYS A 11 -1.500 -11.056 6.286 1.00 0.00 H new ATOM 0 HA LYS A 11 0.875 -12.465 7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.036 -13.723 6.789 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.454 -12.850 5.328 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.039 -14.580 5.466 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.529 -15.259 5.078 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.000 -13.102 3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.461 -14.657 2.960 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.430 -12.439 3.865 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.949 -12.687 2.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.070 -13.711 2.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.931 -14.829 2.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.263 -14.739 3.869 1.00 0.00 H new ATOM 187 N THR A 12 0.735 -10.957 4.235 1.00 0.00 N ATOM 188 CA THR A 12 1.487 -10.307 3.178 1.00 0.00 C ATOM 189 C THR A 12 2.602 -9.477 3.807 1.00 0.00 C ATOM 190 O THR A 12 3.789 -9.701 3.581 1.00 0.00 O ATOM 191 CB THR A 12 0.566 -9.324 2.423 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.315 -8.683 3.332 1.00 0.00 O ATOM 193 CG2 THR A 12 -0.281 -9.927 1.307 1.00 0.00 C ATOM 0 H THR A 12 -0.272 -10.831 4.138 1.00 0.00 H new ATOM 0 HA THR A 12 1.884 -11.065 2.503 1.00 0.00 H new ATOM 0 HB THR A 12 1.259 -8.630 1.947 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.041 -9.296 3.572 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.887 -9.146 0.848 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.371 -10.370 0.554 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.933 -10.696 1.720 1.00 0.00 H new ATOM 201 N GLY A 13 2.177 -8.477 4.584 1.00 0.00 N ATOM 202 CA GLY A 13 3.052 -7.446 5.121 1.00 0.00 C ATOM 203 C GLY A 13 3.752 -6.727 3.973 1.00 0.00 C ATOM 204 O GLY A 13 4.870 -6.250 4.128 1.00 0.00 O ATOM 0 H GLY A 13 1.201 -8.364 4.858 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.474 -6.735 5.712 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.789 -7.891 5.789 1.00 0.00 H new ATOM 208 N LEU A 14 3.107 -6.754 2.803 1.00 0.00 N ATOM 209 CA LEU A 14 3.458 -6.064 1.576 1.00 0.00 C ATOM 210 C LEU A 14 4.963 -6.026 1.383 1.00 0.00 C ATOM 211 O LEU A 14 5.593 -4.974 1.470 1.00 0.00 O ATOM 212 CB LEU A 14 2.752 -4.721 1.485 1.00 0.00 C ATOM 213 CG LEU A 14 1.228 -4.916 1.407 1.00 0.00 C ATOM 214 CD1 LEU A 14 0.652 -4.063 0.284 1.00 0.00 C ATOM 215 CD2 LEU A 14 0.746 -6.348 1.167 1.00 0.00 C ATOM 0 H LEU A 14 2.257 -7.307 2.689 1.00 0.00 H new ATOM 0 HA LEU A 14 3.087 -6.627 0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.002 -4.113 2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.100 -4.179 0.606 1.00 0.00 H new ATOM 0 HG LEU A 14 0.879 -4.623 2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.427 -4.207 0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.870 -3.013 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.101 -4.359 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.343 -6.364 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.146 -6.713 0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.091 -6.989 1.978 1.00 0.00 H new ATOM 227 N GLN A 15 5.523 -7.196 1.110 1.00 0.00 N ATOM 228 CA GLN A 15 6.964 -7.337 1.079 1.00 0.00 C ATOM 229 C GLN A 15 7.549 -7.333 -0.328 1.00 0.00 C ATOM 230 O GLN A 15 8.285 -6.414 -0.677 1.00 0.00 O ATOM 231 CB GLN A 15 7.359 -8.564 1.900 1.00 0.00 C ATOM 232 CG GLN A 15 6.746 -8.403 3.293 1.00 0.00 C ATOM 233 CD GLN A 15 7.186 -9.488 4.262 1.00 0.00 C ATOM 234 OE1 GLN A 15 8.373 -9.665 4.515 1.00 0.00 O ATOM 235 NE2 GLN A 15 6.236 -10.222 4.829 1.00 0.00 N ATOM 0 H GLN A 15 5.004 -8.051 0.909 1.00 0.00 H new ATOM 0 HA GLN A 15 7.407 -6.453 1.538 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.997 -9.476 1.425 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.444 -8.648 1.966 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.023 -7.429 3.696 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.659 -8.416 3.210 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.256 -10.053 4.600 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.486 -10.955 5.493 1.00 0.00 H new ATOM 244 N ALA A 16 7.260 -8.346 -1.142 1.00 0.00 N ATOM 245 CA ALA A 16 7.866 -8.428 -2.455 1.00 0.00 C ATOM 246 C ALA A 16 6.872 -8.719 -3.573 1.00 0.00 C ATOM 247 O ALA A 16 7.069 -8.259 -4.695 1.00 0.00 O ATOM 248 CB ALA A 16 8.942 -9.511 -2.429 1.00 0.00 C ATOM 0 H ALA A 16 6.620 -9.107 -0.915 1.00 0.00 H new ATOM 0 HA ALA A 16 8.291 -7.449 -2.675 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.408 -9.585 -3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.698 -9.255 -1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.489 -10.468 -2.170 1.00 0.00 H new ATOM 254 N ARG A 17 5.820 -9.494 -3.312 1.00 0.00 N ATOM 255 CA ARG A 17 4.918 -9.865 -4.391 1.00 0.00 C ATOM 256 C ARG A 17 3.469 -9.529 -4.069 1.00 0.00 C ATOM 257 O ARG A 17 2.936 -8.574 -4.634 1.00 0.00 O ATOM 258 CB ARG A 17 5.099 -11.341 -4.753 1.00 0.00 C ATOM 259 CG ARG A 17 6.545 -11.605 -5.168 1.00 0.00 C ATOM 260 CD ARG A 17 7.098 -12.761 -4.336 1.00 0.00 C ATOM 261 NE ARG A 17 6.966 -12.457 -2.910 1.00 0.00 N ATOM 262 CZ ARG A 17 7.406 -13.221 -1.909 1.00 0.00 C ATOM 263 NH1 ARG A 17 8.015 -14.387 -2.146 1.00 0.00 N ATOM 264 NH2 ARG A 17 7.218 -12.783 -0.665 1.00 0.00 N ATOM 0 H ARG A 17 5.579 -9.865 -2.393 1.00 0.00 H new ATOM 0 HA ARG A 17 5.179 -9.269 -5.266 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.837 -11.968 -3.900 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.424 -11.610 -5.566 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.594 -11.848 -6.229 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.149 -10.710 -5.018 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.561 -13.680 -4.572 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.145 -12.931 -4.585 1.00 0.00 H new ATOM 0 HE ARG A 17 6.497 -11.586 -2.660 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.150 -14.706 -3.105 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.345 -14.958 -1.368 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.751 -11.891 -0.504 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.541 -13.340 0.126 1.00 0.00 H new ATOM 278 N PRO A 18 2.819 -10.286 -3.173 1.00 0.00 N ATOM 279 CA PRO A 18 1.441 -10.068 -2.767 1.00 0.00 C ATOM 280 C PRO A 18 1.222 -8.670 -2.219 1.00 0.00 C ATOM 281 O PRO A 18 0.088 -8.213 -2.185 1.00 0.00 O ATOM 282 CB PRO A 18 1.126 -11.112 -1.711 1.00 0.00 C ATOM 283 CG PRO A 18 2.504 -11.312 -1.116 1.00 0.00 C ATOM 284 CD PRO A 18 3.408 -11.304 -2.340 1.00 0.00 C ATOM 0 HA PRO A 18 0.780 -10.161 -3.629 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.403 -10.756 -0.977 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.721 -12.029 -2.140 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.762 -10.515 -0.418 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.575 -12.251 -0.568 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.439 -11.065 -2.079 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.422 -12.274 -2.837 1.00 0.00 H new ATOM 292 N ALA A 19 2.280 -7.986 -1.791 1.00 0.00 N ATOM 293 CA ALA A 19 2.210 -6.582 -1.460 1.00 0.00 C ATOM 294 C ALA A 19 1.628 -5.792 -2.631 1.00 0.00 C ATOM 295 O ALA A 19 0.574 -5.163 -2.532 1.00 0.00 O ATOM 296 CB ALA A 19 3.646 -6.140 -1.253 1.00 0.00 C ATOM 0 H ALA A 19 3.205 -8.397 -1.667 1.00 0.00 H new ATOM 0 HA ALA A 19 1.584 -6.415 -0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.667 -5.080 -0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.091 -6.717 -0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.213 -6.304 -2.169 1.00 0.00 H new ATOM 302 N ALA A 20 2.334 -5.829 -3.759 1.00 0.00 N ATOM 303 CA ALA A 20 1.903 -5.150 -4.967 1.00 0.00 C ATOM 304 C ALA A 20 0.711 -5.883 -5.555 1.00 0.00 C ATOM 305 O ALA A 20 -0.114 -5.253 -6.196 1.00 0.00 O ATOM 306 CB ALA A 20 3.055 -5.101 -5.964 1.00 0.00 C ATOM 0 H ALA A 20 3.217 -6.330 -3.856 1.00 0.00 H new ATOM 0 HA ALA A 20 1.605 -4.128 -4.734 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.730 -4.591 -6.871 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.894 -4.561 -5.525 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.366 -6.116 -6.211 1.00 0.00 H new ATOM 312 N LEU A 21 0.601 -7.199 -5.354 1.00 0.00 N ATOM 313 CA LEU A 21 -0.567 -7.948 -5.797 1.00 0.00 C ATOM 314 C LEU A 21 -1.811 -7.324 -5.172 1.00 0.00 C ATOM 315 O LEU A 21 -2.782 -7.037 -5.863 1.00 0.00 O ATOM 316 CB LEU A 21 -0.416 -9.413 -5.409 1.00 0.00 C ATOM 317 CG LEU A 21 -1.270 -10.268 -6.344 1.00 0.00 C ATOM 318 CD1 LEU A 21 -0.790 -11.714 -6.293 1.00 0.00 C ATOM 319 CD2 LEU A 21 -2.738 -10.209 -5.931 1.00 0.00 C ATOM 0 H LEU A 21 1.310 -7.764 -4.886 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.663 -7.905 -6.882 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.630 -9.714 -5.475 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.726 -9.562 -4.375 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.172 -9.880 -7.358 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.400 -12.323 -6.960 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.252 -11.763 -6.608 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.879 -12.091 -5.274 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.331 -10.824 -6.608 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.845 -10.583 -4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.088 -9.178 -5.977 1.00 0.00 H new ATOM 331 N PHE A 22 -1.733 -7.092 -3.866 1.00 0.00 N ATOM 332 CA PHE A 22 -2.680 -6.375 -3.031 1.00 0.00 C ATOM 333 C PHE A 22 -3.016 -5.048 -3.693 1.00 0.00 C ATOM 334 O PHE A 22 -4.155 -4.808 -4.090 1.00 0.00 O ATOM 335 CB PHE A 22 -1.955 -6.154 -1.699 1.00 0.00 C ATOM 336 CG PHE A 22 -2.483 -5.109 -0.736 1.00 0.00 C ATOM 337 CD1 PHE A 22 -2.210 -3.749 -0.972 1.00 0.00 C ATOM 338 CD2 PHE A 22 -2.938 -5.505 0.530 1.00 0.00 C ATOM 339 CE1 PHE A 22 -2.423 -2.790 0.030 1.00 0.00 C ATOM 340 CE2 PHE A 22 -3.140 -4.549 1.542 1.00 0.00 C ATOM 341 CZ PHE A 22 -2.893 -3.188 1.292 1.00 0.00 C ATOM 0 H PHE A 22 -0.939 -7.430 -3.323 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.615 -6.916 -2.885 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.939 -7.108 -1.172 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.920 -5.898 -1.927 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.832 -3.440 -1.935 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.134 -6.548 0.729 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.226 -1.747 -0.169 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.487 -4.862 2.516 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.064 -2.453 2.065 1.00 0.00 H new ATOM 351 N VAL A 23 -2.001 -4.195 -3.841 1.00 0.00 N ATOM 352 CA VAL A 23 -2.207 -2.866 -4.380 1.00 0.00 C ATOM 353 C VAL A 23 -2.837 -2.929 -5.769 1.00 0.00 C ATOM 354 O VAL A 23 -3.682 -2.110 -6.108 1.00 0.00 O ATOM 355 CB VAL A 23 -0.878 -2.102 -4.433 1.00 0.00 C ATOM 356 CG1 VAL A 23 0.073 -2.435 -3.288 1.00 0.00 C ATOM 357 CG2 VAL A 23 -0.265 -2.241 -5.819 1.00 0.00 C ATOM 0 H VAL A 23 -1.034 -4.407 -3.594 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.894 -2.335 -3.720 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.087 -1.045 -4.269 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.990 -1.855 -3.396 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.402 -2.190 -2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.312 -3.498 -3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.679 -1.698 -5.855 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.086 -3.295 -6.034 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.949 -1.830 -6.562 1.00 0.00 H new ATOM 367 N GLN A 24 -2.375 -3.865 -6.596 1.00 0.00 N ATOM 368 CA GLN A 24 -2.772 -3.996 -7.977 1.00 0.00 C ATOM 369 C GLN A 24 -4.185 -4.513 -8.064 1.00 0.00 C ATOM 370 O GLN A 24 -4.921 -4.052 -8.917 1.00 0.00 O ATOM 371 CB GLN A 24 -1.763 -4.821 -8.785 1.00 0.00 C ATOM 372 CG GLN A 24 -1.690 -6.302 -8.407 1.00 0.00 C ATOM 373 CD GLN A 24 -2.720 -7.155 -9.140 1.00 0.00 C ATOM 374 OE1 GLN A 24 -2.819 -7.114 -10.362 1.00 0.00 O ATOM 375 NE2 GLN A 24 -3.501 -7.938 -8.404 1.00 0.00 N ATOM 0 H GLN A 24 -1.695 -4.568 -6.306 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.766 -3.010 -8.442 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.016 -4.743 -9.842 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.774 -4.380 -8.661 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.691 -6.679 -8.627 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.840 -6.405 -7.332 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.397 -7.953 -7.389 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.204 -8.524 -8.854 1.00 0.00 H new ATOM 384 N GLU A 25 -4.582 -5.436 -7.190 1.00 0.00 N ATOM 385 CA GLU A 25 -5.931 -5.955 -7.225 1.00 0.00 C ATOM 386 C GLU A 25 -6.860 -4.863 -6.739 1.00 0.00 C ATOM 387 O GLU A 25 -7.845 -4.585 -7.411 1.00 0.00 O ATOM 388 CB GLU A 25 -6.055 -7.262 -6.435 1.00 0.00 C ATOM 389 CG GLU A 25 -5.439 -7.114 -5.044 1.00 0.00 C ATOM 390 CD GLU A 25 -5.467 -8.391 -4.221 1.00 0.00 C ATOM 391 OE1 GLU A 25 -5.664 -9.466 -4.826 1.00 0.00 O ATOM 392 OE2 GLU A 25 -5.283 -8.256 -2.992 1.00 0.00 O ATOM 0 H GLU A 25 -3.990 -5.831 -6.460 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.213 -6.224 -8.243 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.105 -7.540 -6.345 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.557 -8.067 -6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.406 -6.783 -5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.972 -6.332 -4.502 1.00 0.00 H new ATOM 399 N ALA A 26 -6.502 -4.207 -5.628 1.00 0.00 N ATOM 400 CA ALA A 26 -7.205 -3.041 -5.123 1.00 0.00 C ATOM 401 C ALA A 26 -7.418 -2.078 -6.287 1.00 0.00 C ATOM 402 O ALA A 26 -8.545 -1.701 -6.605 1.00 0.00 O ATOM 403 CB ALA A 26 -6.334 -2.385 -4.060 1.00 0.00 C ATOM 0 H ALA A 26 -5.705 -4.482 -5.054 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.167 -3.313 -4.690 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.842 -1.505 -3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.152 -3.093 -3.251 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.383 -2.087 -4.502 1.00 0.00 H new ATOM 409 N ASN A 27 -6.306 -1.740 -6.943 1.00 0.00 N ATOM 410 CA ASN A 27 -6.257 -0.929 -8.142 1.00 0.00 C ATOM 411 C ASN A 27 -7.209 -1.433 -9.218 1.00 0.00 C ATOM 412 O ASN A 27 -7.942 -0.650 -9.813 1.00 0.00 O ATOM 413 CB ASN A 27 -4.851 -1.057 -8.708 1.00 0.00 C ATOM 414 CG ASN A 27 -4.018 0.184 -8.422 1.00 0.00 C ATOM 415 OD1 ASN A 27 -4.364 1.287 -8.831 1.00 0.00 O ATOM 416 ND2 ASN A 27 -2.930 0.005 -7.684 1.00 0.00 N ATOM 0 H ASN A 27 -5.382 -2.041 -6.633 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.535 0.092 -7.879 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.363 -1.931 -8.277 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.905 -1.220 -9.784 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.345 0.803 -7.436 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.679 -0.931 -7.365 1.00 0.00 H new ATOM 423 N ARG A 28 -7.170 -2.745 -9.463 1.00 0.00 N ATOM 424 CA ARG A 28 -7.948 -3.451 -10.472 1.00 0.00 C ATOM 425 C ARG A 28 -9.442 -3.210 -10.321 1.00 0.00 C ATOM 426 O ARG A 28 -10.183 -3.416 -11.278 1.00 0.00 O ATOM 427 CB ARG A 28 -7.630 -4.945 -10.417 1.00 0.00 C ATOM 428 CG ARG A 28 -6.236 -5.171 -11.001 1.00 0.00 C ATOM 429 CD ARG A 28 -5.674 -6.540 -10.623 1.00 0.00 C ATOM 430 NE ARG A 28 -6.457 -7.633 -11.202 1.00 0.00 N ATOM 431 CZ ARG A 28 -5.910 -8.758 -11.679 1.00 0.00 C ATOM 432 NH1 ARG A 28 -4.584 -8.934 -11.644 1.00 0.00 N ATOM 433 NH2 ARG A 28 -6.698 -9.707 -12.196 1.00 0.00 N ATOM 0 H ARG A 28 -6.563 -3.371 -8.934 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.665 -3.057 -11.448 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.671 -5.302 -9.388 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.372 -5.510 -10.981 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.279 -5.084 -12.087 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.563 -4.391 -10.645 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.641 -6.614 -10.963 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.660 -6.639 -9.538 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.471 -7.532 -11.244 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.983 -8.209 -11.252 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.174 -9.794 -12.009 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.708 -9.571 -12.225 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.288 -10.567 -12.561 1.00 0.00 H new ATOM 447 N PHE A 29 -9.894 -2.811 -9.132 1.00 0.00 N ATOM 448 CA PHE A 29 -11.274 -2.426 -8.974 1.00 0.00 C ATOM 449 C PHE A 29 -11.421 -1.019 -9.557 1.00 0.00 C ATOM 450 O PHE A 29 -11.559 -0.851 -10.764 1.00 0.00 O ATOM 451 CB PHE A 29 -11.659 -2.474 -7.496 1.00 0.00 C ATOM 452 CG PHE A 29 -11.431 -3.802 -6.819 1.00 0.00 C ATOM 453 CD1 PHE A 29 -12.365 -4.844 -6.934 1.00 0.00 C ATOM 454 CD2 PHE A 29 -10.274 -3.977 -6.048 1.00 0.00 C ATOM 455 CE1 PHE A 29 -12.153 -6.046 -6.237 1.00 0.00 C ATOM 456 CE2 PHE A 29 -10.054 -5.180 -5.358 1.00 0.00 C ATOM 457 CZ PHE A 29 -11.014 -6.200 -5.427 1.00 0.00 C ATOM 0 H PHE A 29 -9.328 -2.750 -8.286 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.944 -3.108 -9.498 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -11.092 -1.710 -6.964 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.713 -2.212 -7.402 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.241 -4.723 -7.554 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.547 -3.181 -5.984 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.866 -6.853 -6.324 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.153 -5.319 -4.779 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.878 -7.107 -4.856 1.00 0.00 H new ATOM 467 N THR A 30 -11.418 -0.003 -8.694 1.00 0.00 N ATOM 468 CA THR A 30 -11.547 1.394 -9.078 1.00 0.00 C ATOM 469 C THR A 30 -11.085 2.256 -7.907 1.00 0.00 C ATOM 470 O THR A 30 -10.175 3.075 -8.008 1.00 0.00 O ATOM 471 CB THR A 30 -13.021 1.681 -9.370 1.00 0.00 C ATOM 472 OG1 THR A 30 -13.836 1.013 -8.419 1.00 0.00 O ATOM 473 CG2 THR A 30 -13.413 1.231 -10.773 1.00 0.00 C ATOM 0 H THR A 30 -11.323 -0.136 -7.687 1.00 0.00 H new ATOM 0 HA THR A 30 -10.946 1.612 -9.961 1.00 0.00 H new ATOM 0 HB THR A 30 -13.170 2.759 -9.303 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.936 0.073 -8.677 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.467 1.451 -10.945 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.807 1.761 -11.508 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.246 0.158 -10.871 1.00 0.00 H new ATOM 481 N SER A 31 -11.782 2.014 -6.798 1.00 0.00 N ATOM 482 CA SER A 31 -11.707 2.567 -5.466 1.00 0.00 C ATOM 483 C SER A 31 -10.383 3.145 -4.997 1.00 0.00 C ATOM 484 O SER A 31 -9.305 2.610 -5.254 1.00 0.00 O ATOM 485 CB SER A 31 -12.074 1.422 -4.529 1.00 0.00 C ATOM 486 OG SER A 31 -13.151 0.686 -5.081 1.00 0.00 O ATOM 0 H SER A 31 -12.524 1.315 -6.833 1.00 0.00 H new ATOM 0 HA SER A 31 -12.371 3.431 -5.467 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.213 0.770 -4.379 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.351 1.814 -3.550 1.00 0.00 H new ATOM 0 HG SER A 31 -12.873 -0.243 -5.224 1.00 0.00 H new ATOM 492 N ASP A 32 -10.509 4.190 -4.175 1.00 0.00 N ATOM 493 CA ASP A 32 -9.390 4.765 -3.454 1.00 0.00 C ATOM 494 C ASP A 32 -9.122 3.765 -2.343 1.00 0.00 C ATOM 495 O ASP A 32 -9.657 3.883 -1.245 1.00 0.00 O ATOM 496 CB ASP A 32 -9.762 6.122 -2.857 1.00 0.00 C ATOM 497 CG ASP A 32 -10.086 7.171 -3.904 1.00 0.00 C ATOM 498 OD1 ASP A 32 -9.266 7.327 -4.832 1.00 0.00 O ATOM 499 OD2 ASP A 32 -11.158 7.797 -3.751 1.00 0.00 O ATOM 0 H ASP A 32 -11.398 4.657 -3.996 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.527 4.937 -4.097 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.622 5.998 -2.199 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.937 6.478 -2.240 1.00 0.00 H new ATOM 504 N VAL A 33 -8.413 2.699 -2.680 1.00 0.00 N ATOM 505 CA VAL A 33 -8.163 1.613 -1.765 1.00 0.00 C ATOM 506 C VAL A 33 -7.225 2.066 -0.660 1.00 0.00 C ATOM 507 O VAL A 33 -6.346 2.898 -0.873 1.00 0.00 O ATOM 508 CB VAL A 33 -7.667 0.433 -2.588 1.00 0.00 C ATOM 509 CG1 VAL A 33 -7.276 -0.723 -1.676 1.00 0.00 C ATOM 510 CG2 VAL A 33 -8.828 0.066 -3.515 1.00 0.00 C ATOM 0 H VAL A 33 -7.996 2.569 -3.602 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.063 1.290 -1.242 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.773 0.674 -3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.923 -1.559 -2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.482 -0.402 -1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.142 -1.036 -1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.541 -0.780 -4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.699 -0.203 -2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.072 0.919 -4.148 1.00 0.00 H new ATOM 520 N PHE A 34 -7.405 1.528 0.538 1.00 0.00 N ATOM 521 CA PHE A 34 -6.617 1.946 1.674 1.00 0.00 C ATOM 522 C PHE A 34 -6.262 0.780 2.577 1.00 0.00 C ATOM 523 O PHE A 34 -6.921 -0.250 2.574 1.00 0.00 O ATOM 524 CB PHE A 34 -7.367 3.013 2.483 1.00 0.00 C ATOM 525 CG PHE A 34 -7.599 4.320 1.756 1.00 0.00 C ATOM 526 CD1 PHE A 34 -6.507 5.001 1.198 1.00 0.00 C ATOM 527 CD2 PHE A 34 -8.890 4.861 1.636 1.00 0.00 C ATOM 528 CE1 PHE A 34 -6.696 6.198 0.489 1.00 0.00 C ATOM 529 CE2 PHE A 34 -9.081 6.068 0.938 1.00 0.00 C ATOM 530 CZ PHE A 34 -7.987 6.734 0.359 1.00 0.00 C ATOM 0 H PHE A 34 -8.091 0.802 0.742 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.690 2.366 1.285 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.332 2.606 2.786 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.807 3.216 3.395 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.511 4.601 1.315 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.734 4.352 2.078 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.852 6.704 0.045 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.073 6.485 0.847 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.139 7.655 -0.184 1.00 0.00 H new ATOM 540 N LEU A 35 -5.195 0.935 3.344 1.00 0.00 N ATOM 541 CA LEU A 35 -4.912 0.028 4.435 1.00 0.00 C ATOM 542 C LEU A 35 -4.653 0.932 5.620 1.00 0.00 C ATOM 543 O LEU A 35 -3.816 1.828 5.531 1.00 0.00 O ATOM 544 CB LEU A 35 -3.721 -0.893 4.180 1.00 0.00 C ATOM 545 CG LEU A 35 -3.580 -1.839 5.372 1.00 0.00 C ATOM 546 CD1 LEU A 35 -4.717 -2.856 5.354 1.00 0.00 C ATOM 547 CD2 LEU A 35 -2.257 -2.589 5.291 1.00 0.00 C ATOM 0 H LEU A 35 -4.512 1.683 3.228 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.746 -0.658 4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.870 -1.460 3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.810 -0.308 4.050 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.614 -1.252 6.290 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.616 -3.530 6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.672 -2.335 5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.677 -3.431 4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.166 -3.260 6.145 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.223 -3.169 4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.433 -1.875 5.301 1.00 0.00 H new ATOM 559 N GLU A 36 -5.431 0.766 6.679 1.00 0.00 N ATOM 560 CA GLU A 36 -5.246 1.525 7.890 1.00 0.00 C ATOM 561 C GLU A 36 -4.944 0.539 9.000 1.00 0.00 C ATOM 562 O GLU A 36 -5.818 -0.233 9.402 1.00 0.00 O ATOM 563 CB GLU A 36 -6.449 2.403 8.214 1.00 0.00 C ATOM 564 CG GLU A 36 -7.595 2.261 7.216 1.00 0.00 C ATOM 565 CD GLU A 36 -8.697 1.369 7.759 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.018 1.526 8.956 1.00 0.00 O ATOM 567 OE2 GLU A 36 -9.203 0.543 6.973 1.00 0.00 O ATOM 0 H GLU A 36 -6.204 0.102 6.716 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.415 2.220 7.769 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.813 2.153 9.211 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.131 3.445 8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.002 3.245 6.985 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.216 1.846 6.282 1.00 0.00 H new ATOM 574 N LYS A 37 -3.707 0.536 9.488 1.00 0.00 N ATOM 575 CA LYS A 37 -3.344 -0.339 10.575 1.00 0.00 C ATOM 576 C LYS A 37 -4.017 0.239 11.804 1.00 0.00 C ATOM 577 O LYS A 37 -3.556 1.248 12.337 1.00 0.00 O ATOM 578 CB LYS A 37 -1.832 -0.375 10.743 1.00 0.00 C ATOM 579 CG LYS A 37 -1.543 -1.183 11.992 1.00 0.00 C ATOM 580 CD LYS A 37 -0.117 -0.978 12.497 1.00 0.00 C ATOM 581 CE LYS A 37 0.876 -1.578 11.508 1.00 0.00 C ATOM 582 NZ LYS A 37 2.262 -1.263 11.889 1.00 0.00 N ATOM 0 H LYS A 37 -2.951 1.128 9.145 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.661 -1.366 10.397 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.358 -0.828 9.872 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.430 0.634 10.835 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.247 -0.902 12.775 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.704 -2.241 11.783 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.083 0.086 12.626 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.003 -1.446 13.474 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.744 -2.659 11.467 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.675 -1.194 10.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.886 -1.390 11.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.317 -0.277 12.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.565 -1.899 12.654 1.00 0.00 H new ATOM 596 N ASP A 38 -5.147 -0.351 12.191 1.00 0.00 N ATOM 597 CA ASP A 38 -5.934 0.120 13.318 1.00 0.00 C ATOM 598 C ASP A 38 -6.294 1.595 13.135 1.00 0.00 C ATOM 599 O ASP A 38 -6.436 2.320 14.116 1.00 0.00 O ATOM 600 CB ASP A 38 -5.133 -0.055 14.610 1.00 0.00 C ATOM 601 CG ASP A 38 -4.738 -1.501 14.864 1.00 0.00 C ATOM 602 OD1 ASP A 38 -3.641 -1.876 14.391 1.00 0.00 O ATOM 603 OD2 ASP A 38 -5.533 -2.200 15.526 1.00 0.00 O ATOM 0 H ASP A 38 -5.539 -1.171 11.727 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.853 -0.463 13.374 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.234 0.560 14.562 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.723 0.309 15.451 1.00 0.00 H new ATOM 608 N GLY A 39 -6.423 2.064 11.889 1.00 0.00 N ATOM 609 CA GLY A 39 -6.713 3.467 11.683 1.00 0.00 C ATOM 610 C GLY A 39 -5.605 4.175 10.908 1.00 0.00 C ATOM 611 O GLY A 39 -5.884 5.148 10.209 1.00 0.00 O ATOM 0 H GLY A 39 -6.333 1.506 11.040 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.654 3.566 11.142 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.848 3.954 12.649 1.00 0.00 H new ATOM 615 N LYS A 40 -4.354 3.705 10.982 1.00 0.00 N ATOM 616 CA LYS A 40 -3.291 4.363 10.239 1.00 0.00 C ATOM 617 C LYS A 40 -3.398 3.947 8.776 1.00 0.00 C ATOM 618 O LYS A 40 -2.782 2.977 8.334 1.00 0.00 O ATOM 619 CB LYS A 40 -1.936 4.081 10.882 1.00 0.00 C ATOM 620 CG LYS A 40 -1.543 2.616 10.744 1.00 0.00 C ATOM 621 CD LYS A 40 -0.404 2.315 11.705 1.00 0.00 C ATOM 622 CE LYS A 40 -1.010 2.510 13.090 1.00 0.00 C ATOM 623 NZ LYS A 40 -0.073 2.120 14.157 1.00 0.00 N ATOM 0 H LYS A 40 -4.065 2.896 11.533 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.394 5.448 10.271 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.175 4.708 10.417 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.970 4.351 11.937 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.398 1.975 10.961 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.237 2.403 9.720 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.033 1.299 11.574 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.440 2.986 11.543 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.293 3.555 13.219 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.922 1.920 13.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.492 1.355 14.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.817 1.789 13.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.118 2.940 14.768 1.00 0.00 H new ATOM 637 N LYS A 41 -4.271 4.649 8.063 1.00 0.00 N ATOM 638 CA LYS A 41 -4.619 4.330 6.698 1.00 0.00 C ATOM 639 C LYS A 41 -3.789 5.068 5.658 1.00 0.00 C ATOM 640 O LYS A 41 -3.327 6.188 5.864 1.00 0.00 O ATOM 641 CB LYS A 41 -6.123 4.538 6.535 1.00 0.00 C ATOM 642 CG LYS A 41 -6.643 5.015 5.182 1.00 0.00 C ATOM 643 CD LYS A 41 -6.274 6.484 4.960 1.00 0.00 C ATOM 644 CE LYS A 41 -6.963 7.036 3.713 1.00 0.00 C ATOM 645 NZ LYS A 41 -8.421 7.133 3.900 1.00 0.00 N ATOM 0 H LYS A 41 -4.760 5.466 8.429 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.373 3.286 6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.617 3.594 6.767 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.443 5.259 7.287 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.220 4.402 4.386 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.725 4.894 5.137 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.564 7.072 5.831 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.193 6.580 4.856 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.559 8.021 3.479 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.746 6.392 2.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.903 6.571 3.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.675 6.769 4.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.716 8.127 3.822 1.00 0.00 H new ATOM 659 N VAL A 42 -3.672 4.420 4.504 1.00 0.00 N ATOM 660 CA VAL A 42 -2.950 4.887 3.330 1.00 0.00 C ATOM 661 C VAL A 42 -3.567 4.282 2.085 1.00 0.00 C ATOM 662 O VAL A 42 -4.308 3.306 2.188 1.00 0.00 O ATOM 663 CB VAL A 42 -1.493 4.454 3.419 1.00 0.00 C ATOM 664 CG1 VAL A 42 -0.766 5.383 4.385 1.00 0.00 C ATOM 665 CG2 VAL A 42 -1.435 3.003 3.888 1.00 0.00 C ATOM 0 H VAL A 42 -4.102 3.507 4.357 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.008 5.974 3.283 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.006 4.517 2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.280 5.085 4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.826 6.408 4.019 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.231 5.321 5.369 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.395 2.684 3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.904 2.918 4.868 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.964 2.369 3.176 1.00 0.00 H new ATOM 675 N ASN A 43 -3.292 4.853 0.908 1.00 0.00 N ATOM 676 CA ASN A 43 -3.814 4.340 -0.348 1.00 0.00 C ATOM 677 C ASN A 43 -3.151 3.013 -0.640 1.00 0.00 C ATOM 678 O ASN A 43 -2.043 2.960 -1.162 1.00 0.00 O ATOM 679 CB ASN A 43 -3.590 5.338 -1.480 1.00 0.00 C ATOM 680 CG ASN A 43 -4.152 4.845 -2.810 1.00 0.00 C ATOM 681 OD1 ASN A 43 -3.453 4.823 -3.815 1.00 0.00 O ATOM 682 ND2 ASN A 43 -5.414 4.438 -2.856 1.00 0.00 N ATOM 0 H ASN A 43 -2.703 5.680 0.807 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.891 4.193 -0.267 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.058 6.288 -1.221 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.522 5.527 -1.588 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.810 4.103 -3.734 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.988 4.460 -2.013 1.00 0.00 H new ATOM 689 N ALA A 44 -3.876 1.958 -0.294 1.00 0.00 N ATOM 690 CA ALA A 44 -3.496 0.565 -0.382 1.00 0.00 C ATOM 691 C ALA A 44 -2.921 0.201 -1.743 1.00 0.00 C ATOM 692 O ALA A 44 -1.957 -0.554 -1.834 1.00 0.00 O ATOM 693 CB ALA A 44 -4.749 -0.269 -0.151 1.00 0.00 C ATOM 0 H ALA A 44 -4.817 2.069 0.084 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.723 0.373 0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.497 -1.328 -0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.156 -0.048 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.491 -0.029 -0.912 1.00 0.00 H new ATOM 699 N LYS A 45 -3.534 0.734 -2.797 1.00 0.00 N ATOM 700 CA LYS A 45 -3.109 0.457 -4.158 1.00 0.00 C ATOM 701 C LYS A 45 -1.813 1.188 -4.523 1.00 0.00 C ATOM 702 O LYS A 45 -1.174 0.845 -5.516 1.00 0.00 O ATOM 703 CB LYS A 45 -4.246 0.798 -5.119 1.00 0.00 C ATOM 704 CG LYS A 45 -4.726 2.238 -4.955 1.00 0.00 C ATOM 705 CD LYS A 45 -5.498 2.631 -6.215 1.00 0.00 C ATOM 706 CE LYS A 45 -6.731 1.746 -6.403 1.00 0.00 C ATOM 707 NZ LYS A 45 -7.354 1.991 -7.715 1.00 0.00 N ATOM 0 H LYS A 45 -4.333 1.365 -2.729 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.881 -0.606 -4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.912 0.643 -6.145 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.080 0.117 -4.949 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.363 2.328 -4.075 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.878 2.906 -4.805 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.803 3.675 -6.148 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.848 2.544 -7.086 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.447 0.697 -6.320 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.452 1.945 -5.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.126 1.311 -7.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.734 2.959 -7.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.642 1.877 -8.464 1.00 0.00 H new ATOM 721 N SER A 46 -1.453 2.219 -3.759 1.00 0.00 N ATOM 722 CA SER A 46 -0.232 2.981 -3.968 1.00 0.00 C ATOM 723 C SER A 46 0.881 2.629 -2.987 1.00 0.00 C ATOM 724 O SER A 46 0.666 1.966 -1.976 1.00 0.00 O ATOM 725 CB SER A 46 -0.513 4.469 -3.826 1.00 0.00 C ATOM 726 OG SER A 46 -1.065 4.971 -5.021 1.00 0.00 O ATOM 0 H SER A 46 -2.010 2.548 -2.970 1.00 0.00 H new ATOM 0 HA SER A 46 0.104 2.726 -4.973 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.201 4.640 -2.998 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.409 5.001 -3.590 1.00 0.00 H new ATOM 0 HG SER A 46 -2.035 5.067 -4.918 1.00 0.00 H new ATOM 732 N ILE A 47 2.065 3.177 -3.276 1.00 0.00 N ATOM 733 CA ILE A 47 3.294 3.076 -2.495 1.00 0.00 C ATOM 734 C ILE A 47 3.065 3.095 -0.987 1.00 0.00 C ATOM 735 O ILE A 47 3.439 2.159 -0.293 1.00 0.00 O ATOM 736 CB ILE A 47 4.247 4.204 -2.927 1.00 0.00 C ATOM 737 CG1 ILE A 47 5.486 4.332 -2.032 1.00 0.00 C ATOM 738 CG2 ILE A 47 3.549 5.564 -3.007 1.00 0.00 C ATOM 739 CD1 ILE A 47 5.188 5.125 -0.754 1.00 0.00 C ATOM 0 H ILE A 47 2.195 3.739 -4.117 1.00 0.00 H new ATOM 0 HA ILE A 47 3.739 2.103 -2.701 1.00 0.00 H new ATOM 0 HB ILE A 47 4.576 3.911 -3.924 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.847 3.338 -1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.285 4.824 -2.586 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.267 6.324 -3.316 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.738 5.514 -3.733 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.145 5.824 -2.029 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.092 5.192 -0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.853 6.128 -1.018 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.407 4.619 -0.186 1.00 0.00 H new ATOM 751 N MET A 48 2.473 4.164 -0.462 1.00 0.00 N ATOM 752 CA MET A 48 2.329 4.291 0.978 1.00 0.00 C ATOM 753 C MET A 48 1.310 3.307 1.553 1.00 0.00 C ATOM 754 O MET A 48 1.402 2.916 2.719 1.00 0.00 O ATOM 755 CB MET A 48 1.997 5.739 1.321 1.00 0.00 C ATOM 756 CG MET A 48 2.017 5.906 2.838 1.00 0.00 C ATOM 757 SD MET A 48 1.637 7.573 3.417 1.00 0.00 S ATOM 758 CE MET A 48 1.672 7.267 5.193 1.00 0.00 C ATOM 0 H MET A 48 2.093 4.940 -1.004 1.00 0.00 H new ATOM 0 HA MET A 48 3.276 4.027 1.449 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.720 6.411 0.858 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.017 6.005 0.926 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.300 5.211 3.276 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.002 5.623 3.208 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.685 7.456 5.614 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.953 6.230 5.378 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.399 7.930 5.662 1.00 0.00 H new ATOM 768 N GLY A 49 0.330 2.896 0.750 1.00 0.00 N ATOM 769 CA GLY A 49 -0.640 1.937 1.223 1.00 0.00 C ATOM 770 C GLY A 49 0.018 0.570 1.274 1.00 0.00 C ATOM 771 O GLY A 49 -0.106 -0.119 2.276 1.00 0.00 O ATOM 0 H GLY A 49 0.196 3.210 -0.211 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.002 2.220 2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.506 1.916 0.561 1.00 0.00 H new ATOM 775 N LEU A 50 0.737 0.210 0.212 1.00 0.00 N ATOM 776 CA LEU A 50 1.455 -1.032 0.059 1.00 0.00 C ATOM 777 C LEU A 50 2.668 -1.101 0.981 1.00 0.00 C ATOM 778 O LEU A 50 2.690 -1.852 1.950 1.00 0.00 O ATOM 779 CB LEU A 50 1.866 -1.099 -1.419 1.00 0.00 C ATOM 780 CG LEU A 50 3.113 -1.931 -1.724 1.00 0.00 C ATOM 781 CD1 LEU A 50 3.014 -3.303 -1.079 1.00 0.00 C ATOM 782 CD2 LEU A 50 3.268 -2.089 -3.233 1.00 0.00 C ATOM 0 H LEU A 50 0.833 0.817 -0.602 1.00 0.00 H new ATOM 0 HA LEU A 50 0.832 -1.882 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.032 -1.505 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.033 -0.083 -1.777 1.00 0.00 H new ATOM 0 HG LEU A 50 3.982 -1.415 -1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.911 -3.878 -1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.921 -3.191 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.139 -3.825 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.157 -2.682 -3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.390 -2.592 -3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.368 -1.106 -3.693 1.00 0.00 H new ATOM 794 N MET A 51 3.695 -0.331 0.644 1.00 0.00 N ATOM 795 CA MET A 51 4.985 -0.363 1.290 1.00 0.00 C ATOM 796 C MET A 51 4.961 0.263 2.676 1.00 0.00 C ATOM 797 O MET A 51 5.724 -0.154 3.539 1.00 0.00 O ATOM 798 CB MET A 51 5.956 0.408 0.399 1.00 0.00 C ATOM 799 CG MET A 51 7.354 0.462 1.009 1.00 0.00 C ATOM 800 SD MET A 51 8.348 1.828 0.376 1.00 0.00 S ATOM 801 CE MET A 51 7.260 3.191 0.847 1.00 0.00 C ATOM 0 H MET A 51 3.643 0.352 -0.112 1.00 0.00 H new ATOM 0 HA MET A 51 5.288 -1.402 1.423 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.004 -0.064 -0.582 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.585 1.422 0.247 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.268 0.554 2.092 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.868 -0.478 0.808 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.759 4.140 0.651 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.339 3.139 0.266 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.024 3.118 1.909 1.00 0.00 H new ATOM 811 N SER A 52 4.155 1.301 2.892 1.00 0.00 N ATOM 812 CA SER A 52 4.153 1.935 4.195 1.00 0.00 C ATOM 813 C SER A 52 3.301 1.159 5.197 1.00 0.00 C ATOM 814 O SER A 52 3.827 0.588 6.146 1.00 0.00 O ATOM 815 CB SER A 52 3.710 3.392 4.078 1.00 0.00 C ATOM 816 OG SER A 52 4.433 4.043 3.050 1.00 0.00 O ATOM 0 H SER A 52 3.519 1.705 2.205 1.00 0.00 H new ATOM 0 HA SER A 52 5.173 1.925 4.580 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.642 3.439 3.867 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.870 3.905 5.026 1.00 0.00 H new ATOM 0 HG SER A 52 5.050 4.693 3.446 1.00 0.00 H new ATOM 822 N LEU A 53 1.982 1.156 5.017 1.00 0.00 N ATOM 823 CA LEU A 53 1.108 0.517 5.991 1.00 0.00 C ATOM 824 C LEU A 53 1.029 -0.990 5.800 1.00 0.00 C ATOM 825 O LEU A 53 1.305 -1.761 6.721 1.00 0.00 O ATOM 826 CB LEU A 53 -0.274 1.145 5.960 1.00 0.00 C ATOM 827 CG LEU A 53 -0.215 2.487 6.685 1.00 0.00 C ATOM 828 CD1 LEU A 53 0.370 2.307 8.083 1.00 0.00 C ATOM 829 CD2 LEU A 53 0.646 3.473 5.903 1.00 0.00 C ATOM 0 H LEU A 53 1.505 1.580 4.222 1.00 0.00 H new ATOM 0 HA LEU A 53 1.545 0.684 6.975 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.603 1.285 4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.999 0.487 6.439 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.229 2.878 6.765 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.406 3.272 8.589 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.256 1.621 8.654 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.378 1.899 8.006 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.679 4.426 6.431 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.657 3.076 5.806 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.218 3.623 4.912 1.00 0.00 H new ATOM 841 N ALA A 54 0.655 -1.404 4.590 1.00 0.00 N ATOM 842 CA ALA A 54 0.476 -2.791 4.205 1.00 0.00 C ATOM 843 C ALA A 54 1.729 -3.639 4.428 1.00 0.00 C ATOM 844 O ALA A 54 1.626 -4.859 4.482 1.00 0.00 O ATOM 845 CB ALA A 54 -0.007 -2.838 2.760 1.00 0.00 C ATOM 0 H ALA A 54 0.463 -0.754 3.828 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.279 -3.238 4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.146 -3.876 2.456 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.954 -2.305 2.675 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.733 -2.367 2.113 1.00 0.00 H new ATOM 851 N VAL A 55 2.895 -3.015 4.602 1.00 0.00 N ATOM 852 CA VAL A 55 4.123 -3.724 4.913 1.00 0.00 C ATOM 853 C VAL A 55 4.130 -4.259 6.355 1.00 0.00 C ATOM 854 O VAL A 55 5.037 -4.990 6.750 1.00 0.00 O ATOM 855 CB VAL A 55 5.321 -2.812 4.652 1.00 0.00 C ATOM 856 CG1 VAL A 55 5.546 -1.856 5.823 1.00 0.00 C ATOM 857 CG2 VAL A 55 6.571 -3.666 4.454 1.00 0.00 C ATOM 0 H VAL A 55 3.008 -2.004 4.530 1.00 0.00 H new ATOM 0 HA VAL A 55 4.191 -4.595 4.261 1.00 0.00 H new ATOM 0 HB VAL A 55 5.119 -2.224 3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.404 -1.218 5.612 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.660 -1.237 5.963 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.735 -2.430 6.730 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.428 -3.019 4.267 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.752 -4.259 5.350 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.426 -4.331 3.602 1.00 0.00 H new ATOM 867 N SER A 56 3.132 -3.914 7.171 1.00 0.00 N ATOM 868 CA SER A 56 3.135 -4.319 8.565 1.00 0.00 C ATOM 869 C SER A 56 2.693 -5.762 8.793 1.00 0.00 C ATOM 870 O SER A 56 1.678 -6.000 9.458 1.00 0.00 O ATOM 871 CB SER A 56 2.271 -3.358 9.377 1.00 0.00 C ATOM 872 OG SER A 56 2.646 -2.017 9.126 1.00 0.00 O ATOM 0 H SER A 56 2.323 -3.361 6.888 1.00 0.00 H new ATOM 0 HA SER A 56 4.171 -4.275 8.902 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.221 -3.501 9.123 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.374 -3.577 10.440 1.00 0.00 H new ATOM 0 HG SER A 56 2.255 -1.721 8.277 1.00 0.00 H new ATOM 878 N THR A 57 3.457 -6.718 8.261 1.00 0.00 N ATOM 879 CA THR A 57 3.227 -8.137 8.452 1.00 0.00 C ATOM 880 C THR A 57 2.930 -8.464 9.913 1.00 0.00 C ATOM 881 O THR A 57 3.740 -8.194 10.796 1.00 0.00 O ATOM 882 CB THR A 57 4.462 -8.915 8.012 1.00 0.00 C ATOM 883 OG1 THR A 57 5.084 -8.276 6.918 1.00 0.00 O ATOM 884 CG2 THR A 57 4.004 -10.313 7.615 1.00 0.00 C ATOM 0 H THR A 57 4.267 -6.515 7.675 1.00 0.00 H new ATOM 0 HA THR A 57 2.362 -8.421 7.852 1.00 0.00 H new ATOM 0 HB THR A 57 5.189 -8.964 8.823 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.014 -8.577 6.849 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.864 -10.900 7.293 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.533 -10.798 8.470 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.287 -10.242 6.797 1.00 0.00 H new ATOM 892 N GLY A 58 1.758 -9.036 10.166 1.00 0.00 N ATOM 893 CA GLY A 58 1.361 -9.432 11.500 1.00 0.00 C ATOM 894 C GLY A 58 0.433 -8.434 12.182 1.00 0.00 C ATOM 895 O GLY A 58 -0.004 -8.700 13.302 1.00 0.00 O ATOM 0 H GLY A 58 1.061 -9.235 9.448 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.865 -10.401 11.450 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.254 -9.562 12.112 1.00 0.00 H new ATOM 899 N THR A 59 0.099 -7.305 11.549 1.00 0.00 N ATOM 900 CA THR A 59 -0.819 -6.383 12.194 1.00 0.00 C ATOM 901 C THR A 59 -2.236 -6.734 11.753 1.00 0.00 C ATOM 902 O THR A 59 -2.426 -7.160 10.616 1.00 0.00 O ATOM 903 CB THR A 59 -0.491 -4.934 11.813 1.00 0.00 C ATOM 904 OG1 THR A 59 0.901 -4.704 11.747 1.00 0.00 O ATOM 905 CG2 THR A 59 -1.071 -4.003 12.872 1.00 0.00 C ATOM 0 H THR A 59 0.438 -7.022 10.630 1.00 0.00 H new ATOM 0 HA THR A 59 -0.727 -6.471 13.277 1.00 0.00 H new ATOM 0 HB THR A 59 -0.921 -4.746 10.829 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.280 -5.205 10.995 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.844 -2.969 12.611 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.152 -4.136 12.921 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.633 -4.237 13.842 1.00 0.00 H new ATOM 913 N GLU A 60 -3.244 -6.584 12.614 1.00 0.00 N ATOM 914 CA GLU A 60 -4.604 -6.782 12.139 1.00 0.00 C ATOM 915 C GLU A 60 -5.009 -5.469 11.481 1.00 0.00 C ATOM 916 O GLU A 60 -5.553 -4.563 12.109 1.00 0.00 O ATOM 917 CB GLU A 60 -5.559 -7.207 13.245 1.00 0.00 C ATOM 918 CG GLU A 60 -4.946 -8.267 14.161 1.00 0.00 C ATOM 919 CD GLU A 60 -4.934 -9.643 13.510 1.00 0.00 C ATOM 920 OE1 GLU A 60 -5.618 -9.799 12.475 1.00 0.00 O ATOM 921 OE2 GLU A 60 -4.243 -10.521 14.070 1.00 0.00 O ATOM 0 H GLU A 60 -3.149 -6.337 13.599 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.652 -7.606 11.427 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.838 -6.335 13.837 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.475 -7.598 12.802 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.927 -7.979 14.419 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.510 -8.311 15.093 1.00 0.00 H new ATOM 928 N VAL A 61 -4.628 -5.355 10.218 1.00 0.00 N ATOM 929 CA VAL A 61 -4.782 -4.169 9.413 1.00 0.00 C ATOM 930 C VAL A 61 -6.150 -4.060 8.789 1.00 0.00 C ATOM 931 O VAL A 61 -6.813 -5.061 8.522 1.00 0.00 O ATOM 932 CB VAL A 61 -3.680 -4.095 8.361 1.00 0.00 C ATOM 933 CG1 VAL A 61 -2.947 -2.871 8.824 1.00 0.00 C ATOM 934 CG2 VAL A 61 -2.685 -5.252 8.455 1.00 0.00 C ATOM 0 H VAL A 61 -4.186 -6.122 9.712 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.687 -3.312 10.079 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.079 -4.105 7.347 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.106 -2.677 8.158 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.623 -2.016 8.814 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.578 -3.029 9.837 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.926 -5.143 7.681 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.208 -5.243 9.435 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.211 -6.197 8.317 1.00 0.00 H new ATOM 944 N THR A 62 -6.574 -2.828 8.535 1.00 0.00 N ATOM 945 CA THR A 62 -7.881 -2.676 7.960 1.00 0.00 C ATOM 946 C THR A 62 -7.763 -2.337 6.483 1.00 0.00 C ATOM 947 O THR A 62 -7.151 -1.334 6.120 1.00 0.00 O ATOM 948 CB THR A 62 -8.709 -1.651 8.735 1.00 0.00 C ATOM 949 OG1 THR A 62 -8.225 -1.475 10.051 1.00 0.00 O ATOM 950 CG2 THR A 62 -10.156 -2.126 8.801 1.00 0.00 C ATOM 0 H THR A 62 -6.055 -1.968 8.711 1.00 0.00 H new ATOM 0 HA THR A 62 -8.417 -3.622 8.037 1.00 0.00 H new ATOM 0 HB THR A 62 -8.637 -0.696 8.214 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.372 -0.993 10.024 1.00 0.00 H new ATOM 0 HG21 THR A 62 -10.753 -1.399 9.353 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.552 -2.228 7.791 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.200 -3.090 9.307 1.00 0.00 H new ATOM 958 N LEU A 63 -8.306 -3.185 5.618 1.00 0.00 N ATOM 959 CA LEU A 63 -8.214 -2.940 4.199 1.00 0.00 C ATOM 960 C LEU A 63 -9.512 -2.358 3.667 1.00 0.00 C ATOM 961 O LEU A 63 -10.561 -3.003 3.660 1.00 0.00 O ATOM 962 CB LEU A 63 -7.780 -4.204 3.475 1.00 0.00 C ATOM 963 CG LEU A 63 -6.875 -3.791 2.318 1.00 0.00 C ATOM 964 CD1 LEU A 63 -6.147 -5.029 1.819 1.00 0.00 C ATOM 965 CD2 LEU A 63 -7.687 -3.165 1.188 1.00 0.00 C ATOM 0 H LEU A 63 -8.807 -4.035 5.877 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.446 -2.190 4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.250 -4.871 4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.648 -4.750 3.105 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.159 -3.044 2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.493 -4.757 0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.551 -5.452 2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.874 -5.767 1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.019 -2.879 0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.417 -3.887 0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.206 -2.281 1.559 1.00 0.00 H new ATOM 977 N ILE A 64 -9.409 -1.101 3.257 1.00 0.00 N ATOM 978 CA ILE A 64 -10.442 -0.287 2.672 1.00 0.00 C ATOM 979 C ILE A 64 -10.330 -0.330 1.162 1.00 0.00 C ATOM 980 O ILE A 64 -9.270 -0.553 0.583 1.00 0.00 O ATOM 981 CB ILE A 64 -10.209 1.182 3.070 1.00 0.00 C ATOM 982 CG1 ILE A 64 -10.407 1.417 4.556 1.00 0.00 C ATOM 983 CG2 ILE A 64 -11.158 2.136 2.346 1.00 0.00 C ATOM 984 CD1 ILE A 64 -10.117 2.874 4.897 1.00 0.00 C ATOM 0 H ILE A 64 -8.528 -0.593 3.335 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.409 -0.656 3.013 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.176 1.382 2.787 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -11.429 1.165 4.839 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.748 0.763 5.127 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.954 3.160 2.660 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.009 2.050 1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.189 1.879 2.591 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -10.262 3.033 5.966 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.087 3.112 4.631 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -10.795 3.520 4.339 1.00 0.00 H new ATOM 996 N ALA A 65 -11.447 -0.035 0.532 1.00 0.00 N ATOM 997 CA ALA A 65 -11.521 0.300 -0.856 1.00 0.00 C ATOM 998 C ALA A 65 -12.568 1.384 -0.851 1.00 0.00 C ATOM 999 O ALA A 65 -13.711 1.150 -0.461 1.00 0.00 O ATOM 1000 CB ALA A 65 -11.923 -0.900 -1.683 1.00 0.00 C ATOM 0 H ALA A 65 -12.355 -0.024 0.997 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.578 0.620 -1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.972 -0.617 -2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.187 -1.694 -1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.901 -1.255 -1.357 1.00 0.00 H new ATOM 1006 N GLN A 66 -12.165 2.605 -1.164 1.00 0.00 N ATOM 1007 CA GLN A 66 -13.134 3.660 -1.131 1.00 0.00 C ATOM 1008 C GLN A 66 -13.380 4.131 -2.553 1.00 0.00 C ATOM 1009 O GLN A 66 -12.929 5.188 -2.990 1.00 0.00 O ATOM 1010 CB GLN A 66 -12.684 4.700 -0.101 1.00 0.00 C ATOM 1011 CG GLN A 66 -11.794 5.809 -0.650 1.00 0.00 C ATOM 1012 CD GLN A 66 -12.191 7.177 -0.122 1.00 0.00 C ATOM 1013 OE1 GLN A 66 -12.657 8.017 -0.889 1.00 0.00 O ATOM 1014 NE2 GLN A 66 -12.005 7.424 1.171 1.00 0.00 N ATOM 0 H GLN A 66 -11.217 2.872 -1.430 1.00 0.00 H new ATOM 0 HA GLN A 66 -14.119 3.351 -0.781 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -13.569 5.153 0.346 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -12.149 4.189 0.699 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -10.757 5.606 -0.384 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -11.849 5.811 -1.739 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.616 6.702 1.777 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.252 8.335 1.557 1.00 0.00 H new ATOM 1023 N GLY A 67 -14.039 3.284 -3.329 1.00 0.00 N ATOM 1024 CA GLY A 67 -14.355 3.608 -4.698 1.00 0.00 C ATOM 1025 C GLY A 67 -15.572 2.841 -5.169 1.00 0.00 C ATOM 1026 O GLY A 67 -16.386 2.376 -4.372 1.00 0.00 O ATOM 0 H GLY A 67 -14.363 2.366 -3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.538 4.679 -4.789 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.503 3.374 -5.337 1.00 0.00 H new ATOM 1030 N GLU A 68 -15.663 2.708 -6.488 1.00 0.00 N ATOM 1031 CA GLU A 68 -16.726 2.003 -7.173 1.00 0.00 C ATOM 1032 C GLU A 68 -16.843 0.578 -6.651 1.00 0.00 C ATOM 1033 O GLU A 68 -17.947 0.074 -6.467 1.00 0.00 O ATOM 1034 CB GLU A 68 -16.446 2.029 -8.672 1.00 0.00 C ATOM 1035 CG GLU A 68 -16.363 3.487 -9.119 1.00 0.00 C ATOM 1036 CD GLU A 68 -14.942 3.975 -9.344 1.00 0.00 C ATOM 1037 OE1 GLU A 68 -14.246 4.195 -8.328 1.00 0.00 O ATOM 1038 OE2 GLU A 68 -14.569 4.114 -10.526 1.00 0.00 O ATOM 0 H GLU A 68 -14.972 3.104 -7.126 1.00 0.00 H new ATOM 0 HA GLU A 68 -17.681 2.494 -6.984 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.513 1.510 -8.893 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -17.236 1.510 -9.215 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -16.930 3.608 -10.042 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -16.839 4.116 -8.367 1.00 0.00 H new ATOM 1045 N ASP A 69 -15.710 -0.073 -6.390 1.00 0.00 N ATOM 1046 CA ASP A 69 -15.754 -1.386 -5.799 1.00 0.00 C ATOM 1047 C ASP A 69 -15.290 -1.190 -4.376 1.00 0.00 C ATOM 1048 O ASP A 69 -14.234 -1.705 -4.042 1.00 0.00 O ATOM 1049 CB ASP A 69 -14.802 -2.352 -6.512 1.00 0.00 C ATOM 1050 CG ASP A 69 -15.025 -2.432 -8.011 1.00 0.00 C ATOM 1051 OD1 ASP A 69 -15.841 -3.286 -8.417 1.00 0.00 O ATOM 1052 OD2 ASP A 69 -14.348 -1.651 -8.716 1.00 0.00 O ATOM 0 H ASP A 69 -14.775 0.288 -6.578 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.754 -1.814 -5.869 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.774 -2.042 -6.322 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.919 -3.347 -6.082 1.00 0.00 H new ATOM 1057 N GLU A 70 -15.954 -0.378 -3.554 1.00 0.00 N ATOM 1058 CA GLU A 70 -15.481 -0.190 -2.205 1.00 0.00 C ATOM 1059 C GLU A 70 -15.501 -1.533 -1.490 1.00 0.00 C ATOM 1060 O GLU A 70 -14.448 -2.138 -1.303 1.00 0.00 O ATOM 1061 CB GLU A 70 -16.254 0.944 -1.531 1.00 0.00 C ATOM 1062 CG GLU A 70 -17.776 0.855 -1.590 1.00 0.00 C ATOM 1063 CD GLU A 70 -18.338 0.541 -0.216 1.00 0.00 C ATOM 1064 OE1 GLU A 70 -18.157 1.387 0.685 1.00 0.00 O ATOM 1065 OE2 GLU A 70 -18.916 -0.560 -0.095 1.00 0.00 O ATOM 0 H GLU A 70 -16.797 0.142 -3.799 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.443 0.142 -2.174 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.954 0.987 -0.484 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.949 1.885 -1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -18.188 1.796 -1.953 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -18.075 0.082 -2.298 1.00 0.00 H new ATOM 1072 N GLN A 71 -16.689 -2.055 -1.179 1.00 0.00 N ATOM 1073 CA GLN A 71 -16.824 -3.349 -0.537 1.00 0.00 C ATOM 1074 C GLN A 71 -16.100 -4.456 -1.296 1.00 0.00 C ATOM 1075 O GLN A 71 -15.462 -5.306 -0.684 1.00 0.00 O ATOM 1076 CB GLN A 71 -18.303 -3.698 -0.404 1.00 0.00 C ATOM 1077 CG GLN A 71 -18.807 -3.257 0.968 1.00 0.00 C ATOM 1078 CD GLN A 71 -18.096 -3.989 2.101 1.00 0.00 C ATOM 1079 OE1 GLN A 71 -18.142 -3.556 3.248 1.00 0.00 O ATOM 1080 NE2 GLN A 71 -17.419 -5.093 1.796 1.00 0.00 N ATOM 0 H GLN A 71 -17.577 -1.589 -1.367 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.361 -3.277 0.447 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -18.876 -3.206 -1.190 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -18.447 -4.771 -0.529 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -18.658 -2.183 1.081 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -19.880 -3.439 1.036 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -17.399 -5.429 0.833 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -16.920 -5.603 2.525 1.00 0.00 H new ATOM 1089 N GLU A 72 -16.216 -4.449 -2.622 1.00 0.00 N ATOM 1090 CA GLU A 72 -15.631 -5.463 -3.474 1.00 0.00 C ATOM 1091 C GLU A 72 -14.114 -5.495 -3.308 1.00 0.00 C ATOM 1092 O GLU A 72 -13.511 -6.543 -3.063 1.00 0.00 O ATOM 1093 CB GLU A 72 -16.035 -5.120 -4.913 1.00 0.00 C ATOM 1094 CG GLU A 72 -15.250 -5.891 -5.974 1.00 0.00 C ATOM 1095 CD GLU A 72 -15.396 -7.400 -5.845 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -16.471 -7.838 -5.383 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -14.416 -8.083 -6.214 1.00 0.00 O ATOM 0 H GLU A 72 -16.726 -3.728 -3.133 1.00 0.00 H new ATOM 0 HA GLU A 72 -15.990 -6.457 -3.208 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.098 -5.325 -5.041 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -15.894 -4.051 -5.075 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.588 -5.582 -6.963 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.195 -5.626 -5.901 1.00 0.00 H new ATOM 1104 N ALA A 73 -13.512 -4.319 -3.453 1.00 0.00 N ATOM 1105 CA ALA A 73 -12.084 -4.144 -3.410 1.00 0.00 C ATOM 1106 C ALA A 73 -11.547 -4.451 -2.026 1.00 0.00 C ATOM 1107 O ALA A 73 -10.602 -5.226 -1.874 1.00 0.00 O ATOM 1108 CB ALA A 73 -11.820 -2.708 -3.823 1.00 0.00 C ATOM 0 H ALA A 73 -14.023 -3.450 -3.606 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.572 -4.831 -4.084 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.747 -2.517 -3.809 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.205 -2.542 -4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.318 -2.032 -3.128 1.00 0.00 H new ATOM 1114 N LEU A 74 -12.175 -3.845 -1.018 1.00 0.00 N ATOM 1115 CA LEU A 74 -11.799 -4.018 0.367 1.00 0.00 C ATOM 1116 C LEU A 74 -11.871 -5.492 0.759 1.00 0.00 C ATOM 1117 O LEU A 74 -10.956 -5.986 1.413 1.00 0.00 O ATOM 1118 CB LEU A 74 -12.649 -3.085 1.230 1.00 0.00 C ATOM 1119 CG LEU A 74 -14.134 -3.421 1.163 1.00 0.00 C ATOM 1120 CD1 LEU A 74 -14.507 -4.453 2.209 1.00 0.00 C ATOM 1121 CD2 LEU A 74 -14.952 -2.161 1.407 1.00 0.00 C ATOM 0 H LEU A 74 -12.966 -3.215 -1.152 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.760 -3.734 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.312 -3.145 2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.497 -2.056 0.905 1.00 0.00 H new ATOM 0 HG LEU A 74 -14.345 -3.828 0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -15.572 -4.674 2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -13.935 -5.365 2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -14.282 -4.063 3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -16.014 -2.402 1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -14.715 -1.759 2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.713 -1.419 0.645 1.00 0.00 H new ATOM 1133 N GLU A 75 -12.914 -6.211 0.327 1.00 0.00 N ATOM 1134 CA GLU A 75 -13.024 -7.628 0.626 1.00 0.00 C ATOM 1135 C GLU A 75 -11.903 -8.428 -0.024 1.00 0.00 C ATOM 1136 O GLU A 75 -11.191 -9.143 0.679 1.00 0.00 O ATOM 1137 CB GLU A 75 -14.384 -8.174 0.200 1.00 0.00 C ATOM 1138 CG GLU A 75 -15.506 -7.531 1.016 1.00 0.00 C ATOM 1139 CD GLU A 75 -15.347 -7.730 2.519 1.00 0.00 C ATOM 1140 OE1 GLU A 75 -14.516 -8.576 2.915 1.00 0.00 O ATOM 1141 OE2 GLU A 75 -16.077 -7.021 3.245 1.00 0.00 O ATOM 0 H GLU A 75 -13.683 -5.832 -0.225 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.930 -7.738 1.706 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.543 -7.980 -0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.405 -9.256 0.333 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.538 -6.463 0.799 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.462 -7.949 0.700 1.00 0.00 H new ATOM 1148 N LYS A 76 -11.733 -8.329 -1.350 1.00 0.00 N ATOM 1149 CA LYS A 76 -10.687 -9.104 -2.014 1.00 0.00 C ATOM 1150 C LYS A 76 -9.331 -8.828 -1.384 1.00 0.00 C ATOM 1151 O LYS A 76 -8.595 -9.750 -1.039 1.00 0.00 O ATOM 1152 CB LYS A 76 -10.609 -8.799 -3.506 1.00 0.00 C ATOM 1153 CG LYS A 76 -11.987 -8.852 -4.149 1.00 0.00 C ATOM 1154 CD LYS A 76 -11.894 -9.437 -5.563 1.00 0.00 C ATOM 1155 CE LYS A 76 -10.673 -8.946 -6.349 1.00 0.00 C ATOM 1156 NZ LYS A 76 -10.642 -9.538 -7.696 1.00 0.00 N ATOM 0 H LYS A 76 -12.291 -7.737 -1.965 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.949 -10.155 -1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.172 -7.812 -3.656 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.949 -9.517 -3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.656 -9.460 -3.540 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.415 -7.850 -4.190 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.860 -10.524 -5.496 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.798 -9.180 -6.114 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.698 -7.859 -6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.761 -9.207 -5.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.807 -9.191 -8.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.595 -10.574 -7.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.503 -9.268 -8.214 1.00 0.00 H new ATOM 1170 N LEU A 77 -9.018 -7.545 -1.225 1.00 0.00 N ATOM 1171 CA LEU A 77 -7.772 -7.107 -0.630 1.00 0.00 C ATOM 1172 C LEU A 77 -7.594 -7.659 0.781 1.00 0.00 C ATOM 1173 O LEU A 77 -6.606 -8.344 1.037 1.00 0.00 O ATOM 1174 CB LEU A 77 -7.765 -5.589 -0.636 1.00 0.00 C ATOM 1175 CG LEU A 77 -7.101 -5.053 -1.898 1.00 0.00 C ATOM 1176 CD1 LEU A 77 -5.615 -4.988 -1.604 1.00 0.00 C ATOM 1177 CD2 LEU A 77 -7.259 -5.995 -3.084 1.00 0.00 C ATOM 0 H LEU A 77 -9.630 -6.780 -1.509 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.932 -7.489 -1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.787 -5.216 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.236 -5.220 0.243 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.556 -4.095 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.087 -4.609 -2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.440 -4.323 -0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.248 -5.986 -1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.768 -5.566 -3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.804 -6.957 -2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.318 -6.138 -3.297 1.00 0.00 H new ATOM 1189 N ALA A 78 -8.526 -7.379 1.698 1.00 0.00 N ATOM 1190 CA ALA A 78 -8.429 -7.881 3.065 1.00 0.00 C ATOM 1191 C ALA A 78 -8.404 -9.409 3.091 1.00 0.00 C ATOM 1192 O ALA A 78 -7.895 -10.011 4.032 1.00 0.00 O ATOM 1193 CB ALA A 78 -9.535 -7.311 3.951 1.00 0.00 C ATOM 0 H ALA A 78 -9.352 -6.809 1.516 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.482 -7.535 3.480 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.432 -7.706 4.962 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.457 -6.224 3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.507 -7.595 3.548 1.00 0.00 H new ATOM 1199 N ALA A 79 -8.941 -10.066 2.069 1.00 0.00 N ATOM 1200 CA ALA A 79 -8.787 -11.496 1.965 1.00 0.00 C ATOM 1201 C ALA A 79 -7.325 -11.812 1.653 1.00 0.00 C ATOM 1202 O ALA A 79 -6.648 -12.509 2.411 1.00 0.00 O ATOM 1203 CB ALA A 79 -9.657 -11.998 0.821 1.00 0.00 C ATOM 0 H ALA A 79 -9.477 -9.633 1.317 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.081 -11.977 2.898 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.551 -13.079 0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.700 -11.752 1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.344 -11.523 -0.109 1.00 0.00 H new ATOM 1209 N TYR A 80 -6.836 -11.247 0.548 1.00 0.00 N ATOM 1210 CA TYR A 80 -5.534 -11.557 -0.012 1.00 0.00 C ATOM 1211 C TYR A 80 -4.374 -11.256 0.933 1.00 0.00 C ATOM 1212 O TYR A 80 -3.406 -12.008 1.025 1.00 0.00 O ATOM 1213 CB TYR A 80 -5.409 -10.807 -1.327 1.00 0.00 C ATOM 1214 CG TYR A 80 -4.198 -11.241 -2.112 1.00 0.00 C ATOM 1215 CD1 TYR A 80 -4.034 -12.603 -2.415 1.00 0.00 C ATOM 1216 CD2 TYR A 80 -3.138 -10.340 -2.304 1.00 0.00 C ATOM 1217 CE1 TYR A 80 -2.805 -13.068 -2.908 1.00 0.00 C ATOM 1218 CE2 TYR A 80 -1.904 -10.807 -2.788 1.00 0.00 C ATOM 1219 CZ TYR A 80 -1.739 -12.171 -3.083 1.00 0.00 C ATOM 1220 OH TYR A 80 -0.523 -12.642 -3.481 1.00 0.00 O ATOM 0 H TYR A 80 -7.350 -10.548 0.012 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.469 -12.632 -0.178 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.306 -10.971 -1.924 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.349 -9.737 -1.130 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -4.853 -13.292 -2.269 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.271 -9.292 -2.080 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.680 -14.113 -3.152 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.084 -10.119 -2.933 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.639 -13.500 -3.940 1.00 0.00 H new ATOM 1230 N VAL A 81 -4.478 -10.142 1.646 1.00 0.00 N ATOM 1231 CA VAL A 81 -3.487 -9.709 2.614 1.00 0.00 C ATOM 1232 C VAL A 81 -3.191 -10.742 3.693 1.00 0.00 C ATOM 1233 O VAL A 81 -2.088 -10.729 4.241 1.00 0.00 O ATOM 1234 CB VAL A 81 -4.054 -8.509 3.355 1.00 0.00 C ATOM 1235 CG1 VAL A 81 -4.304 -7.368 2.396 1.00 0.00 C ATOM 1236 CG2 VAL A 81 -5.391 -8.928 3.950 1.00 0.00 C ATOM 0 H VAL A 81 -5.270 -9.504 1.564 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.574 -9.510 2.053 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.351 -8.184 4.122 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.710 -6.516 2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.366 -7.081 1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.016 -7.683 1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.828 -8.088 4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.065 -9.235 3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.239 -9.761 4.636 1.00 0.00 H new ATOM 1246 N GLN A 82 -4.172 -11.581 4.037 1.00 0.00 N ATOM 1247 CA GLN A 82 -4.078 -12.374 5.241 1.00 0.00 C ATOM 1248 C GLN A 82 -4.435 -13.853 5.103 1.00 0.00 C ATOM 1249 O GLN A 82 -4.040 -14.652 5.945 1.00 0.00 O ATOM 1250 CB GLN A 82 -5.070 -11.726 6.203 1.00 0.00 C ATOM 1251 CG GLN A 82 -6.510 -11.997 5.791 1.00 0.00 C ATOM 1252 CD GLN A 82 -7.422 -11.599 6.938 1.00 0.00 C ATOM 1253 OE1 GLN A 82 -7.116 -11.841 8.103 1.00 0.00 O ATOM 1254 NE2 GLN A 82 -8.479 -10.879 6.601 1.00 0.00 N ATOM 0 H GLN A 82 -5.027 -11.720 3.498 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.037 -12.380 5.563 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.902 -12.106 7.211 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.897 -10.650 6.235 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.760 -11.431 4.894 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.643 -13.052 5.550 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.687 -10.708 5.617 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.086 -10.494 7.325 1.00 0.00 H new ATOM 1263 N GLU A 83 -5.200 -14.223 4.075 1.00 0.00 N ATOM 1264 CA GLU A 83 -5.776 -15.554 3.991 1.00 0.00 C ATOM 1265 C GLU A 83 -4.770 -16.703 3.863 1.00 0.00 C ATOM 1266 O GLU A 83 -4.892 -17.702 4.566 1.00 0.00 O ATOM 1267 CB GLU A 83 -6.880 -15.554 2.928 1.00 0.00 C ATOM 1268 CG GLU A 83 -6.438 -15.969 1.519 1.00 0.00 C ATOM 1269 CD GLU A 83 -5.674 -14.887 0.774 1.00 0.00 C ATOM 1270 OE1 GLU A 83 -4.518 -14.629 1.171 1.00 0.00 O ATOM 1271 OE2 GLU A 83 -6.256 -14.353 -0.193 1.00 0.00 O ATOM 0 H GLU A 83 -5.432 -13.614 3.290 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.224 -15.778 4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.674 -16.226 3.254 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.310 -14.554 2.875 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.812 -16.859 1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.318 -16.245 0.938 1.00 0.00 H new ATOM 1278 N GLU A 84 -3.807 -16.599 2.948 1.00 0.00 N ATOM 1279 CA GLU A 84 -2.806 -17.626 2.759 1.00 0.00 C ATOM 1280 C GLU A 84 -1.501 -17.192 3.429 1.00 0.00 C ATOM 1281 O GLU A 84 -1.501 -16.663 4.537 1.00 0.00 O ATOM 1282 CB GLU A 84 -2.645 -17.852 1.252 1.00 0.00 C ATOM 1283 CG GLU A 84 -2.384 -16.539 0.500 1.00 0.00 C ATOM 1284 CD GLU A 84 -1.981 -16.825 -0.939 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -1.182 -17.769 -1.121 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -2.474 -16.094 -1.825 1.00 0.00 O ATOM 0 H GLU A 84 -3.706 -15.799 2.323 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.102 -18.568 3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.820 -18.542 1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.545 -18.323 0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.280 -15.918 0.517 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.596 -15.976 1.000 1.00 0.00 H new ATOM 1293 N VAL A 85 -0.385 -17.369 2.729 1.00 0.00 N ATOM 1294 CA VAL A 85 0.920 -16.918 3.163 1.00 0.00 C ATOM 1295 C VAL A 85 1.639 -16.453 1.913 1.00 0.00 C ATOM 1296 O VAL A 85 1.582 -17.125 0.837 1.00 0.00 O ATOM 1297 CB VAL A 85 1.754 -18.035 3.908 1.00 0.00 C ATOM 1298 CG1 VAL A 85 1.796 -19.432 3.230 1.00 0.00 C ATOM 1299 CG2 VAL A 85 3.234 -17.655 4.152 1.00 0.00 C ATOM 1300 OXT VAL A 85 2.309 -15.375 1.942 1.00 0.00 O ATOM 0 H VAL A 85 -0.369 -17.841 1.825 1.00 0.00 H new ATOM 0 HA VAL A 85 0.807 -16.120 3.896 1.00 0.00 H new ATOM 0 HB VAL A 85 1.189 -18.101 4.838 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.397 -20.112 3.834 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.783 -19.824 3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.237 -19.342 2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.739 -18.472 4.667 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.725 -17.470 3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.282 -16.755 4.765 1.00 0.00 H new TER 1310 VAL A 85