USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=19 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= 1.2 K(o=-2.2,f=-11!) USER MOD Set 1.2: A 5 LYS NZ :NH3+ -160:sc= 0.616 (180deg=-0.882) USER MOD Set 1.3: A 71 GLN : amide:sc= -4.06! C(o=-2.2!,f=-11!) USER MOD Set 2.1: A 37 LYS NZ :NH3+ -179:sc= 0.868 (180deg=0) USER MOD Set 2.2: A 40 LYS NZ :NH3+ -132:sc= 0 (180deg=-1.17) USER MOD Set 2.3: A 56 SER OG : rot 71:sc= 1.41 USER MOD Set 3.1: A 51 MET CE :methyl -170:sc= -4.74! (180deg=-5.38!) USER MOD Set 3.2: A 52 SER OG : rot -140:sc= -2.51! USER MOD Set 4.1: A 3 GLN : amide:sc= -5.35! C(o=-6.6!,f=-10!) USER MOD Set 4.2: A 66 GLN : amide:sc= -1.3! K(o=-6.6!,f=-7.7) USER MOD Single : A 11 LYS NZ :NH3+ 167:sc= -7.06! (180deg=-7.43!) USER MOD Single : A 12 THR OG1 : rot -179:sc= -2.51 USER MOD Single : A 15 GLN : amide:sc= 0.578 K(o=0.58,f=-0.39) USER MOD Single : A 24 GLN : amide:sc= -0.333! C(o=-0.33!,f=-10!) USER MOD Single : A 27 ASN : amide:sc= -2.69! C(o=-2.7!,f=-9.8!) USER MOD Single : A 30 THR OG1 : rot -76:sc= 0.196 USER MOD Single : A 31 SER OG : rot 170:sc= 0.131 USER MOD Single : A 41 LYS NZ :NH3+ -146:sc= 0.74 (180deg=-0.26) USER MOD Single : A 43 ASN : amide:sc= -5.11! C(o=-5.1!,f=-7.9!) USER MOD Single : A 45 LYS NZ :NH3+ 172:sc= 0.711 (180deg=0.633) USER MOD Single : A 46 SER OG : rot 180:sc= -0.587 USER MOD Single : A 48 MET CE :methyl -146:sc= -0.158 (180deg=-0.811) USER MOD Single : A 57 THR OG1 : rot -111:sc= -3.26! USER MOD Single : A 59 THR OG1 : rot 65:sc= -3.01! USER MOD Single : A 62 THR OG1 : rot -59:sc= -1.93! USER MOD Single : A 76 LYS NZ :NH3+ 132:sc= -1.6 (180deg=-3.05!) USER MOD Single : A 80 TYR OH : rot -24:sc= 0.629 USER MOD Single : A 82 GLN : amide:sc= -6.85! C(o=-6.8!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 -17.206 5.832 -2.479 1.00 0.00 N ATOM 2 CA VAL A 2 -17.815 5.093 -1.376 1.00 0.00 C ATOM 3 C VAL A 2 -16.769 4.203 -0.710 1.00 0.00 C ATOM 4 O VAL A 2 -16.138 3.384 -1.374 1.00 0.00 O ATOM 5 CB VAL A 2 -19.009 4.277 -1.877 1.00 0.00 C ATOM 6 CG1 VAL A 2 -20.100 5.221 -2.375 1.00 0.00 C ATOM 7 CG2 VAL A 2 -18.602 3.340 -3.014 1.00 0.00 C ATOM 0 HA VAL A 2 -18.186 5.797 -0.631 1.00 0.00 H new ATOM 0 HB VAL A 2 -19.379 3.675 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -20.950 4.639 -2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -20.421 5.869 -1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -19.710 5.830 -3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -19.472 2.774 -3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -18.209 3.926 -3.845 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -17.835 2.651 -2.661 1.00 0.00 H new ATOM 19 N GLN A 3 -16.547 4.380 0.591 1.00 0.00 N ATOM 20 CA GLN A 3 -15.479 3.657 1.245 1.00 0.00 C ATOM 21 C GLN A 3 -15.951 2.515 2.130 1.00 0.00 C ATOM 22 O GLN A 3 -16.729 2.714 3.059 1.00 0.00 O ATOM 23 CB GLN A 3 -14.637 4.629 2.067 1.00 0.00 C ATOM 24 CG GLN A 3 -13.393 3.877 2.534 1.00 0.00 C ATOM 25 CD GLN A 3 -12.459 4.767 3.329 1.00 0.00 C ATOM 26 OE1 GLN A 3 -11.371 5.087 2.862 1.00 0.00 O ATOM 27 NE2 GLN A 3 -12.869 5.173 4.524 1.00 0.00 N ATOM 0 H GLN A 3 -17.083 5.004 1.194 1.00 0.00 H new ATOM 0 HA GLN A 3 -14.888 3.199 0.451 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -14.359 5.496 1.468 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -15.204 5.000 2.921 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.692 3.026 3.146 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.864 3.477 1.669 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -13.782 4.884 4.875 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -12.271 5.774 5.091 1.00 0.00 H new ATOM 36 N GLN A 4 -15.407 1.327 1.875 1.00 0.00 N ATOM 37 CA GLN A 4 -15.596 0.180 2.734 1.00 0.00 C ATOM 38 C GLN A 4 -14.218 -0.437 2.961 1.00 0.00 C ATOM 39 O GLN A 4 -13.320 -0.256 2.135 1.00 0.00 O ATOM 40 CB GLN A 4 -16.568 -0.829 2.109 1.00 0.00 C ATOM 41 CG GLN A 4 -17.654 -1.220 3.115 1.00 0.00 C ATOM 42 CD GLN A 4 -17.011 -1.783 4.370 1.00 0.00 C ATOM 43 OE1 GLN A 4 -16.618 -1.027 5.254 1.00 0.00 O ATOM 44 NE2 GLN A 4 -16.772 -3.086 4.411 1.00 0.00 N ATOM 0 H GLN A 4 -14.821 1.141 1.061 1.00 0.00 H new ATOM 0 HA GLN A 4 -16.041 0.479 3.683 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -17.026 -0.398 1.219 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -16.024 -1.717 1.789 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -18.262 -0.350 3.365 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.322 -1.960 2.674 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -17.111 -3.690 3.662 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -16.249 -3.484 5.191 1.00 0.00 H new ATOM 53 N LYS A 5 -14.059 -1.151 4.072 1.00 0.00 N ATOM 54 CA LYS A 5 -12.865 -1.876 4.427 1.00 0.00 C ATOM 55 C LYS A 5 -13.246 -3.115 5.227 1.00 0.00 C ATOM 56 O LYS A 5 -14.317 -3.180 5.834 1.00 0.00 O ATOM 57 CB LYS A 5 -11.920 -1.003 5.250 1.00 0.00 C ATOM 58 CG LYS A 5 -12.582 -0.388 6.484 1.00 0.00 C ATOM 59 CD LYS A 5 -13.440 0.813 6.095 1.00 0.00 C ATOM 60 CE LYS A 5 -14.346 1.205 7.259 1.00 0.00 C ATOM 61 NZ LYS A 5 -15.284 0.119 7.592 1.00 0.00 N ATOM 0 H LYS A 5 -14.796 -1.237 4.772 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.350 -2.168 3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.066 -1.602 5.566 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.533 -0.204 4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.199 -1.136 6.982 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.817 -0.079 7.197 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.802 1.653 5.821 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.043 0.572 5.219 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -13.738 1.445 8.132 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.904 2.105 7.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.087 0.506 8.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.631 -0.321 6.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.797 -0.596 8.169 1.00 0.00 H new ATOM 75 N VAL A 6 -12.357 -4.100 5.207 1.00 0.00 N ATOM 76 CA VAL A 6 -12.474 -5.336 5.956 1.00 0.00 C ATOM 77 C VAL A 6 -11.110 -5.590 6.591 1.00 0.00 C ATOM 78 O VAL A 6 -10.085 -5.271 5.993 1.00 0.00 O ATOM 79 CB VAL A 6 -12.969 -6.464 5.047 1.00 0.00 C ATOM 80 CG1 VAL A 6 -14.491 -6.372 4.966 1.00 0.00 C ATOM 81 CG2 VAL A 6 -12.425 -6.335 3.626 1.00 0.00 C ATOM 0 H VAL A 6 -11.506 -4.054 4.647 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.219 -5.278 6.750 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.628 -7.411 5.466 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -14.870 -7.166 4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -14.916 -6.480 5.964 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.776 -5.404 4.553 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.802 -7.156 3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.748 -5.386 3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.336 -6.370 3.649 1.00 0.00 H new ATOM 91 N GLU A 7 -11.069 -6.089 7.824 1.00 0.00 N ATOM 92 CA GLU A 7 -9.797 -6.202 8.516 1.00 0.00 C ATOM 93 C GLU A 7 -9.040 -7.495 8.259 1.00 0.00 C ATOM 94 O GLU A 7 -9.619 -8.521 7.899 1.00 0.00 O ATOM 95 CB GLU A 7 -10.017 -6.036 10.020 1.00 0.00 C ATOM 96 CG GLU A 7 -9.811 -4.587 10.452 1.00 0.00 C ATOM 97 CD GLU A 7 -8.331 -4.226 10.449 1.00 0.00 C ATOM 98 OE1 GLU A 7 -7.518 -5.131 10.154 1.00 0.00 O ATOM 99 OE2 GLU A 7 -8.044 -3.046 10.740 1.00 0.00 O ATOM 0 H GLU A 7 -11.881 -6.413 8.350 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.172 -5.406 8.111 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.026 -6.356 10.280 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.328 -6.682 10.564 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.353 -3.922 9.780 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.224 -4.438 11.450 1.00 0.00 H new ATOM 106 N VAL A 8 -7.724 -7.420 8.469 1.00 0.00 N ATOM 107 CA VAL A 8 -6.816 -8.529 8.250 1.00 0.00 C ATOM 108 C VAL A 8 -5.510 -8.315 9.000 1.00 0.00 C ATOM 109 O VAL A 8 -5.094 -7.177 9.197 1.00 0.00 O ATOM 110 CB VAL A 8 -6.479 -8.641 6.747 1.00 0.00 C ATOM 111 CG1 VAL A 8 -7.333 -7.730 5.873 1.00 0.00 C ATOM 112 CG2 VAL A 8 -5.015 -8.304 6.448 1.00 0.00 C ATOM 0 H VAL A 8 -7.261 -6.573 8.800 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.306 -9.435 8.608 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.687 -9.684 6.507 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.047 -7.856 4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.385 -7.990 5.995 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.179 -6.692 6.169 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.831 -8.398 5.378 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.805 -7.282 6.764 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.365 -8.992 6.990 1.00 0.00 H new ATOM 122 N ARG A 9 -4.814 -9.393 9.353 1.00 0.00 N ATOM 123 CA ARG A 9 -3.416 -9.216 9.703 1.00 0.00 C ATOM 124 C ARG A 9 -2.698 -9.312 8.367 1.00 0.00 C ATOM 125 O ARG A 9 -2.895 -10.283 7.635 1.00 0.00 O ATOM 126 CB ARG A 9 -2.917 -10.261 10.703 1.00 0.00 C ATOM 127 CG ARG A 9 -1.395 -10.404 10.689 1.00 0.00 C ATOM 128 CD ARG A 9 -0.925 -11.324 9.559 1.00 0.00 C ATOM 129 NE ARG A 9 -1.164 -12.737 9.870 1.00 0.00 N ATOM 130 CZ ARG A 9 -1.990 -13.542 9.186 1.00 0.00 C ATOM 131 NH1 ARG A 9 -2.851 -13.045 8.294 1.00 0.00 N ATOM 132 NH2 ARG A 9 -1.940 -14.864 9.381 1.00 0.00 N ATOM 0 H ARG A 9 -5.173 -10.346 9.402 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.237 -8.269 10.212 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.244 -9.985 11.706 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.371 -11.225 10.474 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.938 -9.421 10.573 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.058 -10.801 11.646 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.445 -11.062 8.637 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.139 -11.166 9.381 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.665 -13.137 10.665 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.887 -12.040 8.125 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.473 -13.671 7.782 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.275 -15.256 10.048 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.566 -15.480 8.863 1.00 0.00 H new ATOM 146 N LEU A 10 -1.895 -8.308 8.026 1.00 0.00 N ATOM 147 CA LEU A 10 -1.186 -8.275 6.764 1.00 0.00 C ATOM 148 C LEU A 10 -0.134 -9.382 6.715 1.00 0.00 C ATOM 149 O LEU A 10 1.035 -9.160 7.006 1.00 0.00 O ATOM 150 CB LEU A 10 -0.564 -6.889 6.589 1.00 0.00 C ATOM 151 CG LEU A 10 -0.436 -6.515 5.115 1.00 0.00 C ATOM 152 CD1 LEU A 10 -0.501 -7.757 4.245 1.00 0.00 C ATOM 153 CD2 LEU A 10 -1.565 -5.579 4.702 1.00 0.00 C ATOM 0 H LEU A 10 -1.722 -7.498 8.621 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.875 -8.456 5.939 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.176 -6.147 7.102 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.420 -6.869 7.057 1.00 0.00 H new ATOM 0 HG LEU A 10 0.525 -6.018 4.980 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.408 -7.472 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.313 -8.431 4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.455 -8.261 4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.458 -5.323 3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.524 -6.073 4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.522 -4.670 5.303 1.00 0.00 H new ATOM 165 N LYS A 11 -0.558 -10.573 6.320 1.00 0.00 N ATOM 166 CA LYS A 11 0.236 -11.780 6.280 1.00 0.00 C ATOM 167 C LYS A 11 1.246 -11.757 5.131 1.00 0.00 C ATOM 168 O LYS A 11 2.279 -12.418 5.225 1.00 0.00 O ATOM 169 CB LYS A 11 -0.760 -12.936 6.233 1.00 0.00 C ATOM 170 CG LYS A 11 -0.192 -14.245 5.729 1.00 0.00 C ATOM 171 CD LYS A 11 -0.003 -14.128 4.220 1.00 0.00 C ATOM 172 CE LYS A 11 -1.101 -13.299 3.564 1.00 0.00 C ATOM 173 NZ LYS A 11 -2.314 -14.085 3.378 1.00 0.00 N ATOM 0 H LYS A 11 -1.516 -10.726 6.003 1.00 0.00 H new ATOM 0 HA LYS A 11 0.869 -11.889 7.161 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.161 -13.092 7.234 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.597 -12.650 5.596 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.759 -14.460 6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.865 -15.069 5.966 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.966 -13.675 4.011 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.010 -15.125 3.779 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.320 -12.427 4.181 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.753 -12.928 2.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.104 -13.453 3.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.171 -14.767 2.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.534 -14.597 4.256 1.00 0.00 H new ATOM 187 N THR A 12 0.951 -11.069 4.024 1.00 0.00 N ATOM 188 CA THR A 12 1.986 -10.841 3.024 1.00 0.00 C ATOM 189 C THR A 12 2.963 -9.866 3.693 1.00 0.00 C ATOM 190 O THR A 12 4.144 -10.124 3.920 1.00 0.00 O ATOM 191 CB THR A 12 1.387 -10.207 1.755 1.00 0.00 C ATOM 192 OG1 THR A 12 0.589 -9.080 2.065 1.00 0.00 O ATOM 193 CG2 THR A 12 0.488 -11.186 1.005 1.00 0.00 C ATOM 0 H THR A 12 0.036 -10.674 3.806 1.00 0.00 H new ATOM 0 HA THR A 12 2.467 -11.768 2.713 1.00 0.00 H new ATOM 0 HB THR A 12 2.240 -9.920 1.139 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.212 -8.709 1.240 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.084 -10.702 0.116 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.068 -12.060 0.710 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.332 -11.496 1.653 1.00 0.00 H new ATOM 201 N GLY A 13 2.373 -8.744 4.094 1.00 0.00 N ATOM 202 CA GLY A 13 3.041 -7.596 4.661 1.00 0.00 C ATOM 203 C GLY A 13 3.790 -6.896 3.548 1.00 0.00 C ATOM 204 O GLY A 13 4.906 -6.430 3.735 1.00 0.00 O ATOM 0 H GLY A 13 1.364 -8.613 4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.317 -6.921 5.117 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.729 -7.905 5.448 1.00 0.00 H new ATOM 208 N LEU A 14 3.176 -6.904 2.365 1.00 0.00 N ATOM 209 CA LEU A 14 3.575 -6.175 1.179 1.00 0.00 C ATOM 210 C LEU A 14 5.088 -6.166 0.994 1.00 0.00 C ATOM 211 O LEU A 14 5.726 -5.121 0.896 1.00 0.00 O ATOM 212 CB LEU A 14 2.886 -4.823 1.171 1.00 0.00 C ATOM 213 CG LEU A 14 1.490 -5.061 0.574 1.00 0.00 C ATOM 214 CD1 LEU A 14 0.575 -5.817 1.537 1.00 0.00 C ATOM 215 CD2 LEU A 14 0.816 -3.752 0.183 1.00 0.00 C ATOM 0 H LEU A 14 2.334 -7.458 2.208 1.00 0.00 H new ATOM 0 HA LEU A 14 3.233 -6.686 0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.815 -4.416 2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.447 -4.103 0.576 1.00 0.00 H new ATOM 0 HG LEU A 14 1.645 -5.669 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.401 -5.963 1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.014 -6.787 1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.458 -5.241 2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.169 -3.961 -0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.709 -3.120 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.424 -3.237 -0.561 1.00 0.00 H new ATOM 227 N GLN A 15 5.626 -7.377 0.949 1.00 0.00 N ATOM 228 CA GLN A 15 7.049 -7.646 0.918 1.00 0.00 C ATOM 229 C GLN A 15 7.616 -7.854 -0.482 1.00 0.00 C ATOM 230 O GLN A 15 8.487 -7.097 -0.902 1.00 0.00 O ATOM 231 CB GLN A 15 7.326 -8.871 1.788 1.00 0.00 C ATOM 232 CG GLN A 15 6.951 -8.581 3.240 1.00 0.00 C ATOM 233 CD GLN A 15 7.989 -7.683 3.895 1.00 0.00 C ATOM 234 OE1 GLN A 15 9.183 -7.955 3.824 1.00 0.00 O ATOM 235 NE2 GLN A 15 7.558 -6.604 4.535 1.00 0.00 N ATOM 0 H GLN A 15 5.060 -8.226 0.933 1.00 0.00 H new ATOM 0 HA GLN A 15 7.554 -6.760 1.303 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.755 -9.724 1.421 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.380 -9.141 1.724 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.972 -8.103 3.279 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.871 -9.516 3.794 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.559 -6.402 4.578 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.225 -5.977 4.984 1.00 0.00 H new ATOM 244 N ALA A 16 7.178 -8.886 -1.204 1.00 0.00 N ATOM 245 CA ALA A 16 7.809 -9.194 -2.472 1.00 0.00 C ATOM 246 C ALA A 16 6.842 -9.384 -3.632 1.00 0.00 C ATOM 247 O ALA A 16 7.150 -8.965 -4.745 1.00 0.00 O ATOM 248 CB ALA A 16 8.665 -10.446 -2.301 1.00 0.00 C ATOM 0 H ALA A 16 6.411 -9.503 -0.937 1.00 0.00 H new ATOM 0 HA ALA A 16 8.413 -8.326 -2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.146 -10.690 -3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.427 -10.265 -1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.034 -11.278 -1.990 1.00 0.00 H new ATOM 254 N ARG A 17 5.693 -10.030 -3.426 1.00 0.00 N ATOM 255 CA ARG A 17 4.836 -10.270 -4.583 1.00 0.00 C ATOM 256 C ARG A 17 3.346 -10.248 -4.284 1.00 0.00 C ATOM 257 O ARG A 17 2.649 -9.406 -4.848 1.00 0.00 O ATOM 258 CB ARG A 17 5.249 -11.547 -5.313 1.00 0.00 C ATOM 259 CG ARG A 17 4.472 -11.633 -6.628 1.00 0.00 C ATOM 260 CD ARG A 17 4.648 -10.331 -7.409 1.00 0.00 C ATOM 261 NE ARG A 17 3.816 -10.316 -8.614 1.00 0.00 N ATOM 262 CZ ARG A 17 2.607 -9.740 -8.681 1.00 0.00 C ATOM 263 NH1 ARG A 17 2.027 -9.224 -7.594 1.00 0.00 N ATOM 264 NH2 ARG A 17 1.955 -9.670 -9.843 1.00 0.00 N ATOM 0 H ARG A 17 5.351 -10.376 -2.530 1.00 0.00 H new ATOM 0 HA ARG A 17 4.995 -9.419 -5.246 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.321 -11.541 -5.507 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.042 -12.420 -4.694 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.829 -12.476 -7.220 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.415 -11.810 -6.428 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.386 -9.485 -6.773 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.695 -10.209 -7.686 1.00 0.00 H new ATOM 0 HE ARG A 17 4.178 -10.771 -9.452 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.504 -9.264 -6.693 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.107 -8.790 -7.664 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.376 -10.056 -10.688 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.036 -9.230 -9.886 1.00 0.00 H new ATOM 278 N PRO A 18 2.842 -11.150 -3.431 1.00 0.00 N ATOM 279 CA PRO A 18 1.459 -11.174 -2.955 1.00 0.00 C ATOM 280 C PRO A 18 1.059 -9.801 -2.430 1.00 0.00 C ATOM 281 O PRO A 18 -0.095 -9.397 -2.490 1.00 0.00 O ATOM 282 CB PRO A 18 1.468 -12.157 -1.789 1.00 0.00 C ATOM 283 CG PRO A 18 2.893 -11.955 -1.278 1.00 0.00 C ATOM 284 CD PRO A 18 3.655 -11.985 -2.586 1.00 0.00 C ATOM 0 HA PRO A 18 0.763 -11.450 -3.747 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.718 -11.916 -1.036 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.282 -13.183 -2.108 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.014 -11.010 -0.748 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.206 -12.746 -0.596 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.666 -11.592 -2.477 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.747 -12.997 -2.981 1.00 0.00 H new ATOM 292 N ALA A 19 2.058 -9.092 -1.924 1.00 0.00 N ATOM 293 CA ALA A 19 2.051 -7.728 -1.492 1.00 0.00 C ATOM 294 C ALA A 19 1.527 -6.806 -2.602 1.00 0.00 C ATOM 295 O ALA A 19 0.575 -6.048 -2.413 1.00 0.00 O ATOM 296 CB ALA A 19 3.536 -7.529 -1.271 1.00 0.00 C ATOM 0 H ALA A 19 2.979 -9.513 -1.799 1.00 0.00 H new ATOM 0 HA ALA A 19 1.420 -7.511 -0.630 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.720 -6.511 -0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.890 -8.234 -0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.069 -7.699 -2.207 1.00 0.00 H new ATOM 302 N ALA A 20 2.159 -6.872 -3.774 1.00 0.00 N ATOM 303 CA ALA A 20 1.725 -6.135 -4.951 1.00 0.00 C ATOM 304 C ALA A 20 0.454 -6.772 -5.488 1.00 0.00 C ATOM 305 O ALA A 20 -0.342 -6.090 -6.114 1.00 0.00 O ATOM 306 CB ALA A 20 2.826 -6.181 -6.007 1.00 0.00 C ATOM 0 H ALA A 20 2.990 -7.442 -3.930 1.00 0.00 H new ATOM 0 HA ALA A 20 1.525 -5.095 -4.694 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.505 -5.630 -6.891 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.733 -5.729 -5.607 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.027 -7.217 -6.278 1.00 0.00 H new ATOM 312 N LEU A 21 0.248 -8.073 -5.268 1.00 0.00 N ATOM 313 CA LEU A 21 -1.004 -8.733 -5.614 1.00 0.00 C ATOM 314 C LEU A 21 -2.126 -7.938 -4.947 1.00 0.00 C ATOM 315 O LEU A 21 -3.064 -7.496 -5.605 1.00 0.00 O ATOM 316 CB LEU A 21 -0.969 -10.174 -5.114 1.00 0.00 C ATOM 317 CG LEU A 21 -1.984 -11.053 -5.838 1.00 0.00 C ATOM 318 CD1 LEU A 21 -1.841 -12.479 -5.319 1.00 0.00 C ATOM 319 CD2 LEU A 21 -3.413 -10.576 -5.588 1.00 0.00 C ATOM 0 H LEU A 21 0.942 -8.691 -4.848 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.163 -8.764 -6.692 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.031 -10.583 -5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.172 -10.192 -4.043 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.791 -11.002 -6.909 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.559 -13.124 -5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.830 -12.838 -5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.031 -12.496 -4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.111 -11.224 -6.118 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.626 -10.610 -4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.523 -9.553 -5.948 1.00 0.00 H new ATOM 331 N PHE A 22 -1.959 -7.708 -3.644 1.00 0.00 N ATOM 332 CA PHE A 22 -2.792 -6.858 -2.815 1.00 0.00 C ATOM 333 C PHE A 22 -3.036 -5.534 -3.537 1.00 0.00 C ATOM 334 O PHE A 22 -4.160 -5.230 -3.941 1.00 0.00 O ATOM 335 CB PHE A 22 -2.022 -6.647 -1.502 1.00 0.00 C ATOM 336 CG PHE A 22 -2.487 -5.545 -0.575 1.00 0.00 C ATOM 337 CD1 PHE A 22 -2.201 -4.201 -0.874 1.00 0.00 C ATOM 338 CD2 PHE A 22 -2.995 -5.876 0.689 1.00 0.00 C ATOM 339 CE1 PHE A 22 -2.469 -3.190 0.061 1.00 0.00 C ATOM 340 CE2 PHE A 22 -3.244 -4.869 1.638 1.00 0.00 C ATOM 341 CZ PHE A 22 -3.000 -3.521 1.319 1.00 0.00 C ATOM 0 H PHE A 22 -1.197 -8.136 -3.118 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.766 -7.303 -2.613 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.047 -7.584 -0.946 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.979 -6.454 -1.754 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.772 -3.945 -1.831 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.196 -6.908 0.935 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.267 -2.158 -0.186 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.624 -5.131 2.614 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.220 -2.745 2.037 1.00 0.00 H new ATOM 351 N VAL A 23 -1.968 -4.754 -3.729 1.00 0.00 N ATOM 352 CA VAL A 23 -2.099 -3.437 -4.309 1.00 0.00 C ATOM 353 C VAL A 23 -2.728 -3.457 -5.696 1.00 0.00 C ATOM 354 O VAL A 23 -3.353 -2.471 -6.047 1.00 0.00 O ATOM 355 CB VAL A 23 -0.743 -2.751 -4.408 1.00 0.00 C ATOM 356 CG1 VAL A 23 0.034 -2.651 -3.099 1.00 0.00 C ATOM 357 CG2 VAL A 23 -0.014 -3.349 -5.594 1.00 0.00 C ATOM 0 H VAL A 23 -1.013 -5.020 -3.489 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.760 -2.885 -3.641 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.880 -1.687 -4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.984 -2.147 -3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.548 -2.083 -2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.222 -3.652 -2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.964 -2.879 -5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.112 -4.421 -5.441 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.594 -3.178 -6.501 1.00 0.00 H new ATOM 367 N GLN A 24 -2.464 -4.481 -6.514 1.00 0.00 N ATOM 368 CA GLN A 24 -2.944 -4.614 -7.881 1.00 0.00 C ATOM 369 C GLN A 24 -4.416 -4.984 -7.944 1.00 0.00 C ATOM 370 O GLN A 24 -5.131 -4.475 -8.791 1.00 0.00 O ATOM 371 CB GLN A 24 -2.085 -5.589 -8.688 1.00 0.00 C ATOM 372 CG GLN A 24 -2.164 -6.993 -8.099 1.00 0.00 C ATOM 373 CD GLN A 24 -1.529 -8.036 -8.997 1.00 0.00 C ATOM 374 OE1 GLN A 24 -0.372 -8.407 -8.817 1.00 0.00 O ATOM 375 NE2 GLN A 24 -2.295 -8.543 -9.956 1.00 0.00 N ATOM 0 H GLN A 24 -1.885 -5.269 -6.223 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.848 -3.631 -8.342 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.421 -5.605 -9.725 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.049 -5.250 -8.694 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.669 -7.004 -7.128 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.208 -7.253 -7.927 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.252 -8.209 -10.075 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.927 -9.266 -10.574 1.00 0.00 H new ATOM 384 N GLU A 25 -4.876 -5.892 -7.088 1.00 0.00 N ATOM 385 CA GLU A 25 -6.277 -6.270 -7.045 1.00 0.00 C ATOM 386 C GLU A 25 -7.057 -5.084 -6.495 1.00 0.00 C ATOM 387 O GLU A 25 -8.111 -4.735 -7.021 1.00 0.00 O ATOM 388 CB GLU A 25 -6.474 -7.555 -6.240 1.00 0.00 C ATOM 389 CG GLU A 25 -5.784 -7.473 -4.878 1.00 0.00 C ATOM 390 CD GLU A 25 -6.052 -8.695 -4.014 1.00 0.00 C ATOM 391 OE1 GLU A 25 -7.136 -9.293 -4.190 1.00 0.00 O ATOM 392 OE2 GLU A 25 -5.171 -8.987 -3.176 1.00 0.00 O ATOM 0 H GLU A 25 -4.290 -6.381 -6.411 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.653 -6.501 -8.042 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.539 -7.738 -6.099 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.077 -8.401 -6.800 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.709 -7.365 -5.025 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.126 -6.580 -4.355 1.00 0.00 H new ATOM 399 N ALA A 26 -6.506 -4.438 -5.463 1.00 0.00 N ATOM 400 CA ALA A 26 -7.032 -3.188 -4.961 1.00 0.00 C ATOM 401 C ALA A 26 -7.062 -2.200 -6.127 1.00 0.00 C ATOM 402 O ALA A 26 -8.097 -1.633 -6.470 1.00 0.00 O ATOM 403 CB ALA A 26 -6.065 -2.674 -3.904 1.00 0.00 C ATOM 0 H ALA A 26 -5.685 -4.775 -4.960 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.029 -3.310 -4.538 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.433 -1.729 -3.503 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.985 -3.404 -3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.084 -2.520 -4.353 1.00 0.00 H new ATOM 409 N ASN A 27 -5.890 -2.053 -6.749 1.00 0.00 N ATOM 410 CA ASN A 27 -5.585 -1.204 -7.883 1.00 0.00 C ATOM 411 C ASN A 27 -6.569 -1.350 -9.017 1.00 0.00 C ATOM 412 O ASN A 27 -6.920 -0.370 -9.668 1.00 0.00 O ATOM 413 CB ASN A 27 -4.272 -1.697 -8.484 1.00 0.00 C ATOM 414 CG ASN A 27 -3.252 -0.585 -8.652 1.00 0.00 C ATOM 415 OD1 ASN A 27 -3.195 0.075 -9.686 1.00 0.00 O ATOM 416 ND2 ASN A 27 -2.421 -0.396 -7.636 1.00 0.00 N ATOM 0 H ASN A 27 -5.068 -2.571 -6.440 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.583 -0.179 -7.513 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.854 -2.475 -7.845 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.470 -2.153 -9.454 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.698 0.321 -7.695 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.505 -0.968 -6.795 1.00 0.00 H new ATOM 423 N ARG A 28 -6.935 -2.595 -9.314 1.00 0.00 N ATOM 424 CA ARG A 28 -7.810 -2.854 -10.443 1.00 0.00 C ATOM 425 C ARG A 28 -9.205 -2.336 -10.206 1.00 0.00 C ATOM 426 O ARG A 28 -9.963 -2.144 -11.155 1.00 0.00 O ATOM 427 CB ARG A 28 -7.787 -4.312 -10.841 1.00 0.00 C ATOM 428 CG ARG A 28 -6.365 -4.537 -11.343 1.00 0.00 C ATOM 429 CD ARG A 28 -6.000 -3.565 -12.465 1.00 0.00 C ATOM 430 NE ARG A 28 -4.564 -3.281 -12.438 1.00 0.00 N ATOM 431 CZ ARG A 28 -4.042 -2.157 -11.929 1.00 0.00 C ATOM 432 NH1 ARG A 28 -4.826 -1.148 -11.538 1.00 0.00 N ATOM 433 NH2 ARG A 28 -2.719 -2.034 -11.791 1.00 0.00 N ATOM 0 H ARG A 28 -6.643 -3.424 -8.796 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.420 -2.294 -11.293 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.019 -4.960 -9.996 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.522 -4.525 -11.617 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.664 -4.418 -10.516 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.264 -5.561 -11.702 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.276 -3.991 -13.430 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.564 -2.639 -12.352 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.927 -3.976 -12.827 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.839 -1.226 -11.625 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.411 -0.300 -11.153 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.104 -2.797 -12.073 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.324 -1.177 -11.403 1.00 0.00 H new ATOM 447 N PHE A 29 -9.553 -2.097 -8.951 1.00 0.00 N ATOM 448 CA PHE A 29 -10.818 -1.474 -8.739 1.00 0.00 C ATOM 449 C PHE A 29 -10.626 0.029 -8.756 1.00 0.00 C ATOM 450 O PHE A 29 -9.552 0.565 -8.511 1.00 0.00 O ATOM 451 CB PHE A 29 -11.475 -2.061 -7.505 1.00 0.00 C ATOM 452 CG PHE A 29 -11.851 -3.501 -7.776 1.00 0.00 C ATOM 453 CD1 PHE A 29 -12.407 -3.856 -9.019 1.00 0.00 C ATOM 454 CD2 PHE A 29 -11.453 -4.507 -6.886 1.00 0.00 C ATOM 455 CE1 PHE A 29 -12.685 -5.200 -9.314 1.00 0.00 C ATOM 456 CE2 PHE A 29 -11.744 -5.849 -7.171 1.00 0.00 C ATOM 457 CZ PHE A 29 -12.359 -6.199 -8.385 1.00 0.00 C ATOM 0 H PHE A 29 -9.005 -2.315 -8.119 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.529 -1.679 -9.540 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -10.795 -2.004 -6.655 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.362 -1.485 -7.242 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.621 -3.090 -9.750 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -10.923 -4.249 -5.981 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.148 -5.464 -10.253 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.494 -6.617 -6.454 1.00 0.00 H new ATOM 0 HZ PHE A 29 -12.580 -7.234 -8.602 1.00 0.00 H new ATOM 467 N THR A 30 -11.719 0.705 -9.043 1.00 0.00 N ATOM 468 CA THR A 30 -11.748 2.149 -9.242 1.00 0.00 C ATOM 469 C THR A 30 -11.635 2.874 -7.905 1.00 0.00 C ATOM 470 O THR A 30 -11.233 4.033 -7.836 1.00 0.00 O ATOM 471 CB THR A 30 -13.069 2.520 -9.916 1.00 0.00 C ATOM 472 OG1 THR A 30 -14.154 2.006 -9.168 1.00 0.00 O ATOM 473 CG2 THR A 30 -13.118 1.932 -11.323 1.00 0.00 C ATOM 0 H THR A 30 -12.632 0.263 -9.148 1.00 0.00 H new ATOM 0 HA THR A 30 -10.906 2.447 -9.867 1.00 0.00 H new ATOM 0 HB THR A 30 -13.140 3.606 -9.968 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.229 1.041 -9.321 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.062 2.201 -11.797 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.291 2.328 -11.912 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.036 0.847 -11.267 1.00 0.00 H new ATOM 481 N SER A 31 -12.005 2.164 -6.847 1.00 0.00 N ATOM 482 CA SER A 31 -11.967 2.560 -5.475 1.00 0.00 C ATOM 483 C SER A 31 -10.643 3.162 -5.036 1.00 0.00 C ATOM 484 O SER A 31 -9.571 2.652 -5.359 1.00 0.00 O ATOM 485 CB SER A 31 -12.255 1.279 -4.700 1.00 0.00 C ATOM 486 OG SER A 31 -13.282 0.532 -5.343 1.00 0.00 O ATOM 0 H SER A 31 -12.368 1.217 -6.954 1.00 0.00 H new ATOM 0 HA SER A 31 -12.690 3.355 -5.295 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.349 0.678 -4.629 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.557 1.522 -3.681 1.00 0.00 H new ATOM 0 HG SER A 31 -13.346 -0.356 -4.933 1.00 0.00 H new ATOM 492 N ASP A 32 -10.739 4.230 -4.242 1.00 0.00 N ATOM 493 CA ASP A 32 -9.587 4.805 -3.580 1.00 0.00 C ATOM 494 C ASP A 32 -9.248 3.787 -2.503 1.00 0.00 C ATOM 495 O ASP A 32 -9.798 3.817 -1.404 1.00 0.00 O ATOM 496 CB ASP A 32 -9.943 6.162 -2.974 1.00 0.00 C ATOM 497 CG ASP A 32 -10.356 7.178 -4.025 1.00 0.00 C ATOM 498 OD1 ASP A 32 -9.443 7.806 -4.598 1.00 0.00 O ATOM 499 OD2 ASP A 32 -11.584 7.306 -4.231 1.00 0.00 O ATOM 0 H ASP A 32 -11.616 4.712 -4.046 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.750 4.991 -4.253 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.755 6.035 -2.258 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.086 6.545 -2.420 1.00 0.00 H new ATOM 504 N VAL A 33 -8.456 2.794 -2.889 1.00 0.00 N ATOM 505 CA VAL A 33 -8.135 1.679 -2.039 1.00 0.00 C ATOM 506 C VAL A 33 -7.189 2.124 -0.950 1.00 0.00 C ATOM 507 O VAL A 33 -6.212 2.830 -1.194 1.00 0.00 O ATOM 508 CB VAL A 33 -7.610 0.540 -2.896 1.00 0.00 C ATOM 509 CG1 VAL A 33 -7.282 -0.653 -2.009 1.00 0.00 C ATOM 510 CG2 VAL A 33 -8.749 0.203 -3.852 1.00 0.00 C ATOM 0 H VAL A 33 -8.020 2.750 -3.810 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.020 1.301 -1.527 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.700 0.804 -3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.905 -1.471 -2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.523 -0.367 -1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.182 -0.977 -1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.445 -0.614 -4.506 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.627 -0.097 -3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.990 1.079 -4.454 1.00 0.00 H new ATOM 520 N PHE A 34 -7.488 1.693 0.263 1.00 0.00 N ATOM 521 CA PHE A 34 -6.732 2.094 1.419 1.00 0.00 C ATOM 522 C PHE A 34 -6.411 0.906 2.302 1.00 0.00 C ATOM 523 O PHE A 34 -7.074 -0.119 2.249 1.00 0.00 O ATOM 524 CB PHE A 34 -7.495 3.178 2.188 1.00 0.00 C ATOM 525 CG PHE A 34 -7.652 4.478 1.427 1.00 0.00 C ATOM 526 CD1 PHE A 34 -6.572 4.977 0.680 1.00 0.00 C ATOM 527 CD2 PHE A 34 -8.887 5.148 1.394 1.00 0.00 C ATOM 528 CE1 PHE A 34 -6.732 6.107 -0.140 1.00 0.00 C ATOM 529 CE2 PHE A 34 -9.046 6.285 0.582 1.00 0.00 C ATOM 530 CZ PHE A 34 -7.971 6.765 -0.184 1.00 0.00 C ATOM 0 H PHE A 34 -8.260 1.058 0.466 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.780 2.511 1.089 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.484 2.798 2.446 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.976 3.378 3.125 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.611 4.488 0.736 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.713 4.790 1.991 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.905 6.468 -0.734 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.999 6.792 0.547 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.098 7.639 -0.806 1.00 0.00 H new ATOM 540 N LEU A 35 -5.351 1.025 3.084 1.00 0.00 N ATOM 541 CA LEU A 35 -5.011 0.021 4.067 1.00 0.00 C ATOM 542 C LEU A 35 -4.794 0.777 5.362 1.00 0.00 C ATOM 543 O LEU A 35 -4.087 1.781 5.355 1.00 0.00 O ATOM 544 CB LEU A 35 -3.763 -0.749 3.660 1.00 0.00 C ATOM 545 CG LEU A 35 -3.550 -1.828 4.717 1.00 0.00 C ATOM 546 CD1 LEU A 35 -4.760 -2.757 4.718 1.00 0.00 C ATOM 547 CD2 LEU A 35 -2.292 -2.626 4.408 1.00 0.00 C ATOM 0 H LEU A 35 -4.708 1.816 3.053 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.800 -0.724 4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.887 -1.194 2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.900 -0.086 3.605 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.434 -1.362 5.696 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.621 -3.534 5.470 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.658 -2.184 4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.866 -3.217 3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.151 -3.393 5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.392 -3.099 3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.430 -1.959 4.401 1.00 0.00 H new ATOM 559 N GLU A 36 -5.425 0.335 6.444 1.00 0.00 N ATOM 560 CA GLU A 36 -5.392 1.054 7.703 1.00 0.00 C ATOM 561 C GLU A 36 -4.711 0.210 8.777 1.00 0.00 C ATOM 562 O GLU A 36 -5.388 -0.590 9.420 1.00 0.00 O ATOM 563 CB GLU A 36 -6.833 1.348 8.121 1.00 0.00 C ATOM 564 CG GLU A 36 -7.690 1.712 6.912 1.00 0.00 C ATOM 565 CD GLU A 36 -9.113 2.025 7.349 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.305 3.137 7.883 1.00 0.00 O ATOM 567 OE2 GLU A 36 -9.984 1.154 7.129 1.00 0.00 O ATOM 0 H GLU A 36 -5.970 -0.527 6.469 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.830 1.981 7.585 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.255 0.477 8.621 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.847 2.167 8.841 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.262 2.574 6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.694 0.887 6.199 1.00 0.00 H new ATOM 574 N LYS A 37 -3.409 0.384 9.016 1.00 0.00 N ATOM 575 CA LYS A 37 -2.704 -0.377 10.042 1.00 0.00 C ATOM 576 C LYS A 37 -3.289 -0.022 11.397 1.00 0.00 C ATOM 577 O LYS A 37 -2.979 1.037 11.938 1.00 0.00 O ATOM 578 CB LYS A 37 -1.215 -0.055 10.025 1.00 0.00 C ATOM 579 CG LYS A 37 -0.462 -0.907 9.017 1.00 0.00 C ATOM 580 CD LYS A 37 1.034 -0.635 9.155 1.00 0.00 C ATOM 581 CE LYS A 37 1.485 -1.008 10.567 1.00 0.00 C ATOM 582 NZ LYS A 37 2.844 -0.510 10.836 1.00 0.00 N ATOM 0 H LYS A 37 -2.823 1.048 8.510 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.824 -1.442 9.846 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.074 0.999 9.786 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.798 -0.215 11.019 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.670 -1.963 9.187 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.795 -0.676 8.005 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.590 -1.214 8.418 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.244 0.416 8.959 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.790 -0.591 11.296 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.461 -2.091 10.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.133 -0.791 11.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.505 -0.914 10.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.855 0.527 10.761 1.00 0.00 H new ATOM 596 N ASP A 38 -4.172 -0.872 11.919 1.00 0.00 N ATOM 597 CA ASP A 38 -4.913 -0.587 13.135 1.00 0.00 C ATOM 598 C ASP A 38 -5.651 0.744 12.983 1.00 0.00 C ATOM 599 O ASP A 38 -5.845 1.460 13.962 1.00 0.00 O ATOM 600 CB ASP A 38 -3.960 -0.537 14.326 1.00 0.00 C ATOM 601 CG ASP A 38 -3.339 -1.896 14.607 1.00 0.00 C ATOM 602 OD1 ASP A 38 -4.008 -2.692 15.301 1.00 0.00 O ATOM 603 OD2 ASP A 38 -2.210 -2.116 14.120 1.00 0.00 O ATOM 0 H ASP A 38 -4.390 -1.778 11.505 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.643 -1.378 13.310 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.172 0.190 14.131 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.499 -0.194 15.209 1.00 0.00 H new ATOM 608 N GLY A 39 -6.040 1.101 11.753 1.00 0.00 N ATOM 609 CA GLY A 39 -6.686 2.379 11.527 1.00 0.00 C ATOM 610 C GLY A 39 -5.791 3.352 10.755 1.00 0.00 C ATOM 611 O GLY A 39 -6.288 4.307 10.162 1.00 0.00 O ATOM 0 H GLY A 39 -5.917 0.527 10.919 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.612 2.223 10.974 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.958 2.821 12.485 1.00 0.00 H new ATOM 615 N LYS A 40 -4.474 3.123 10.722 1.00 0.00 N ATOM 616 CA LYS A 40 -3.549 3.999 10.025 1.00 0.00 C ATOM 617 C LYS A 40 -3.649 3.728 8.532 1.00 0.00 C ATOM 618 O LYS A 40 -2.884 2.943 7.975 1.00 0.00 O ATOM 619 CB LYS A 40 -2.146 3.753 10.555 1.00 0.00 C ATOM 620 CG LYS A 40 -2.122 4.045 12.054 1.00 0.00 C ATOM 621 CD LYS A 40 -0.745 3.695 12.603 1.00 0.00 C ATOM 622 CE LYS A 40 -0.424 2.290 12.104 1.00 0.00 C ATOM 623 NZ LYS A 40 0.796 1.759 12.732 1.00 0.00 N ATOM 0 H LYS A 40 -4.029 2.327 11.178 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.794 5.047 10.195 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.848 2.721 10.368 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.430 4.390 10.036 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.345 5.096 12.237 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.890 3.463 12.564 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.003 4.409 12.259 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.741 3.730 13.692 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.262 1.627 12.318 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.299 2.307 11.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.418 1.360 12.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.293 2.526 13.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.541 1.015 13.412 1.00 0.00 H new ATOM 637 N LYS A 41 -4.655 4.340 7.924 1.00 0.00 N ATOM 638 CA LYS A 41 -4.990 4.156 6.532 1.00 0.00 C ATOM 639 C LYS A 41 -4.132 4.969 5.565 1.00 0.00 C ATOM 640 O LYS A 41 -3.760 6.112 5.822 1.00 0.00 O ATOM 641 CB LYS A 41 -6.490 4.395 6.374 1.00 0.00 C ATOM 642 CG LYS A 41 -6.884 5.063 5.062 1.00 0.00 C ATOM 643 CD LYS A 41 -6.665 6.570 5.202 1.00 0.00 C ATOM 644 CE LYS A 41 -6.843 7.256 3.852 1.00 0.00 C ATOM 645 NZ LYS A 41 -5.716 6.947 2.960 1.00 0.00 N ATOM 0 H LYS A 41 -5.273 4.994 8.404 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.754 3.131 6.246 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.008 3.439 6.452 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.837 5.014 7.202 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.286 4.668 4.241 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.927 4.852 4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.371 6.982 5.923 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.665 6.765 5.588 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.776 6.930 3.393 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.917 8.334 3.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.517 7.769 2.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.874 6.725 3.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.958 6.129 2.365 1.00 0.00 H new ATOM 659 N VAL A 42 -3.889 4.350 4.413 1.00 0.00 N ATOM 660 CA VAL A 42 -3.106 4.861 3.294 1.00 0.00 C ATOM 661 C VAL A 42 -3.639 4.297 1.987 1.00 0.00 C ATOM 662 O VAL A 42 -4.494 3.419 2.012 1.00 0.00 O ATOM 663 CB VAL A 42 -1.662 4.399 3.430 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.003 5.144 4.577 1.00 0.00 C ATOM 665 CG2 VAL A 42 -1.644 2.891 3.672 1.00 0.00 C ATOM 0 H VAL A 42 -4.258 3.418 4.225 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.171 5.949 3.297 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.106 4.613 2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.032 4.816 4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.026 6.215 4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.541 4.937 5.502 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.613 2.551 3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.191 2.663 4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.115 2.382 2.831 1.00 0.00 H new ATOM 675 N ASN A 43 -3.138 4.769 0.842 1.00 0.00 N ATOM 676 CA ASN A 43 -3.552 4.259 -0.453 1.00 0.00 C ATOM 677 C ASN A 43 -2.978 2.870 -0.645 1.00 0.00 C ATOM 678 O ASN A 43 -1.852 2.703 -1.105 1.00 0.00 O ATOM 679 CB ASN A 43 -3.127 5.210 -1.565 1.00 0.00 C ATOM 680 CG ASN A 43 -3.553 4.714 -2.941 1.00 0.00 C ATOM 681 OD1 ASN A 43 -2.789 4.801 -3.894 1.00 0.00 O ATOM 682 ND2 ASN A 43 -4.763 4.184 -3.082 1.00 0.00 N ATOM 0 H ASN A 43 -2.439 5.510 0.794 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.639 4.191 -0.494 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.561 6.194 -1.385 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.044 5.330 -1.543 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.067 3.843 -3.994 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.388 4.119 -2.278 1.00 0.00 H new ATOM 689 N ALA A 44 -3.822 1.898 -0.321 1.00 0.00 N ATOM 690 CA ALA A 44 -3.567 0.475 -0.306 1.00 0.00 C ATOM 691 C ALA A 44 -2.888 -0.013 -1.573 1.00 0.00 C ATOM 692 O ALA A 44 -1.967 -0.824 -1.523 1.00 0.00 O ATOM 693 CB ALA A 44 -4.922 -0.218 -0.222 1.00 0.00 C ATOM 0 H ALA A 44 -4.779 2.109 -0.040 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.909 0.254 0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.778 -1.298 -0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.433 0.092 0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.525 0.056 -1.087 1.00 0.00 H new ATOM 699 N LYS A 45 -3.376 0.477 -2.708 1.00 0.00 N ATOM 700 CA LYS A 45 -2.882 0.064 -4.007 1.00 0.00 C ATOM 701 C LYS A 45 -1.529 0.694 -4.336 1.00 0.00 C ATOM 702 O LYS A 45 -0.803 0.176 -5.182 1.00 0.00 O ATOM 703 CB LYS A 45 -3.926 0.405 -5.069 1.00 0.00 C ATOM 704 CG LYS A 45 -4.293 1.885 -5.019 1.00 0.00 C ATOM 705 CD LYS A 45 -5.165 2.219 -6.227 1.00 0.00 C ATOM 706 CE LYS A 45 -6.457 1.405 -6.187 1.00 0.00 C ATOM 707 NZ LYS A 45 -7.270 1.664 -7.383 1.00 0.00 N ATOM 0 H LYS A 45 -4.123 1.170 -2.748 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.719 -1.014 -3.990 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.540 0.156 -6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.819 -0.200 -4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.826 2.110 -4.095 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.391 2.497 -5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.398 3.284 -6.233 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.621 2.006 -7.147 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.222 0.343 -6.124 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.026 1.659 -5.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.075 1.005 -7.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.624 2.642 -7.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.688 1.529 -8.234 1.00 0.00 H new ATOM 721 N SER A 46 -1.208 1.834 -3.726 1.00 0.00 N ATOM 722 CA SER A 46 0.046 2.500 -3.998 1.00 0.00 C ATOM 723 C SER A 46 1.070 2.277 -2.889 1.00 0.00 C ATOM 724 O SER A 46 0.848 1.538 -1.934 1.00 0.00 O ATOM 725 CB SER A 46 -0.216 3.989 -4.217 1.00 0.00 C ATOM 726 OG SER A 46 0.904 4.610 -4.823 1.00 0.00 O ATOM 0 H SER A 46 -1.802 2.307 -3.045 1.00 0.00 H new ATOM 0 HA SER A 46 0.477 2.069 -4.902 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.096 4.120 -4.847 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.433 4.470 -3.263 1.00 0.00 H new ATOM 0 HG SER A 46 0.717 5.563 -4.957 1.00 0.00 H new ATOM 732 N ILE A 47 2.185 2.988 -3.029 1.00 0.00 N ATOM 733 CA ILE A 47 3.323 3.049 -2.125 1.00 0.00 C ATOM 734 C ILE A 47 2.904 3.169 -0.670 1.00 0.00 C ATOM 735 O ILE A 47 3.399 2.458 0.193 1.00 0.00 O ATOM 736 CB ILE A 47 4.199 4.257 -2.492 1.00 0.00 C ATOM 737 CG1 ILE A 47 5.173 4.618 -1.361 1.00 0.00 C ATOM 738 CG2 ILE A 47 3.375 5.495 -2.857 1.00 0.00 C ATOM 739 CD1 ILE A 47 4.519 5.581 -0.358 1.00 0.00 C ATOM 0 H ILE A 47 2.324 3.584 -3.845 1.00 0.00 H new ATOM 0 HA ILE A 47 3.876 2.116 -2.236 1.00 0.00 H new ATOM 0 HB ILE A 47 4.765 3.950 -3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.490 3.711 -0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.069 5.077 -1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.045 6.317 -3.107 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.741 5.270 -3.714 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.752 5.780 -2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.230 5.821 0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.225 6.496 -0.871 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.638 5.110 0.077 1.00 0.00 H new ATOM 751 N MET A 48 2.032 4.116 -0.363 1.00 0.00 N ATOM 752 CA MET A 48 1.746 4.338 1.037 1.00 0.00 C ATOM 753 C MET A 48 1.007 3.152 1.657 1.00 0.00 C ATOM 754 O MET A 48 1.187 2.847 2.836 1.00 0.00 O ATOM 755 CB MET A 48 1.051 5.684 1.184 1.00 0.00 C ATOM 756 CG MET A 48 1.018 6.108 2.647 1.00 0.00 C ATOM 757 SD MET A 48 0.193 7.690 2.931 1.00 0.00 S ATOM 758 CE MET A 48 1.220 8.742 1.887 1.00 0.00 C ATOM 0 H MET A 48 1.536 4.712 -1.026 1.00 0.00 H new ATOM 0 HA MET A 48 2.668 4.394 1.616 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.573 6.436 0.592 1.00 0.00 H new ATOM 0 HB3 MET A 48 0.035 5.620 0.794 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.513 5.336 3.228 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.040 6.170 3.021 1.00 0.00 H new ATOM 0 HE1 MET A 48 1.303 9.731 2.337 1.00 0.00 H new ATOM 0 HE2 MET A 48 2.213 8.302 1.792 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.766 8.830 0.900 1.00 0.00 H new ATOM 768 N GLY A 49 0.200 2.451 0.864 1.00 0.00 N ATOM 769 CA GLY A 49 -0.419 1.238 1.340 1.00 0.00 C ATOM 770 C GLY A 49 0.647 0.153 1.370 1.00 0.00 C ATOM 771 O GLY A 49 0.958 -0.348 2.440 1.00 0.00 O ATOM 0 H GLY A 49 -0.032 2.705 -0.096 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.839 1.388 2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.242 0.947 0.687 1.00 0.00 H new ATOM 775 N LEU A 50 1.229 -0.177 0.217 1.00 0.00 N ATOM 776 CA LEU A 50 2.260 -1.188 0.068 1.00 0.00 C ATOM 777 C LEU A 50 3.454 -0.981 0.982 1.00 0.00 C ATOM 778 O LEU A 50 3.678 -1.728 1.928 1.00 0.00 O ATOM 779 CB LEU A 50 2.809 -1.114 -1.356 1.00 0.00 C ATOM 780 CG LEU A 50 2.723 -2.456 -2.075 1.00 0.00 C ATOM 781 CD1 LEU A 50 3.290 -2.323 -3.484 1.00 0.00 C ATOM 782 CD2 LEU A 50 3.517 -3.505 -1.311 1.00 0.00 C ATOM 0 H LEU A 50 0.983 0.271 -0.666 1.00 0.00 H new ATOM 0 HA LEU A 50 1.789 -2.140 0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.253 -0.365 -1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.848 -0.785 -1.327 1.00 0.00 H new ATOM 0 HG LEU A 50 1.678 -2.761 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.227 -3.284 -3.994 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.717 -1.580 -4.038 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.333 -2.010 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.451 -4.461 -1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.561 -3.197 -1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.109 -3.609 -0.306 1.00 0.00 H new ATOM 794 N MET A 51 4.240 0.028 0.624 1.00 0.00 N ATOM 795 CA MET A 51 5.510 0.357 1.216 1.00 0.00 C ATOM 796 C MET A 51 5.346 0.855 2.642 1.00 0.00 C ATOM 797 O MET A 51 6.169 0.553 3.500 1.00 0.00 O ATOM 798 CB MET A 51 6.160 1.463 0.384 1.00 0.00 C ATOM 799 CG MET A 51 7.557 1.770 0.917 1.00 0.00 C ATOM 800 SD MET A 51 8.131 3.430 0.516 1.00 0.00 S ATOM 801 CE MET A 51 6.906 4.360 1.458 1.00 0.00 C ATOM 0 H MET A 51 3.985 0.667 -0.129 1.00 0.00 H new ATOM 0 HA MET A 51 6.127 -0.541 1.234 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.220 1.155 -0.660 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.545 2.362 0.416 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.560 1.645 2.000 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.260 1.043 0.511 1.00 0.00 H new ATOM 0 HE1 MET A 51 6.976 5.417 1.202 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.908 3.994 1.218 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.093 4.232 2.524 1.00 0.00 H new ATOM 811 N SER A 52 4.342 1.696 2.874 1.00 0.00 N ATOM 812 CA SER A 52 4.169 2.265 4.196 1.00 0.00 C ATOM 813 C SER A 52 3.454 1.322 5.163 1.00 0.00 C ATOM 814 O SER A 52 4.050 0.839 6.121 1.00 0.00 O ATOM 815 CB SER A 52 3.462 3.619 4.104 1.00 0.00 C ATOM 816 OG SER A 52 4.044 4.413 3.086 1.00 0.00 O ATOM 0 H SER A 52 3.655 1.990 2.180 1.00 0.00 H new ATOM 0 HA SER A 52 5.164 2.418 4.613 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.403 3.470 3.896 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.529 4.137 5.061 1.00 0.00 H new ATOM 0 HG SER A 52 4.101 5.343 3.389 1.00 0.00 H new ATOM 822 N LEU A 53 2.159 1.100 4.950 1.00 0.00 N ATOM 823 CA LEU A 53 1.351 0.353 5.901 1.00 0.00 C ATOM 824 C LEU A 53 1.466 -1.160 5.790 1.00 0.00 C ATOM 825 O LEU A 53 2.043 -1.817 6.657 1.00 0.00 O ATOM 826 CB LEU A 53 -0.103 0.758 5.756 1.00 0.00 C ATOM 827 CG LEU A 53 -0.334 2.060 6.517 1.00 0.00 C ATOM 828 CD1 LEU A 53 0.138 1.960 7.963 1.00 0.00 C ATOM 829 CD2 LEU A 53 0.449 3.178 5.846 1.00 0.00 C ATOM 0 H LEU A 53 1.651 1.427 4.128 1.00 0.00 H new ATOM 0 HA LEU A 53 1.743 0.609 6.885 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.355 0.887 4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.753 -0.026 6.145 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.405 2.262 6.508 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.044 2.907 8.471 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.409 1.165 8.470 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.205 1.736 7.983 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.287 4.111 6.386 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.511 2.934 5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.111 3.292 4.816 1.00 0.00 H new ATOM 841 N ALA A 54 0.836 -1.689 4.741 1.00 0.00 N ATOM 842 CA ALA A 54 0.700 -3.091 4.387 1.00 0.00 C ATOM 843 C ALA A 54 1.999 -3.856 4.540 1.00 0.00 C ATOM 844 O ALA A 54 1.983 -5.013 4.944 1.00 0.00 O ATOM 845 CB ALA A 54 0.204 -3.173 2.947 1.00 0.00 C ATOM 0 H ALA A 54 0.369 -1.089 4.061 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.013 -3.554 5.070 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.094 -4.219 2.659 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.760 -2.671 2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.923 -2.688 2.286 1.00 0.00 H new ATOM 851 N VAL A 55 3.124 -3.211 4.243 1.00 0.00 N ATOM 852 CA VAL A 55 4.431 -3.835 4.364 1.00 0.00 C ATOM 853 C VAL A 55 4.733 -4.331 5.782 1.00 0.00 C ATOM 854 O VAL A 55 5.640 -5.132 5.999 1.00 0.00 O ATOM 855 CB VAL A 55 5.509 -2.875 3.864 1.00 0.00 C ATOM 856 CG1 VAL A 55 5.809 -1.826 4.934 1.00 0.00 C ATOM 857 CG2 VAL A 55 6.779 -3.651 3.528 1.00 0.00 C ATOM 0 H VAL A 55 3.152 -2.246 3.914 1.00 0.00 H new ATOM 0 HA VAL A 55 4.427 -4.727 3.738 1.00 0.00 H new ATOM 0 HB VAL A 55 5.149 -2.373 2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.579 -1.145 4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.902 -1.263 5.156 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.160 -2.320 5.840 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.544 -2.961 3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.139 -4.163 4.420 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.562 -4.384 2.751 1.00 0.00 H new ATOM 867 N SER A 56 3.973 -3.879 6.773 1.00 0.00 N ATOM 868 CA SER A 56 4.173 -4.334 8.125 1.00 0.00 C ATOM 869 C SER A 56 3.502 -5.693 8.323 1.00 0.00 C ATOM 870 O SER A 56 2.512 -5.774 9.053 1.00 0.00 O ATOM 871 CB SER A 56 3.621 -3.285 9.091 1.00 0.00 C ATOM 872 OG SER A 56 3.985 -1.981 8.670 1.00 0.00 O ATOM 0 H SER A 56 3.219 -3.202 6.657 1.00 0.00 H new ATOM 0 HA SER A 56 5.237 -4.462 8.326 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.535 -3.367 9.144 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.004 -3.469 10.095 1.00 0.00 H new ATOM 0 HG SER A 56 3.484 -1.747 7.861 1.00 0.00 H new ATOM 878 N THR A 57 4.016 -6.739 7.660 1.00 0.00 N ATOM 879 CA THR A 57 3.544 -8.112 7.797 1.00 0.00 C ATOM 880 C THR A 57 3.188 -8.438 9.249 1.00 0.00 C ATOM 881 O THR A 57 4.056 -8.466 10.118 1.00 0.00 O ATOM 882 CB THR A 57 4.624 -9.083 7.314 1.00 0.00 C ATOM 883 OG1 THR A 57 5.200 -8.655 6.094 1.00 0.00 O ATOM 884 CG2 THR A 57 3.993 -10.459 7.129 1.00 0.00 C ATOM 0 H THR A 57 4.788 -6.645 7.001 1.00 0.00 H new ATOM 0 HA THR A 57 2.646 -8.218 7.189 1.00 0.00 H new ATOM 0 HB THR A 57 5.419 -9.122 8.059 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.935 -9.266 5.375 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.750 -11.163 6.785 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.584 -10.802 8.079 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.193 -10.396 6.391 1.00 0.00 H new ATOM 892 N GLY A 58 1.903 -8.671 9.512 1.00 0.00 N ATOM 893 CA GLY A 58 1.422 -8.977 10.846 1.00 0.00 C ATOM 894 C GLY A 58 0.540 -7.868 11.417 1.00 0.00 C ATOM 895 O GLY A 58 -0.150 -8.093 12.407 1.00 0.00 O ATOM 0 H GLY A 58 1.171 -8.651 8.802 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.858 -9.909 10.821 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.273 -9.138 11.508 1.00 0.00 H new ATOM 899 N THR A 59 0.508 -6.686 10.801 1.00 0.00 N ATOM 900 CA THR A 59 -0.318 -5.612 11.326 1.00 0.00 C ATOM 901 C THR A 59 -1.762 -5.865 10.926 1.00 0.00 C ATOM 902 O THR A 59 -2.034 -6.113 9.752 1.00 0.00 O ATOM 903 CB THR A 59 0.120 -4.248 10.784 1.00 0.00 C ATOM 904 OG1 THR A 59 1.511 -4.068 10.925 1.00 0.00 O ATOM 905 CG2 THR A 59 -0.586 -3.137 11.558 1.00 0.00 C ATOM 0 H THR A 59 1.033 -6.456 9.958 1.00 0.00 H new ATOM 0 HA THR A 59 -0.212 -5.595 12.411 1.00 0.00 H new ATOM 0 HB THR A 59 -0.142 -4.209 9.727 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.984 -4.723 10.370 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.273 -2.168 11.170 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.665 -3.242 11.443 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.325 -3.207 12.614 1.00 0.00 H new ATOM 913 N GLU A 60 -2.692 -5.807 11.877 1.00 0.00 N ATOM 914 CA GLU A 60 -4.090 -5.924 11.509 1.00 0.00 C ATOM 915 C GLU A 60 -4.484 -4.586 10.897 1.00 0.00 C ATOM 916 O GLU A 60 -4.648 -3.584 11.590 1.00 0.00 O ATOM 917 CB GLU A 60 -4.944 -6.347 12.698 1.00 0.00 C ATOM 918 CG GLU A 60 -4.357 -7.627 13.292 1.00 0.00 C ATOM 919 CD GLU A 60 -5.258 -8.200 14.372 1.00 0.00 C ATOM 920 OE1 GLU A 60 -6.255 -8.847 13.985 1.00 0.00 O ATOM 921 OE2 GLU A 60 -4.930 -7.982 15.558 1.00 0.00 O ATOM 0 H GLU A 60 -2.508 -5.684 12.873 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.258 -6.714 10.777 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.965 -5.557 13.449 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.974 -6.514 12.383 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.217 -8.366 12.503 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.373 -7.418 13.710 1.00 0.00 H new ATOM 928 N VAL A 61 -4.537 -4.558 9.572 1.00 0.00 N ATOM 929 CA VAL A 61 -4.770 -3.354 8.817 1.00 0.00 C ATOM 930 C VAL A 61 -6.030 -3.496 7.976 1.00 0.00 C ATOM 931 O VAL A 61 -6.265 -4.517 7.329 1.00 0.00 O ATOM 932 CB VAL A 61 -3.520 -3.050 7.992 1.00 0.00 C ATOM 933 CG1 VAL A 61 -2.293 -3.082 8.890 1.00 0.00 C ATOM 934 CG2 VAL A 61 -3.272 -4.154 6.981 1.00 0.00 C ATOM 0 H VAL A 61 -4.416 -5.388 8.992 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.946 -2.505 9.478 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.676 -2.081 7.518 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.404 -2.865 8.299 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.398 -2.334 9.676 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.197 -4.070 9.340 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.378 -3.923 6.401 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.131 -5.100 7.503 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.128 -4.233 6.311 1.00 0.00 H new ATOM 944 N THR A 62 -6.859 -2.460 8.001 1.00 0.00 N ATOM 945 CA THR A 62 -8.135 -2.458 7.328 1.00 0.00 C ATOM 946 C THR A 62 -7.975 -2.284 5.826 1.00 0.00 C ATOM 947 O THR A 62 -7.421 -1.284 5.370 1.00 0.00 O ATOM 948 CB THR A 62 -9.000 -1.340 7.910 1.00 0.00 C ATOM 949 OG1 THR A 62 -8.498 -0.885 9.155 1.00 0.00 O ATOM 950 CG2 THR A 62 -10.436 -1.828 8.084 1.00 0.00 C ATOM 0 H THR A 62 -6.655 -1.592 8.497 1.00 0.00 H new ATOM 0 HA THR A 62 -8.619 -3.422 7.488 1.00 0.00 H new ATOM 0 HB THR A 62 -8.976 -0.505 7.210 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.465 -1.633 9.788 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.045 -1.025 8.499 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.839 -2.126 7.116 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.451 -2.682 8.761 1.00 0.00 H new ATOM 958 N LEU A 63 -8.453 -3.260 5.062 1.00 0.00 N ATOM 959 CA LEU A 63 -8.430 -3.221 3.619 1.00 0.00 C ATOM 960 C LEU A 63 -9.683 -2.532 3.098 1.00 0.00 C ATOM 961 O LEU A 63 -10.771 -3.104 3.118 1.00 0.00 O ATOM 962 CB LEU A 63 -8.367 -4.647 3.082 1.00 0.00 C ATOM 963 CG LEU A 63 -6.929 -5.073 2.802 1.00 0.00 C ATOM 964 CD1 LEU A 63 -6.252 -3.993 1.963 1.00 0.00 C ATOM 965 CD2 LEU A 63 -6.182 -5.285 4.114 1.00 0.00 C ATOM 0 H LEU A 63 -8.872 -4.109 5.441 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.556 -2.663 3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.816 -5.329 3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.954 -4.719 2.167 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.919 -6.015 2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.223 -4.285 1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.791 -3.871 1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.258 -3.050 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.157 -5.589 3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.176 -4.356 4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.679 -6.062 4.694 1.00 0.00 H new ATOM 977 N ILE A 64 -9.510 -1.296 2.642 1.00 0.00 N ATOM 978 CA ILE A 64 -10.522 -0.422 2.084 1.00 0.00 C ATOM 979 C ILE A 64 -10.395 -0.338 0.569 1.00 0.00 C ATOM 980 O ILE A 64 -9.300 -0.421 0.019 1.00 0.00 O ATOM 981 CB ILE A 64 -10.272 1.001 2.600 1.00 0.00 C ATOM 982 CG1 ILE A 64 -10.463 1.127 4.101 1.00 0.00 C ATOM 983 CG2 ILE A 64 -11.204 2.007 1.930 1.00 0.00 C ATOM 984 CD1 ILE A 64 -10.084 2.548 4.511 1.00 0.00 C ATOM 0 H ILE A 64 -8.592 -0.852 2.656 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.499 -0.814 2.367 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.232 1.215 2.353 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -11.498 0.916 4.372 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.842 0.401 4.626 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.001 3.005 2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.038 1.995 0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.240 1.740 2.140 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -10.213 2.663 5.587 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.043 2.737 4.248 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -10.725 3.260 3.991 1.00 0.00 H new ATOM 996 N ALA A 65 -11.511 -0.088 -0.102 1.00 0.00 N ATOM 997 CA ALA A 65 -11.504 0.277 -1.506 1.00 0.00 C ATOM 998 C ALA A 65 -12.619 1.281 -1.686 1.00 0.00 C ATOM 999 O ALA A 65 -13.727 0.919 -2.060 1.00 0.00 O ATOM 1000 CB ALA A 65 -11.695 -0.929 -2.423 1.00 0.00 C ATOM 0 H ALA A 65 -12.442 -0.133 0.313 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.537 0.697 -1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.682 -0.601 -3.463 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.888 -1.643 -2.258 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.651 -1.405 -2.204 1.00 0.00 H new ATOM 1006 N GLN A 66 -12.347 2.560 -1.469 1.00 0.00 N ATOM 1007 CA GLN A 66 -13.437 3.502 -1.539 1.00 0.00 C ATOM 1008 C GLN A 66 -13.693 3.980 -2.960 1.00 0.00 C ATOM 1009 O GLN A 66 -13.319 5.090 -3.344 1.00 0.00 O ATOM 1010 CB GLN A 66 -13.213 4.615 -0.520 1.00 0.00 C ATOM 1011 CG GLN A 66 -12.062 5.533 -0.907 1.00 0.00 C ATOM 1012 CD GLN A 66 -12.252 6.918 -0.317 1.00 0.00 C ATOM 1013 OE1 GLN A 66 -12.689 7.828 -1.017 1.00 0.00 O ATOM 1014 NE2 GLN A 66 -11.927 7.102 0.958 1.00 0.00 N ATOM 0 H GLN A 66 -11.429 2.948 -1.254 1.00 0.00 H new ATOM 0 HA GLN A 66 -14.368 3.007 -1.263 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -14.126 5.203 -0.422 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -13.011 4.175 0.456 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -11.121 5.110 -0.556 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -11.996 5.602 -1.993 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.567 6.324 1.510 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.038 8.022 1.385 1.00 0.00 H new ATOM 1023 N GLY A 67 -14.292 3.118 -3.772 1.00 0.00 N ATOM 1024 CA GLY A 67 -14.616 3.442 -5.148 1.00 0.00 C ATOM 1025 C GLY A 67 -15.783 2.627 -5.671 1.00 0.00 C ATOM 1026 O GLY A 67 -16.539 2.032 -4.904 1.00 0.00 O ATOM 0 H GLY A 67 -14.565 2.176 -3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.854 4.503 -5.223 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.742 3.266 -5.776 1.00 0.00 H new ATOM 1030 N GLU A 68 -15.897 2.555 -6.996 1.00 0.00 N ATOM 1031 CA GLU A 68 -17.032 1.920 -7.639 1.00 0.00 C ATOM 1032 C GLU A 68 -17.035 0.408 -7.459 1.00 0.00 C ATOM 1033 O GLU A 68 -18.069 -0.226 -7.642 1.00 0.00 O ATOM 1034 CB GLU A 68 -17.083 2.308 -9.118 1.00 0.00 C ATOM 1035 CG GLU A 68 -16.699 3.776 -9.343 1.00 0.00 C ATOM 1036 CD GLU A 68 -17.479 4.735 -8.452 1.00 0.00 C ATOM 1037 OE1 GLU A 68 -18.723 4.735 -8.562 1.00 0.00 O ATOM 1038 OE2 GLU A 68 -16.807 5.444 -7.670 1.00 0.00 O ATOM 0 H GLU A 68 -15.207 2.934 -7.645 1.00 0.00 H new ATOM 0 HA GLU A 68 -17.935 2.285 -7.149 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -16.408 1.666 -9.684 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -18.087 2.133 -9.504 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -15.632 3.900 -9.156 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -16.872 4.036 -10.387 1.00 0.00 H new ATOM 1045 N ASP A 69 -15.897 -0.193 -7.104 1.00 0.00 N ATOM 1046 CA ASP A 69 -15.864 -1.611 -6.842 1.00 0.00 C ATOM 1047 C ASP A 69 -15.634 -1.770 -5.358 1.00 0.00 C ATOM 1048 O ASP A 69 -15.196 -2.839 -4.972 1.00 0.00 O ATOM 1049 CB ASP A 69 -14.737 -2.276 -7.621 1.00 0.00 C ATOM 1050 CG ASP A 69 -14.689 -1.825 -9.075 1.00 0.00 C ATOM 1051 OD1 ASP A 69 -14.047 -0.777 -9.320 1.00 0.00 O ATOM 1052 OD2 ASP A 69 -15.277 -2.538 -9.914 1.00 0.00 O ATOM 0 H ASP A 69 -15.002 0.284 -6.996 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.796 -2.084 -7.152 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.785 -2.049 -7.142 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.863 -3.358 -7.583 1.00 0.00 H new ATOM 1057 N GLU A 70 -15.985 -0.764 -4.542 1.00 0.00 N ATOM 1058 CA GLU A 70 -15.655 -0.621 -3.147 1.00 0.00 C ATOM 1059 C GLU A 70 -15.567 -1.949 -2.425 1.00 0.00 C ATOM 1060 O GLU A 70 -14.470 -2.504 -2.340 1.00 0.00 O ATOM 1061 CB GLU A 70 -16.753 0.261 -2.558 1.00 0.00 C ATOM 1062 CG GLU A 70 -16.565 0.553 -1.075 1.00 0.00 C ATOM 1063 CD GLU A 70 -17.925 0.615 -0.407 1.00 0.00 C ATOM 1064 OE1 GLU A 70 -18.598 -0.439 -0.441 1.00 0.00 O ATOM 1065 OE2 GLU A 70 -18.270 1.696 0.114 1.00 0.00 O ATOM 0 H GLU A 70 -16.546 0.018 -4.880 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.666 -0.178 -3.030 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.784 1.203 -3.105 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -17.717 -0.225 -2.705 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.954 -0.223 -0.613 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -16.037 1.497 -0.941 1.00 0.00 H new ATOM 1072 N GLN A 71 -16.695 -2.452 -1.921 1.00 0.00 N ATOM 1073 CA GLN A 71 -16.730 -3.684 -1.161 1.00 0.00 C ATOM 1074 C GLN A 71 -15.979 -4.813 -1.863 1.00 0.00 C ATOM 1075 O GLN A 71 -15.279 -5.558 -1.188 1.00 0.00 O ATOM 1076 CB GLN A 71 -18.182 -4.043 -0.844 1.00 0.00 C ATOM 1077 CG GLN A 71 -18.292 -5.282 0.047 1.00 0.00 C ATOM 1078 CD GLN A 71 -17.503 -5.152 1.344 1.00 0.00 C ATOM 1079 OE1 GLN A 71 -17.977 -4.596 2.330 1.00 0.00 O ATOM 1080 NE2 GLN A 71 -16.282 -5.669 1.358 1.00 0.00 N ATOM 0 H GLN A 71 -17.607 -2.009 -2.033 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.204 -3.534 -0.218 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -18.663 -3.199 -0.350 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -18.722 -4.218 -1.774 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -19.341 -5.462 0.282 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -17.935 -6.152 -0.504 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -15.912 -6.126 0.524 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.713 -5.610 2.202 1.00 0.00 H new ATOM 1089 N GLU A 72 -16.084 -4.924 -3.189 1.00 0.00 N ATOM 1090 CA GLU A 72 -15.408 -5.943 -3.971 1.00 0.00 C ATOM 1091 C GLU A 72 -13.903 -5.844 -3.750 1.00 0.00 C ATOM 1092 O GLU A 72 -13.232 -6.791 -3.341 1.00 0.00 O ATOM 1093 CB GLU A 72 -15.748 -5.639 -5.433 1.00 0.00 C ATOM 1094 CG GLU A 72 -14.768 -6.240 -6.440 1.00 0.00 C ATOM 1095 CD GLU A 72 -14.955 -7.741 -6.602 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -16.106 -8.195 -6.432 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -13.938 -8.400 -6.907 1.00 0.00 O ATOM 0 H GLU A 72 -16.653 -4.293 -3.753 1.00 0.00 H new ATOM 0 HA GLU A 72 -15.720 -6.949 -3.689 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.749 -6.014 -5.648 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -15.777 -4.558 -5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.899 -5.753 -7.406 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.747 -6.036 -6.117 1.00 0.00 H new ATOM 1104 N ALA A 73 -13.388 -4.655 -4.035 1.00 0.00 N ATOM 1105 CA ALA A 73 -11.999 -4.313 -3.992 1.00 0.00 C ATOM 1106 C ALA A 73 -11.438 -4.525 -2.594 1.00 0.00 C ATOM 1107 O ALA A 73 -10.427 -5.204 -2.409 1.00 0.00 O ATOM 1108 CB ALA A 73 -11.983 -2.862 -4.457 1.00 0.00 C ATOM 0 H ALA A 73 -13.974 -3.869 -4.317 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.361 -4.932 -4.622 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.957 -2.493 -4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.397 -2.798 -5.463 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.583 -2.256 -3.778 1.00 0.00 H new ATOM 1114 N LEU A 74 -12.126 -3.972 -1.602 1.00 0.00 N ATOM 1115 CA LEU A 74 -11.685 -4.074 -0.230 1.00 0.00 C ATOM 1116 C LEU A 74 -11.763 -5.507 0.299 1.00 0.00 C ATOM 1117 O LEU A 74 -10.832 -5.947 0.972 1.00 0.00 O ATOM 1118 CB LEU A 74 -12.439 -3.046 0.605 1.00 0.00 C ATOM 1119 CG LEU A 74 -13.942 -3.281 0.626 1.00 0.00 C ATOM 1120 CD1 LEU A 74 -14.368 -3.640 2.037 1.00 0.00 C ATOM 1121 CD2 LEU A 74 -14.612 -1.960 0.266 1.00 0.00 C ATOM 0 H LEU A 74 -12.992 -3.449 -1.730 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.624 -3.835 -0.160 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.060 -3.068 1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.239 -2.049 0.212 1.00 0.00 H new ATOM 0 HG LEU A 74 -14.214 -4.078 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -15.444 -3.810 2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -13.851 -4.546 2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -14.115 -2.823 2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -15.694 -2.088 0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -14.333 -1.200 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.288 -1.646 -0.726 1.00 0.00 H new ATOM 1133 N GLU A 75 -12.825 -6.259 -0.020 1.00 0.00 N ATOM 1134 CA GLU A 75 -12.935 -7.630 0.454 1.00 0.00 C ATOM 1135 C GLU A 75 -11.871 -8.527 -0.168 1.00 0.00 C ATOM 1136 O GLU A 75 -11.247 -9.288 0.569 1.00 0.00 O ATOM 1137 CB GLU A 75 -14.354 -8.193 0.305 1.00 0.00 C ATOM 1138 CG GLU A 75 -14.898 -8.172 -1.125 1.00 0.00 C ATOM 1139 CD GLU A 75 -14.518 -9.399 -1.947 1.00 0.00 C ATOM 1140 OE1 GLU A 75 -14.083 -10.391 -1.323 1.00 0.00 O ATOM 1141 OE2 GLU A 75 -14.690 -9.326 -3.182 1.00 0.00 O ATOM 0 H GLU A 75 -13.605 -5.941 -0.595 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.740 -7.613 1.526 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.364 -9.220 0.669 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -15.027 -7.622 0.945 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.985 -8.093 -1.089 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -14.530 -7.279 -1.631 1.00 0.00 H new ATOM 1148 N LYS A 76 -11.629 -8.435 -1.485 1.00 0.00 N ATOM 1149 CA LYS A 76 -10.590 -9.264 -2.090 1.00 0.00 C ATOM 1150 C LYS A 76 -9.264 -9.024 -1.376 1.00 0.00 C ATOM 1151 O LYS A 76 -8.543 -9.964 -1.054 1.00 0.00 O ATOM 1152 CB LYS A 76 -10.431 -9.014 -3.592 1.00 0.00 C ATOM 1153 CG LYS A 76 -10.628 -7.551 -3.984 1.00 0.00 C ATOM 1154 CD LYS A 76 -9.811 -7.167 -5.222 1.00 0.00 C ATOM 1155 CE LYS A 76 -9.839 -8.184 -6.369 1.00 0.00 C ATOM 1156 NZ LYS A 76 -11.139 -8.868 -6.523 1.00 0.00 N ATOM 0 H LYS A 76 -12.123 -7.816 -2.128 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.897 -10.304 -1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.437 -9.336 -3.904 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.150 -9.628 -4.134 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.685 -7.368 -4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.341 -6.911 -3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.178 -6.212 -5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.775 -7.014 -4.920 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.594 -7.675 -7.301 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.063 -8.931 -6.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.425 -8.849 -7.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.052 -9.855 -6.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.857 -8.383 -5.948 1.00 0.00 H new ATOM 1170 N LEU A 77 -8.979 -7.755 -1.092 1.00 0.00 N ATOM 1171 CA LEU A 77 -7.773 -7.355 -0.404 1.00 0.00 C ATOM 1172 C LEU A 77 -7.734 -7.920 1.002 1.00 0.00 C ATOM 1173 O LEU A 77 -6.839 -8.703 1.290 1.00 0.00 O ATOM 1174 CB LEU A 77 -7.737 -5.836 -0.385 1.00 0.00 C ATOM 1175 CG LEU A 77 -7.122 -5.325 -1.685 1.00 0.00 C ATOM 1176 CD1 LEU A 77 -5.622 -5.390 -1.504 1.00 0.00 C ATOM 1177 CD2 LEU A 77 -7.431 -6.242 -2.864 1.00 0.00 C ATOM 0 H LEU A 77 -9.589 -6.976 -1.339 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.897 -7.746 -0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.745 -5.439 -0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.155 -5.486 0.467 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.515 -4.329 -1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.130 -5.034 -2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.330 -4.763 -0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.323 -6.420 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.974 -5.839 -3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.030 -7.236 -2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.510 -6.307 -3.001 1.00 0.00 H new ATOM 1189 N ALA A 78 -8.679 -7.554 1.874 1.00 0.00 N ATOM 1190 CA ALA A 78 -8.660 -8.036 3.250 1.00 0.00 C ATOM 1191 C ALA A 78 -8.701 -9.556 3.326 1.00 0.00 C ATOM 1192 O ALA A 78 -8.231 -10.142 4.297 1.00 0.00 O ATOM 1193 CB ALA A 78 -9.769 -7.415 4.085 1.00 0.00 C ATOM 0 H ALA A 78 -9.456 -6.933 1.651 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.709 -7.715 3.676 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.718 -7.802 5.103 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.649 -6.332 4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.736 -7.666 3.650 1.00 0.00 H new ATOM 1199 N ALA A 79 -9.255 -10.222 2.320 1.00 0.00 N ATOM 1200 CA ALA A 79 -9.156 -11.659 2.289 1.00 0.00 C ATOM 1201 C ALA A 79 -7.714 -12.041 1.978 1.00 0.00 C ATOM 1202 O ALA A 79 -7.042 -12.714 2.764 1.00 0.00 O ATOM 1203 CB ALA A 79 -10.056 -12.195 1.186 1.00 0.00 C ATOM 0 H ALA A 79 -9.760 -9.799 1.542 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.459 -12.076 3.249 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.987 -13.282 1.156 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.087 -11.902 1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.740 -11.785 0.227 1.00 0.00 H new ATOM 1209 N TYR A 80 -7.227 -11.561 0.832 1.00 0.00 N ATOM 1210 CA TYR A 80 -5.956 -11.992 0.295 1.00 0.00 C ATOM 1211 C TYR A 80 -4.791 -11.725 1.242 1.00 0.00 C ATOM 1212 O TYR A 80 -4.009 -12.625 1.541 1.00 0.00 O ATOM 1213 CB TYR A 80 -5.766 -11.353 -1.074 1.00 0.00 C ATOM 1214 CG TYR A 80 -4.588 -11.975 -1.768 1.00 0.00 C ATOM 1215 CD1 TYR A 80 -4.552 -13.377 -1.851 1.00 0.00 C ATOM 1216 CD2 TYR A 80 -3.394 -11.238 -1.819 1.00 0.00 C ATOM 1217 CE1 TYR A 80 -3.325 -14.051 -1.874 1.00 0.00 C ATOM 1218 CE2 TYR A 80 -2.158 -11.914 -1.876 1.00 0.00 C ATOM 1219 CZ TYR A 80 -2.128 -13.321 -1.868 1.00 0.00 C ATOM 1220 OH TYR A 80 -0.946 -13.986 -1.756 1.00 0.00 O ATOM 0 H TYR A 80 -7.708 -10.866 0.260 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.968 -13.076 0.182 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.665 -11.486 -1.675 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.611 -10.280 -0.966 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.474 -13.937 -1.897 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.422 -10.158 -1.815 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -3.301 -15.130 -1.896 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.236 -11.353 -1.926 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.097 -14.850 -1.319 1.00 0.00 H new ATOM 1230 N VAL A 81 -4.714 -10.487 1.725 1.00 0.00 N ATOM 1231 CA VAL A 81 -3.732 -9.974 2.668 1.00 0.00 C ATOM 1232 C VAL A 81 -3.374 -10.924 3.798 1.00 0.00 C ATOM 1233 O VAL A 81 -2.239 -10.910 4.266 1.00 0.00 O ATOM 1234 CB VAL A 81 -4.356 -8.782 3.384 1.00 0.00 C ATOM 1235 CG1 VAL A 81 -4.586 -7.613 2.454 1.00 0.00 C ATOM 1236 CG2 VAL A 81 -5.708 -9.224 3.931 1.00 0.00 C ATOM 0 H VAL A 81 -5.383 -9.769 1.447 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.841 -9.768 2.074 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.674 -8.459 4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.032 -6.788 3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.634 -7.292 2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.258 -7.914 1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.181 -8.390 4.450 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.345 -9.547 3.108 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.566 -10.051 4.626 1.00 0.00 H new ATOM 1246 N GLN A 82 -4.356 -11.678 4.290 1.00 0.00 N ATOM 1247 CA GLN A 82 -4.180 -12.420 5.513 1.00 0.00 C ATOM 1248 C GLN A 82 -4.474 -13.914 5.400 1.00 0.00 C ATOM 1249 O GLN A 82 -4.036 -14.679 6.255 1.00 0.00 O ATOM 1250 CB GLN A 82 -5.118 -11.756 6.509 1.00 0.00 C ATOM 1251 CG GLN A 82 -6.573 -12.042 6.184 1.00 0.00 C ATOM 1252 CD GLN A 82 -7.413 -11.461 7.305 1.00 0.00 C ATOM 1253 OE1 GLN A 82 -7.009 -11.445 8.466 1.00 0.00 O ATOM 1254 NE2 GLN A 82 -8.528 -10.877 6.917 1.00 0.00 N ATOM 0 H GLN A 82 -5.273 -11.784 3.855 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.133 -12.390 5.814 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -4.893 -12.112 7.514 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.949 -10.679 6.506 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.847 -11.595 5.228 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.742 -13.115 6.095 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.814 -10.923 5.939 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.105 -10.379 7.594 1.00 0.00 H new ATOM 1263 N GLU A 83 -5.142 -14.344 4.327 1.00 0.00 N ATOM 1264 CA GLU A 83 -5.611 -15.709 4.143 1.00 0.00 C ATOM 1265 C GLU A 83 -4.564 -16.798 3.826 1.00 0.00 C ATOM 1266 O GLU A 83 -4.889 -17.752 3.122 1.00 0.00 O ATOM 1267 CB GLU A 83 -6.703 -15.635 3.080 1.00 0.00 C ATOM 1268 CG GLU A 83 -6.100 -15.328 1.705 1.00 0.00 C ATOM 1269 CD GLU A 83 -7.176 -15.087 0.655 1.00 0.00 C ATOM 1270 OE1 GLU A 83 -8.366 -15.054 1.037 1.00 0.00 O ATOM 1271 OE2 GLU A 83 -6.782 -14.918 -0.519 1.00 0.00 O ATOM 0 H GLU A 83 -5.375 -13.732 3.545 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.967 -16.060 5.112 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.245 -16.580 3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.425 -14.863 3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.460 -14.449 1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.467 -16.158 1.392 1.00 0.00 H new ATOM 1278 N GLU A 84 -3.328 -16.695 4.326 1.00 0.00 N ATOM 1279 CA GLU A 84 -2.292 -17.708 4.196 1.00 0.00 C ATOM 1280 C GLU A 84 -1.073 -17.208 4.976 1.00 0.00 C ATOM 1281 O GLU A 84 -1.225 -16.753 6.107 1.00 0.00 O ATOM 1282 CB GLU A 84 -2.042 -18.052 2.717 1.00 0.00 C ATOM 1283 CG GLU A 84 -1.532 -16.899 1.846 1.00 0.00 C ATOM 1284 CD GLU A 84 -1.444 -17.305 0.375 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -1.154 -18.497 0.136 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -1.652 -16.417 -0.483 1.00 0.00 O ATOM 0 H GLU A 84 -3.018 -15.875 4.848 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.587 -18.664 4.629 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.320 -18.867 2.669 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.972 -18.425 2.287 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.198 -16.042 1.949 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.549 -16.583 2.197 1.00 0.00 H new ATOM 1293 N VAL A 85 0.114 -17.247 4.375 1.00 0.00 N ATOM 1294 CA VAL A 85 1.356 -16.687 4.898 1.00 0.00 C ATOM 1295 C VAL A 85 2.074 -16.178 3.657 1.00 0.00 C ATOM 1296 O VAL A 85 2.002 -16.868 2.594 1.00 0.00 O ATOM 1297 CB VAL A 85 2.236 -17.760 5.655 1.00 0.00 C ATOM 1298 CG1 VAL A 85 3.420 -17.211 6.499 1.00 0.00 C ATOM 1299 CG2 VAL A 85 1.430 -18.662 6.622 1.00 0.00 C ATOM 1300 OXT VAL A 85 2.729 -15.090 3.684 1.00 0.00 O ATOM 0 H VAL A 85 0.241 -17.692 3.466 1.00 0.00 H new ATOM 0 HA VAL A 85 1.167 -15.911 5.639 1.00 0.00 H new ATOM 0 HB VAL A 85 2.626 -18.316 4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.947 -18.041 6.969 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.106 -16.665 5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.038 -16.541 7.269 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.103 -19.372 7.103 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.951 -18.044 7.381 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.669 -19.206 6.063 1.00 0.00 H new TER 1310 VAL A 85