USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=17 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= 1.05! C(o=-5.2!,f=-15!) USER MOD Set 1.2: A 5 LYS NZ :NH3+ 161:sc= 0.752 (180deg=-0.732) USER MOD Set 1.3: A 71 GLN : amide:sc= -6.97! C(o=-5.2!,f=-16!) USER MOD Set 2.1: A 3 GLN : amide:sc= -3.03! C(o=-4.8!,f=-11!) USER MOD Set 2.2: A 66 GLN : amide:sc= -1.77! C(o=-4.8!,f=-12!) USER MOD Set 3.1: A 37 LYS NZ :NH3+ -173:sc= 0.736 (180deg=-0.0873) USER MOD Set 3.2: A 56 SER OG : rot 74:sc= 1.46 USER MOD Set 4.1: A 51 MET CE :methyl -155:sc= -3.72! (180deg=-4.89!) USER MOD Set 4.2: A 52 SER OG : rot -125:sc= -3.47! USER MOD Single : A 11 LYS NZ :NH3+ -150:sc= -3.52! (180deg=-4.74!) USER MOD Single : A 12 THR OG1 : rot -170:sc= -0.214 USER MOD Single : A 15 GLN : amide:sc= 0.383! C(o=0.38!,f=-15!) USER MOD Single : A 24 GLN : amide:sc= -1.38 K(o=-1.4,f=-6.3!) USER MOD Single : A 27 ASN : amide:sc= -6.32! C(o=-6.3!,f=-6.6!) USER MOD Single : A 30 THR OG1 : rot -50:sc= 0.207 USER MOD Single : A 31 SER OG : rot 80:sc= -0.129 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -5.54! C(o=-5.5!,f=-12!) USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= -0.431! (180deg=-0.796!) USER MOD Single : A 46 SER OG : rot 180:sc= 0.183 USER MOD Single : A 48 MET CE :methyl 143:sc= -3.22! (180deg=-6.05!) USER MOD Single : A 57 THR OG1 : rot 180:sc= -3.95! USER MOD Single : A 59 THR OG1 : rot 66:sc= -1.39! USER MOD Single : A 62 THR OG1 : rot 41:sc= -3.53! USER MOD Single : A 76 LYS NZ :NH3+ 178:sc= 0.332! (180deg=0.31!) USER MOD Single : A 80 TYR OH : rot 1:sc= 0.292! USER MOD Single : A 82 GLN : amide:sc= -4.85! C(o=-4.9!,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 -17.329 6.844 -1.284 1.00 0.00 N ATOM 2 CA VAL A 2 -17.896 5.528 -1.012 1.00 0.00 C ATOM 3 C VAL A 2 -16.770 4.610 -0.538 1.00 0.00 C ATOM 4 O VAL A 2 -16.233 3.833 -1.322 1.00 0.00 O ATOM 5 CB VAL A 2 -18.545 4.985 -2.290 1.00 0.00 C ATOM 6 CG1 VAL A 2 -19.195 3.628 -2.033 1.00 0.00 C ATOM 7 CG2 VAL A 2 -19.610 5.949 -2.806 1.00 0.00 C ATOM 0 HA VAL A 2 -18.661 5.585 -0.238 1.00 0.00 H new ATOM 0 HB VAL A 2 -17.758 4.876 -3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -19.649 3.262 -2.954 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -18.438 2.920 -1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -19.963 3.732 -1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -20.058 5.544 -3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -20.382 6.079 -2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -19.152 6.913 -3.026 1.00 0.00 H new ATOM 19 N GLN A 3 -16.353 4.757 0.719 1.00 0.00 N ATOM 20 CA GLN A 3 -15.228 4.019 1.259 1.00 0.00 C ATOM 21 C GLN A 3 -15.665 2.988 2.283 1.00 0.00 C ATOM 22 O GLN A 3 -16.409 3.305 3.207 1.00 0.00 O ATOM 23 CB GLN A 3 -14.265 5.008 1.917 1.00 0.00 C ATOM 24 CG GLN A 3 -12.899 4.368 2.154 1.00 0.00 C ATOM 25 CD GLN A 3 -11.953 5.340 2.841 1.00 0.00 C ATOM 26 OE1 GLN A 3 -11.297 4.978 3.810 1.00 0.00 O ATOM 27 NE2 GLN A 3 -11.871 6.577 2.357 1.00 0.00 N ATOM 0 H GLN A 3 -16.790 5.393 1.386 1.00 0.00 H new ATOM 0 HA GLN A 3 -14.743 3.487 0.441 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -14.153 5.888 1.284 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -14.680 5.349 2.865 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.014 3.473 2.766 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.472 4.051 1.203 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -12.431 6.846 1.548 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -11.248 7.256 2.795 1.00 0.00 H new ATOM 36 N GLN A 4 -15.164 1.765 2.145 1.00 0.00 N ATOM 37 CA GLN A 4 -15.436 0.744 3.140 1.00 0.00 C ATOM 38 C GLN A 4 -14.171 -0.082 3.357 1.00 0.00 C ATOM 39 O GLN A 4 -13.301 -0.102 2.492 1.00 0.00 O ATOM 40 CB GLN A 4 -16.632 -0.114 2.706 1.00 0.00 C ATOM 41 CG GLN A 4 -17.631 -0.268 3.857 1.00 0.00 C ATOM 42 CD GLN A 4 -16.952 -0.897 5.062 1.00 0.00 C ATOM 43 OE1 GLN A 4 -16.432 -0.191 5.921 1.00 0.00 O ATOM 44 NE2 GLN A 4 -16.821 -2.216 5.070 1.00 0.00 N ATOM 0 H GLN A 4 -14.578 1.464 1.367 1.00 0.00 H new ATOM 0 HA GLN A 4 -15.709 1.201 4.091 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -17.124 0.346 1.849 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -16.285 -1.096 2.385 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -18.038 0.706 4.127 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.470 -0.887 3.539 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -17.265 -2.777 4.343 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -16.277 -2.670 5.803 1.00 0.00 H new ATOM 53 N LYS A 5 -14.035 -0.749 4.500 1.00 0.00 N ATOM 54 CA LYS A 5 -12.904 -1.602 4.777 1.00 0.00 C ATOM 55 C LYS A 5 -13.287 -2.749 5.701 1.00 0.00 C ATOM 56 O LYS A 5 -14.321 -2.706 6.372 1.00 0.00 O ATOM 57 CB LYS A 5 -11.786 -0.776 5.396 1.00 0.00 C ATOM 58 CG LYS A 5 -12.304 0.411 6.211 1.00 0.00 C ATOM 59 CD LYS A 5 -13.010 -0.065 7.473 1.00 0.00 C ATOM 60 CE LYS A 5 -13.705 1.111 8.156 1.00 0.00 C ATOM 61 NZ LYS A 5 -14.721 1.718 7.279 1.00 0.00 N ATOM 0 H LYS A 5 -14.715 -0.706 5.259 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.561 -2.036 3.838 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.182 -1.416 6.039 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.131 -0.409 4.605 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.473 1.064 6.478 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.992 1.001 5.605 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.740 -0.835 7.223 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.290 -0.518 8.154 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.175 0.772 9.079 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.965 1.862 8.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.383 2.279 7.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.255 2.335 6.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.243 0.968 6.782 1.00 0.00 H new ATOM 75 N VAL A 6 -12.430 -3.766 5.717 1.00 0.00 N ATOM 76 CA VAL A 6 -12.525 -4.937 6.569 1.00 0.00 C ATOM 77 C VAL A 6 -11.098 -5.306 6.967 1.00 0.00 C ATOM 78 O VAL A 6 -10.221 -5.391 6.113 1.00 0.00 O ATOM 79 CB VAL A 6 -13.247 -6.073 5.841 1.00 0.00 C ATOM 80 CG1 VAL A 6 -14.742 -5.769 5.838 1.00 0.00 C ATOM 81 CG2 VAL A 6 -12.769 -6.205 4.396 1.00 0.00 C ATOM 0 H VAL A 6 -11.614 -3.793 5.106 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.115 -4.739 7.464 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.033 -7.009 6.358 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -15.275 -6.568 5.323 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -15.101 -5.697 6.865 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.920 -4.824 5.324 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -13.303 -7.021 3.909 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.963 -5.275 3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.699 -6.413 4.384 1.00 0.00 H new ATOM 91 N GLU A 7 -10.826 -5.445 8.263 1.00 0.00 N ATOM 92 CA GLU A 7 -9.468 -5.690 8.715 1.00 0.00 C ATOM 93 C GLU A 7 -9.129 -7.167 8.822 1.00 0.00 C ATOM 94 O GLU A 7 -9.995 -8.014 9.026 1.00 0.00 O ATOM 95 CB GLU A 7 -9.241 -4.958 10.041 1.00 0.00 C ATOM 96 CG GLU A 7 -7.817 -5.134 10.574 1.00 0.00 C ATOM 97 CD GLU A 7 -7.508 -4.149 11.693 1.00 0.00 C ATOM 98 OE1 GLU A 7 -7.270 -2.968 11.358 1.00 0.00 O ATOM 99 OE2 GLU A 7 -7.506 -4.604 12.856 1.00 0.00 O ATOM 0 H GLU A 7 -11.522 -5.392 9.007 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.787 -5.297 7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.446 -3.896 9.905 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.950 -5.327 10.782 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.689 -6.153 10.940 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.105 -4.996 9.761 1.00 0.00 H new ATOM 106 N VAL A 8 -7.833 -7.435 8.684 1.00 0.00 N ATOM 107 CA VAL A 8 -7.225 -8.750 8.756 1.00 0.00 C ATOM 108 C VAL A 8 -5.760 -8.565 9.123 1.00 0.00 C ATOM 109 O VAL A 8 -5.256 -7.443 9.104 1.00 0.00 O ATOM 110 CB VAL A 8 -7.341 -9.442 7.399 1.00 0.00 C ATOM 111 CG1 VAL A 8 -8.732 -10.027 7.279 1.00 0.00 C ATOM 112 CG2 VAL A 8 -7.129 -8.462 6.248 1.00 0.00 C ATOM 0 H VAL A 8 -7.148 -6.699 8.510 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.726 -9.366 9.502 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.574 -10.214 7.339 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.835 -10.526 6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.894 -10.748 8.080 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.470 -9.229 7.355 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.219 -8.990 5.299 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.881 -7.674 6.297 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.135 -8.020 6.325 1.00 0.00 H new ATOM 122 N ARG A 9 -5.048 -9.637 9.455 1.00 0.00 N ATOM 123 CA ARG A 9 -3.636 -9.440 9.713 1.00 0.00 C ATOM 124 C ARG A 9 -2.945 -9.350 8.374 1.00 0.00 C ATOM 125 O ARG A 9 -3.179 -10.168 7.486 1.00 0.00 O ATOM 126 CB ARG A 9 -3.017 -10.520 10.601 1.00 0.00 C ATOM 127 CG ARG A 9 -1.497 -10.381 10.677 1.00 0.00 C ATOM 128 CD ARG A 9 -0.822 -11.129 9.523 1.00 0.00 C ATOM 129 NE ARG A 9 -0.929 -12.581 9.692 1.00 0.00 N ATOM 130 CZ ARG A 9 -1.845 -13.360 9.100 1.00 0.00 C ATOM 131 NH1 ARG A 9 -2.841 -12.832 8.384 1.00 0.00 N ATOM 132 NH2 ARG A 9 -1.762 -14.688 9.218 1.00 0.00 N ATOM 0 H ARG A 9 -5.400 -10.590 9.547 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.504 -8.520 10.282 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.440 -10.454 11.604 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.274 -11.505 10.211 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.222 -9.327 10.643 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.139 -10.773 11.629 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.282 -10.836 8.579 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.229 -10.844 9.468 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.254 -13.034 10.308 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.914 -11.820 8.280 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.529 -13.441 7.941 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.004 -15.106 9.757 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.457 -15.284 8.769 1.00 0.00 H new ATOM 146 N LEU A 10 -2.078 -8.358 8.259 1.00 0.00 N ATOM 147 CA LEU A 10 -1.268 -8.084 7.103 1.00 0.00 C ATOM 148 C LEU A 10 -0.259 -9.213 6.913 1.00 0.00 C ATOM 149 O LEU A 10 0.920 -9.074 7.212 1.00 0.00 O ATOM 150 CB LEU A 10 -0.609 -6.746 7.407 1.00 0.00 C ATOM 151 CG LEU A 10 0.323 -6.259 6.318 1.00 0.00 C ATOM 152 CD1 LEU A 10 -0.451 -5.986 5.032 1.00 0.00 C ATOM 153 CD2 LEU A 10 0.931 -4.979 6.871 1.00 0.00 C ATOM 0 H LEU A 10 -1.918 -7.692 9.015 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.831 -8.030 6.171 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.385 -5.998 7.568 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.050 -6.831 8.339 1.00 0.00 H new ATOM 0 HG LEU A 10 1.086 -6.996 6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.236 -5.637 4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.936 -6.903 4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.207 -5.223 5.217 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.622 -4.559 6.140 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.139 -4.259 7.076 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.468 -5.200 7.793 1.00 0.00 H new ATOM 165 N LYS A 11 -0.739 -10.351 6.430 1.00 0.00 N ATOM 166 CA LYS A 11 0.025 -11.556 6.187 1.00 0.00 C ATOM 167 C LYS A 11 0.915 -11.370 4.956 1.00 0.00 C ATOM 168 O LYS A 11 1.925 -12.059 4.806 1.00 0.00 O ATOM 169 CB LYS A 11 -0.996 -12.680 6.006 1.00 0.00 C ATOM 170 CG LYS A 11 -0.385 -13.948 5.432 1.00 0.00 C ATOM 171 CD LYS A 11 -0.273 -13.763 3.920 1.00 0.00 C ATOM 172 CE LYS A 11 -1.605 -13.218 3.413 1.00 0.00 C ATOM 173 NZ LYS A 11 -1.540 -12.859 1.988 1.00 0.00 N ATOM 0 H LYS A 11 -1.724 -10.459 6.186 1.00 0.00 H new ATOM 0 HA LYS A 11 0.696 -11.795 7.012 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.453 -12.907 6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.794 -12.337 5.347 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.596 -14.132 5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.006 -14.813 5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.537 -13.075 3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.040 -14.711 3.436 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.385 -13.964 3.565 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.885 -12.341 3.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.198 -12.076 1.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.572 -12.564 1.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.804 -13.682 1.410 1.00 0.00 H new ATOM 187 N THR A 12 0.505 -10.483 4.047 1.00 0.00 N ATOM 188 CA THR A 12 1.278 -10.111 2.883 1.00 0.00 C ATOM 189 C THR A 12 2.584 -9.474 3.346 1.00 0.00 C ATOM 190 O THR A 12 3.645 -10.047 3.126 1.00 0.00 O ATOM 191 CB THR A 12 0.452 -9.132 2.041 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.103 -8.137 2.883 1.00 0.00 O ATOM 193 CG2 THR A 12 -0.691 -9.875 1.358 1.00 0.00 C ATOM 0 H THR A 12 -0.391 -10.000 4.110 1.00 0.00 H new ATOM 0 HA THR A 12 1.515 -10.983 2.273 1.00 0.00 H new ATOM 0 HB THR A 12 1.100 -8.676 1.293 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.754 -7.607 2.378 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.275 -9.175 0.761 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.284 -10.652 0.711 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.332 -10.330 2.113 1.00 0.00 H new ATOM 201 N GLY A 13 2.467 -8.298 3.971 1.00 0.00 N ATOM 202 CA GLY A 13 3.543 -7.453 4.493 1.00 0.00 C ATOM 203 C GLY A 13 4.203 -6.591 3.413 1.00 0.00 C ATOM 204 O GLY A 13 5.337 -6.151 3.559 1.00 0.00 O ATOM 0 H GLY A 13 1.550 -7.883 4.137 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.143 -6.805 5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.300 -8.084 4.959 1.00 0.00 H new ATOM 208 N LEU A 14 3.504 -6.407 2.291 1.00 0.00 N ATOM 209 CA LEU A 14 3.765 -5.405 1.258 1.00 0.00 C ATOM 210 C LEU A 14 5.235 -5.120 0.940 1.00 0.00 C ATOM 211 O LEU A 14 5.634 -3.965 0.818 1.00 0.00 O ATOM 212 CB LEU A 14 3.007 -4.120 1.561 1.00 0.00 C ATOM 213 CG LEU A 14 1.543 -4.169 1.110 1.00 0.00 C ATOM 214 CD1 LEU A 14 1.422 -4.116 -0.404 1.00 0.00 C ATOM 215 CD2 LEU A 14 0.812 -5.409 1.617 1.00 0.00 C ATOM 0 H LEU A 14 2.695 -6.987 2.067 1.00 0.00 H new ATOM 0 HA LEU A 14 3.391 -5.859 0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.045 -3.926 2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.506 -3.285 1.068 1.00 0.00 H new ATOM 0 HG LEU A 14 1.074 -3.287 1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.370 -4.153 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.864 -3.190 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.945 -4.967 -0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.220 -5.391 1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.308 -6.303 1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.826 -5.419 2.707 1.00 0.00 H new ATOM 227 N GLN A 15 6.032 -6.164 0.752 1.00 0.00 N ATOM 228 CA GLN A 15 7.425 -6.004 0.384 1.00 0.00 C ATOM 229 C GLN A 15 7.508 -6.154 -1.123 1.00 0.00 C ATOM 230 O GLN A 15 7.932 -5.246 -1.831 1.00 0.00 O ATOM 231 CB GLN A 15 8.355 -7.039 1.037 1.00 0.00 C ATOM 232 CG GLN A 15 7.812 -7.715 2.296 1.00 0.00 C ATOM 233 CD GLN A 15 6.740 -8.741 1.963 1.00 0.00 C ATOM 234 OE1 GLN A 15 6.294 -8.852 0.816 1.00 0.00 O ATOM 235 NE2 GLN A 15 6.270 -9.463 2.962 1.00 0.00 N ATOM 0 H GLN A 15 5.732 -7.134 0.850 1.00 0.00 H new ATOM 0 HA GLN A 15 7.758 -5.027 0.733 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.583 -7.811 0.302 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.296 -6.549 1.287 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.629 -8.201 2.829 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.399 -6.960 2.965 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.657 -9.351 3.899 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.519 -10.134 2.798 1.00 0.00 H new ATOM 244 N ALA A 16 7.090 -7.323 -1.613 1.00 0.00 N ATOM 245 CA ALA A 16 7.146 -7.568 -3.038 1.00 0.00 C ATOM 246 C ALA A 16 5.917 -8.301 -3.562 1.00 0.00 C ATOM 247 O ALA A 16 4.999 -7.683 -4.081 1.00 0.00 O ATOM 248 CB ALA A 16 8.432 -8.324 -3.369 1.00 0.00 C ATOM 0 H ALA A 16 6.720 -8.091 -1.053 1.00 0.00 H new ATOM 0 HA ALA A 16 7.150 -6.603 -3.546 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.478 -8.511 -4.442 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.293 -7.727 -3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.443 -9.274 -2.835 1.00 0.00 H new ATOM 254 N ARG A 17 5.881 -9.623 -3.413 1.00 0.00 N ATOM 255 CA ARG A 17 4.854 -10.440 -4.051 1.00 0.00 C ATOM 256 C ARG A 17 3.459 -10.343 -3.432 1.00 0.00 C ATOM 257 O ARG A 17 2.503 -10.038 -4.149 1.00 0.00 O ATOM 258 CB ARG A 17 5.331 -11.885 -4.172 1.00 0.00 C ATOM 259 CG ARG A 17 4.841 -12.450 -5.505 1.00 0.00 C ATOM 260 CD ARG A 17 3.319 -12.582 -5.519 1.00 0.00 C ATOM 261 NE ARG A 17 2.888 -13.645 -4.608 1.00 0.00 N ATOM 262 CZ ARG A 17 1.823 -13.579 -3.800 1.00 0.00 C ATOM 263 NH1 ARG A 17 1.115 -12.448 -3.698 1.00 0.00 N ATOM 264 NH2 ARG A 17 1.480 -14.661 -3.094 1.00 0.00 N ATOM 0 H ARG A 17 6.552 -10.151 -2.855 1.00 0.00 H new ATOM 0 HA ARG A 17 4.718 -10.018 -5.047 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.419 -11.930 -4.119 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.947 -12.481 -3.344 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.160 -11.799 -6.319 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.296 -13.425 -5.680 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.863 -11.636 -5.225 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.976 -12.801 -6.530 1.00 0.00 H new ATOM 0 HE ARG A 17 3.442 -14.501 -4.588 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.385 -11.627 -4.239 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.305 -12.407 -3.080 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.027 -15.518 -3.176 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.671 -14.630 -2.473 1.00 0.00 H new ATOM 278 N PRO A 18 3.303 -10.627 -2.132 1.00 0.00 N ATOM 279 CA PRO A 18 2.018 -10.525 -1.449 1.00 0.00 C ATOM 280 C PRO A 18 1.503 -9.103 -1.539 1.00 0.00 C ATOM 281 O PRO A 18 0.329 -8.828 -1.775 1.00 0.00 O ATOM 282 CB PRO A 18 2.326 -10.863 0.008 1.00 0.00 C ATOM 283 CG PRO A 18 3.785 -10.427 0.155 1.00 0.00 C ATOM 284 CD PRO A 18 4.373 -10.860 -1.183 1.00 0.00 C ATOM 0 HA PRO A 18 1.264 -11.182 -1.882 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.672 -10.326 0.695 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.199 -11.926 0.212 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.877 -9.353 0.314 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.276 -10.917 0.996 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.261 -10.281 -1.434 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.670 -11.909 -1.167 1.00 0.00 H new ATOM 292 N ALA A 19 2.462 -8.210 -1.346 1.00 0.00 N ATOM 293 CA ALA A 19 2.367 -6.791 -1.448 1.00 0.00 C ATOM 294 C ALA A 19 1.791 -6.405 -2.798 1.00 0.00 C ATOM 295 O ALA A 19 0.817 -5.659 -2.872 1.00 0.00 O ATOM 296 CB ALA A 19 3.821 -6.378 -1.412 1.00 0.00 C ATOM 0 H ALA A 19 3.405 -8.504 -1.092 1.00 0.00 H new ATOM 0 HA ALA A 19 1.740 -6.339 -0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.893 -5.293 -1.484 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.271 -6.710 -0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.349 -6.833 -2.250 1.00 0.00 H new ATOM 302 N ALA A 20 2.402 -6.944 -3.851 1.00 0.00 N ATOM 303 CA ALA A 20 2.030 -6.684 -5.224 1.00 0.00 C ATOM 304 C ALA A 20 0.621 -7.181 -5.458 1.00 0.00 C ATOM 305 O ALA A 20 -0.170 -6.495 -6.090 1.00 0.00 O ATOM 306 CB ALA A 20 3.007 -7.382 -6.165 1.00 0.00 C ATOM 0 H ALA A 20 3.188 -7.588 -3.762 1.00 0.00 H new ATOM 0 HA ALA A 20 2.068 -5.613 -5.421 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.722 -7.183 -7.198 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.015 -7.006 -5.987 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.983 -8.456 -5.983 1.00 0.00 H new ATOM 312 N LEU A 21 0.296 -8.361 -4.930 1.00 0.00 N ATOM 313 CA LEU A 21 -1.047 -8.894 -5.086 1.00 0.00 C ATOM 314 C LEU A 21 -2.052 -7.930 -4.451 1.00 0.00 C ATOM 315 O LEU A 21 -2.978 -7.477 -5.124 1.00 0.00 O ATOM 316 CB LEU A 21 -1.114 -10.301 -4.496 1.00 0.00 C ATOM 317 CG LEU A 21 -2.263 -11.090 -5.122 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.158 -12.550 -4.693 1.00 0.00 C ATOM 319 CD2 LEU A 21 -3.617 -10.542 -4.683 1.00 0.00 C ATOM 0 H LEU A 21 0.935 -8.953 -4.400 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.307 -8.981 -6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.171 -10.820 -4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.251 -10.243 -3.416 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.189 -11.000 -6.206 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.975 -13.119 -5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.206 -12.960 -5.029 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.218 -12.615 -3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.413 -11.125 -5.146 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.702 -10.609 -3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.705 -9.500 -4.991 1.00 0.00 H new ATOM 331 N PHE A 22 -1.819 -7.592 -3.179 1.00 0.00 N ATOM 332 CA PHE A 22 -2.590 -6.658 -2.371 1.00 0.00 C ATOM 333 C PHE A 22 -2.838 -5.377 -3.158 1.00 0.00 C ATOM 334 O PHE A 22 -3.970 -5.065 -3.537 1.00 0.00 O ATOM 335 CB PHE A 22 -1.722 -6.382 -1.131 1.00 0.00 C ATOM 336 CG PHE A 22 -2.156 -5.259 -0.213 1.00 0.00 C ATOM 337 CD1 PHE A 22 -1.861 -3.927 -0.555 1.00 0.00 C ATOM 338 CD2 PHE A 22 -2.698 -5.543 1.050 1.00 0.00 C ATOM 339 CE1 PHE A 22 -2.169 -2.883 0.328 1.00 0.00 C ATOM 340 CE2 PHE A 22 -3.028 -4.497 1.928 1.00 0.00 C ATOM 341 CZ PHE A 22 -2.769 -3.165 1.565 1.00 0.00 C ATOM 0 H PHE A 22 -1.037 -7.991 -2.659 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.566 -7.055 -2.093 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.674 -7.298 -0.543 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.709 -6.167 -1.470 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.394 -3.707 -1.504 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.862 -6.568 1.348 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.945 -1.862 0.057 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.481 -4.717 2.883 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.031 -2.360 2.236 1.00 0.00 H new ATOM 351 N VAL A 23 -1.743 -4.655 -3.406 1.00 0.00 N ATOM 352 CA VAL A 23 -1.735 -3.382 -4.087 1.00 0.00 C ATOM 353 C VAL A 23 -2.417 -3.496 -5.440 1.00 0.00 C ATOM 354 O VAL A 23 -3.241 -2.656 -5.777 1.00 0.00 O ATOM 355 CB VAL A 23 -0.279 -2.925 -4.214 1.00 0.00 C ATOM 356 CG1 VAL A 23 -0.095 -1.844 -5.274 1.00 0.00 C ATOM 357 CG2 VAL A 23 0.176 -2.367 -2.870 1.00 0.00 C ATOM 0 H VAL A 23 -0.812 -4.961 -3.124 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.296 -2.639 -3.520 1.00 0.00 H new ATOM 0 HB VAL A 23 0.313 -3.790 -4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.955 -1.557 -5.322 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.411 -2.228 -6.244 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.698 -0.974 -5.014 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.212 -2.037 -2.945 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.455 -1.522 -2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.096 -3.143 -2.108 1.00 0.00 H new ATOM 367 N GLN A 24 -2.077 -4.516 -6.220 1.00 0.00 N ATOM 368 CA GLN A 24 -2.588 -4.704 -7.559 1.00 0.00 C ATOM 369 C GLN A 24 -4.080 -5.014 -7.572 1.00 0.00 C ATOM 370 O GLN A 24 -4.763 -4.573 -8.482 1.00 0.00 O ATOM 371 CB GLN A 24 -1.740 -5.773 -8.244 1.00 0.00 C ATOM 372 CG GLN A 24 -2.456 -6.443 -9.411 1.00 0.00 C ATOM 373 CD GLN A 24 -2.778 -7.900 -9.109 1.00 0.00 C ATOM 374 OE1 GLN A 24 -2.816 -8.722 -10.019 1.00 0.00 O ATOM 375 NE2 GLN A 24 -3.031 -8.256 -7.852 1.00 0.00 N ATOM 0 H GLN A 24 -1.426 -5.245 -5.927 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.504 -3.775 -8.123 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.816 -5.321 -8.603 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.461 -6.531 -7.513 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.378 -5.904 -9.631 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.832 -6.385 -10.303 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.995 -7.560 -7.108 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.261 -9.225 -7.633 1.00 0.00 H new ATOM 384 N GLU A 25 -4.607 -5.757 -6.602 1.00 0.00 N ATOM 385 CA GLU A 25 -6.024 -6.066 -6.584 1.00 0.00 C ATOM 386 C GLU A 25 -6.781 -4.824 -6.180 1.00 0.00 C ATOM 387 O GLU A 25 -7.698 -4.400 -6.887 1.00 0.00 O ATOM 388 CB GLU A 25 -6.324 -7.197 -5.603 1.00 0.00 C ATOM 389 CG GLU A 25 -5.564 -8.465 -5.975 1.00 0.00 C ATOM 390 CD GLU A 25 -5.998 -9.035 -7.319 1.00 0.00 C ATOM 391 OE1 GLU A 25 -7.018 -8.547 -7.854 1.00 0.00 O ATOM 392 OE2 GLU A 25 -5.291 -9.957 -7.782 1.00 0.00 O ATOM 0 H GLU A 25 -4.075 -6.151 -5.826 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.333 -6.392 -7.577 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.051 -6.889 -4.594 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.395 -7.401 -5.595 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.496 -8.249 -6.004 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.716 -9.216 -5.200 1.00 0.00 H new ATOM 399 N ALA A 26 -6.356 -4.245 -5.052 1.00 0.00 N ATOM 400 CA ALA A 26 -6.851 -2.967 -4.570 1.00 0.00 C ATOM 401 C ALA A 26 -6.917 -2.003 -5.748 1.00 0.00 C ATOM 402 O ALA A 26 -7.925 -1.348 -5.974 1.00 0.00 O ATOM 403 CB ALA A 26 -5.848 -2.438 -3.554 1.00 0.00 C ATOM 0 H ALA A 26 -5.650 -4.662 -4.446 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.838 -3.071 -4.118 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.190 -1.477 -3.171 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.758 -3.145 -2.730 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.877 -2.313 -4.033 1.00 0.00 H new ATOM 409 N ASN A 27 -5.817 -1.979 -6.497 1.00 0.00 N ATOM 410 CA ASN A 27 -5.584 -1.202 -7.695 1.00 0.00 C ATOM 411 C ASN A 27 -6.460 -1.567 -8.877 1.00 0.00 C ATOM 412 O ASN A 27 -6.790 -0.693 -9.673 1.00 0.00 O ATOM 413 CB ASN A 27 -4.181 -1.527 -8.168 1.00 0.00 C ATOM 414 CG ASN A 27 -3.263 -0.329 -7.989 1.00 0.00 C ATOM 415 OD1 ASN A 27 -3.510 0.749 -8.518 1.00 0.00 O ATOM 416 ND2 ASN A 27 -2.228 -0.516 -7.182 1.00 0.00 N ATOM 0 H ASN A 27 -5.007 -2.550 -6.256 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.779 -0.166 -7.419 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.791 -2.377 -7.608 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.204 -1.820 -9.218 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.595 0.257 -6.977 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.065 -1.433 -6.766 1.00 0.00 H new ATOM 423 N ARG A 28 -6.761 -2.857 -9.049 1.00 0.00 N ATOM 424 CA ARG A 28 -7.523 -3.306 -10.213 1.00 0.00 C ATOM 425 C ARG A 28 -8.884 -2.679 -10.106 1.00 0.00 C ATOM 426 O ARG A 28 -9.449 -2.129 -11.046 1.00 0.00 O ATOM 427 CB ARG A 28 -7.729 -4.815 -10.178 1.00 0.00 C ATOM 428 CG ARG A 28 -6.442 -5.553 -10.525 1.00 0.00 C ATOM 429 CD ARG A 28 -6.681 -7.060 -10.501 1.00 0.00 C ATOM 430 NE ARG A 28 -5.491 -7.770 -10.972 1.00 0.00 N ATOM 431 CZ ARG A 28 -5.081 -7.791 -12.246 1.00 0.00 C ATOM 432 NH1 ARG A 28 -5.809 -7.203 -13.200 1.00 0.00 N ATOM 433 NH2 ARG A 28 -3.931 -8.398 -12.551 1.00 0.00 N ATOM 0 H ARG A 28 -6.492 -3.600 -8.404 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.991 -3.034 -11.124 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.068 -5.116 -9.187 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.513 -5.094 -10.882 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.093 -5.248 -11.511 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.659 -5.289 -9.814 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.927 -7.380 -9.488 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.535 -7.310 -11.131 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.938 -8.282 -10.285 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.683 -6.735 -12.959 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.491 -7.222 -14.169 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.376 -8.838 -11.817 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.607 -8.421 -13.518 1.00 0.00 H new ATOM 447 N PHE A 29 -9.395 -2.831 -8.897 1.00 0.00 N ATOM 448 CA PHE A 29 -10.621 -2.243 -8.483 1.00 0.00 C ATOM 449 C PHE A 29 -10.446 -0.736 -8.531 1.00 0.00 C ATOM 450 O PHE A 29 -9.519 -0.172 -7.956 1.00 0.00 O ATOM 451 CB PHE A 29 -10.886 -2.826 -7.115 1.00 0.00 C ATOM 452 CG PHE A 29 -11.477 -4.219 -7.227 1.00 0.00 C ATOM 453 CD1 PHE A 29 -11.535 -4.868 -8.475 1.00 0.00 C ATOM 454 CD2 PHE A 29 -12.014 -4.853 -6.102 1.00 0.00 C ATOM 455 CE1 PHE A 29 -12.105 -6.147 -8.588 1.00 0.00 C ATOM 456 CE2 PHE A 29 -12.513 -6.161 -6.194 1.00 0.00 C ATOM 457 CZ PHE A 29 -12.585 -6.802 -7.441 1.00 0.00 C ATOM 0 H PHE A 29 -8.943 -3.385 -8.169 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.487 -2.451 -9.112 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.957 -2.865 -6.545 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.570 -2.179 -6.566 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -11.138 -4.379 -9.352 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.045 -4.332 -5.156 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.174 -6.626 -9.554 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -12.842 -6.676 -5.304 1.00 0.00 H new ATOM 0 HZ PHE A 29 -13.007 -7.793 -7.518 1.00 0.00 H new ATOM 467 N THR A 30 -11.331 -0.083 -9.266 1.00 0.00 N ATOM 468 CA THR A 30 -11.255 1.356 -9.476 1.00 0.00 C ATOM 469 C THR A 30 -11.814 2.099 -8.268 1.00 0.00 C ATOM 470 O THR A 30 -12.803 2.829 -8.351 1.00 0.00 O ATOM 471 CB THR A 30 -11.896 1.723 -10.813 1.00 0.00 C ATOM 472 OG1 THR A 30 -11.945 3.121 -10.983 1.00 0.00 O ATOM 473 CG2 THR A 30 -13.303 1.154 -10.951 1.00 0.00 C ATOM 0 H THR A 30 -12.119 -0.532 -9.733 1.00 0.00 H new ATOM 0 HA THR A 30 -10.217 1.679 -9.552 1.00 0.00 H new ATOM 0 HB THR A 30 -11.268 1.282 -11.587 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.331 3.535 -10.183 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.718 1.441 -11.917 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.264 0.067 -10.881 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.934 1.547 -10.154 1.00 0.00 H new ATOM 481 N SER A 31 -11.127 1.905 -7.151 1.00 0.00 N ATOM 482 CA SER A 31 -11.448 2.397 -5.842 1.00 0.00 C ATOM 483 C SER A 31 -10.254 3.044 -5.166 1.00 0.00 C ATOM 484 O SER A 31 -9.115 2.603 -5.310 1.00 0.00 O ATOM 485 CB SER A 31 -11.884 1.197 -5.001 1.00 0.00 C ATOM 486 OG SER A 31 -12.848 0.413 -5.682 1.00 0.00 O ATOM 0 H SER A 31 -10.267 1.356 -7.149 1.00 0.00 H new ATOM 0 HA SER A 31 -12.229 3.152 -5.932 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.016 0.583 -4.762 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.298 1.545 -4.055 1.00 0.00 H new ATOM 0 HG SER A 31 -12.398 -0.166 -6.333 1.00 0.00 H new ATOM 492 N ASP A 32 -10.537 4.076 -4.378 1.00 0.00 N ATOM 493 CA ASP A 32 -9.553 4.697 -3.521 1.00 0.00 C ATOM 494 C ASP A 32 -9.377 3.724 -2.368 1.00 0.00 C ATOM 495 O ASP A 32 -10.120 3.747 -1.392 1.00 0.00 O ATOM 496 CB ASP A 32 -10.088 6.042 -3.063 1.00 0.00 C ATOM 497 CG ASP A 32 -9.120 6.786 -2.159 1.00 0.00 C ATOM 498 OD1 ASP A 32 -7.918 6.442 -2.196 1.00 0.00 O ATOM 499 OD2 ASP A 32 -9.606 7.703 -1.461 1.00 0.00 O ATOM 0 H ASP A 32 -11.462 4.502 -4.321 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.597 4.889 -4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.307 6.657 -3.936 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.029 5.892 -2.534 1.00 0.00 H new ATOM 504 N VAL A 33 -8.488 2.768 -2.587 1.00 0.00 N ATOM 505 CA VAL A 33 -8.252 1.657 -1.691 1.00 0.00 C ATOM 506 C VAL A 33 -7.352 2.055 -0.531 1.00 0.00 C ATOM 507 O VAL A 33 -6.522 2.955 -0.643 1.00 0.00 O ATOM 508 CB VAL A 33 -7.686 0.510 -2.523 1.00 0.00 C ATOM 509 CG1 VAL A 33 -7.413 -0.712 -1.659 1.00 0.00 C ATOM 510 CG2 VAL A 33 -8.721 0.164 -3.590 1.00 0.00 C ATOM 0 H VAL A 33 -7.896 2.747 -3.418 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.182 1.334 -1.223 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.741 0.813 -2.973 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.010 -1.513 -2.279 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.691 -0.455 -0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.342 -1.044 -1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.349 -0.655 -4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.652 -0.137 -3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.902 1.037 -4.218 1.00 0.00 H new ATOM 520 N PHE A 34 -7.486 1.360 0.592 1.00 0.00 N ATOM 521 CA PHE A 34 -6.703 1.661 1.769 1.00 0.00 C ATOM 522 C PHE A 34 -6.312 0.409 2.528 1.00 0.00 C ATOM 523 O PHE A 34 -6.827 -0.678 2.287 1.00 0.00 O ATOM 524 CB PHE A 34 -7.461 2.602 2.706 1.00 0.00 C ATOM 525 CG PHE A 34 -7.741 3.969 2.131 1.00 0.00 C ATOM 526 CD1 PHE A 34 -6.717 4.928 2.098 1.00 0.00 C ATOM 527 CD2 PHE A 34 -8.992 4.258 1.564 1.00 0.00 C ATOM 528 CE1 PHE A 34 -6.946 6.189 1.524 1.00 0.00 C ATOM 529 CE2 PHE A 34 -9.223 5.518 0.990 1.00 0.00 C ATOM 530 CZ PHE A 34 -8.206 6.487 0.980 1.00 0.00 C ATOM 0 H PHE A 34 -8.135 0.581 0.706 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.794 2.150 1.420 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.408 2.136 2.979 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.886 2.719 3.625 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.749 4.695 2.516 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.774 3.513 1.569 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.157 6.926 1.501 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.185 5.743 0.555 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.393 7.462 0.554 1.00 0.00 H new ATOM 540 N LEU A 35 -5.376 0.580 3.445 1.00 0.00 N ATOM 541 CA LEU A 35 -4.996 -0.430 4.404 1.00 0.00 C ATOM 542 C LEU A 35 -4.622 0.339 5.652 1.00 0.00 C ATOM 543 O LEU A 35 -3.872 1.308 5.561 1.00 0.00 O ATOM 544 CB LEU A 35 -3.836 -1.283 3.918 1.00 0.00 C ATOM 545 CG LEU A 35 -3.639 -2.379 4.962 1.00 0.00 C ATOM 546 CD1 LEU A 35 -4.830 -3.333 4.906 1.00 0.00 C ATOM 547 CD2 LEU A 35 -2.343 -3.138 4.712 1.00 0.00 C ATOM 0 H LEU A 35 -4.849 1.448 3.542 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.810 -1.134 4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.053 -1.713 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.932 -0.684 3.809 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.574 -1.926 5.951 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.700 -4.121 5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.747 -2.783 5.117 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.894 -3.777 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.224 -3.914 5.468 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.375 -3.597 3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.501 -2.448 4.765 1.00 0.00 H new ATOM 559 N GLU A 36 -5.177 -0.043 6.794 1.00 0.00 N ATOM 560 CA GLU A 36 -4.961 0.730 8.000 1.00 0.00 C ATOM 561 C GLU A 36 -4.491 -0.146 9.147 1.00 0.00 C ATOM 562 O GLU A 36 -5.286 -0.937 9.652 1.00 0.00 O ATOM 563 CB GLU A 36 -6.250 1.431 8.413 1.00 0.00 C ATOM 564 CG GLU A 36 -7.393 1.279 7.409 1.00 0.00 C ATOM 565 CD GLU A 36 -8.735 1.293 8.123 1.00 0.00 C ATOM 566 OE1 GLU A 36 -8.757 1.739 9.290 1.00 0.00 O ATOM 567 OE2 GLU A 36 -9.711 0.834 7.494 1.00 0.00 O ATOM 0 H GLU A 36 -5.768 -0.867 6.907 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.187 1.465 7.781 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.573 1.037 9.377 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.044 2.492 8.555 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.354 2.088 6.680 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.278 0.346 6.857 1.00 0.00 H new ATOM 574 N LYS A 37 -3.247 0.027 9.593 1.00 0.00 N ATOM 575 CA LYS A 37 -2.697 -0.731 10.707 1.00 0.00 C ATOM 576 C LYS A 37 -3.470 -0.358 11.961 1.00 0.00 C ATOM 577 O LYS A 37 -3.235 0.700 12.540 1.00 0.00 O ATOM 578 CB LYS A 37 -1.208 -0.431 10.860 1.00 0.00 C ATOM 579 CG LYS A 37 -0.443 -0.945 9.641 1.00 0.00 C ATOM 580 CD LYS A 37 1.054 -0.701 9.829 1.00 0.00 C ATOM 581 CE LYS A 37 1.532 -1.344 11.131 1.00 0.00 C ATOM 582 NZ LYS A 37 2.937 -1.002 11.401 1.00 0.00 N ATOM 0 H LYS A 37 -2.594 0.699 9.189 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.796 -1.802 10.529 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.054 0.643 10.970 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.825 -0.902 11.765 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.633 -2.009 9.503 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.793 -0.440 8.741 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.607 -1.115 8.986 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.256 0.370 9.848 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.906 -1.008 11.958 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.423 -2.427 11.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.274 -1.543 12.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.517 -1.237 10.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.014 0.016 11.601 1.00 0.00 H new ATOM 596 N ASP A 38 -4.445 -1.192 12.323 1.00 0.00 N ATOM 597 CA ASP A 38 -5.374 -0.938 13.410 1.00 0.00 C ATOM 598 C ASP A 38 -6.001 0.443 13.234 1.00 0.00 C ATOM 599 O ASP A 38 -6.220 1.158 14.209 1.00 0.00 O ATOM 600 CB ASP A 38 -4.653 -1.049 14.750 1.00 0.00 C ATOM 601 CG ASP A 38 -4.200 -2.475 15.019 1.00 0.00 C ATOM 602 OD1 ASP A 38 -5.068 -3.282 15.414 1.00 0.00 O ATOM 603 OD2 ASP A 38 -2.992 -2.732 14.824 1.00 0.00 O ATOM 0 H ASP A 38 -4.610 -2.082 11.854 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.170 -1.683 13.394 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.789 -0.384 14.757 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.316 -0.719 15.550 1.00 0.00 H new ATOM 608 N GLY A 39 -6.261 0.842 11.985 1.00 0.00 N ATOM 609 CA GLY A 39 -6.806 2.165 11.745 1.00 0.00 C ATOM 610 C GLY A 39 -5.810 3.097 11.052 1.00 0.00 C ATOM 611 O GLY A 39 -6.219 4.075 10.429 1.00 0.00 O ATOM 0 H GLY A 39 -6.105 0.278 11.149 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.703 2.078 11.132 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.110 2.606 12.694 1.00 0.00 H new ATOM 615 N LYS A 40 -4.504 2.811 11.117 1.00 0.00 N ATOM 616 CA LYS A 40 -3.494 3.635 10.469 1.00 0.00 C ATOM 617 C LYS A 40 -3.546 3.359 8.972 1.00 0.00 C ATOM 618 O LYS A 40 -2.759 2.562 8.460 1.00 0.00 O ATOM 619 CB LYS A 40 -2.115 3.306 11.043 1.00 0.00 C ATOM 620 CG LYS A 40 -2.122 3.356 12.571 1.00 0.00 C ATOM 621 CD LYS A 40 -2.682 4.690 13.065 1.00 0.00 C ATOM 622 CE LYS A 40 -1.813 5.836 12.550 1.00 0.00 C ATOM 623 NZ LYS A 40 -2.357 7.140 12.962 1.00 0.00 N ATOM 0 H LYS A 40 -4.126 2.007 11.618 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.685 4.693 10.648 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.808 2.314 10.711 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.380 4.013 10.657 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.723 2.536 12.964 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.109 3.219 12.949 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.708 4.815 12.719 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.709 4.703 14.155 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.797 5.726 12.930 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.753 5.791 11.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.748 7.901 12.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.317 7.253 12.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.391 7.190 14.000 1.00 0.00 H new ATOM 637 N LYS A 41 -4.523 3.956 8.293 1.00 0.00 N ATOM 638 CA LYS A 41 -4.767 3.656 6.898 1.00 0.00 C ATOM 639 C LYS A 41 -3.969 4.510 5.919 1.00 0.00 C ATOM 640 O LYS A 41 -3.630 5.661 6.186 1.00 0.00 O ATOM 641 CB LYS A 41 -6.271 3.697 6.616 1.00 0.00 C ATOM 642 CG LYS A 41 -6.735 4.650 5.514 1.00 0.00 C ATOM 643 CD LYS A 41 -6.493 6.105 5.909 1.00 0.00 C ATOM 644 CE LYS A 41 -6.848 6.990 4.717 1.00 0.00 C ATOM 645 NZ LYS A 41 -6.646 8.412 5.034 1.00 0.00 N ATOM 0 H LYS A 41 -5.155 4.650 8.693 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.397 2.646 6.723 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.596 2.690 6.355 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.783 3.968 7.539 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.203 4.428 4.589 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.796 4.495 5.317 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.102 6.370 6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.452 6.253 6.195 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.233 6.715 3.860 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.887 6.822 4.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.895 8.991 4.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.251 8.678 5.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.649 8.574 5.283 1.00 0.00 H new ATOM 659 N VAL A 42 -3.746 3.925 4.748 1.00 0.00 N ATOM 660 CA VAL A 42 -3.089 4.531 3.600 1.00 0.00 C ATOM 661 C VAL A 42 -3.698 3.969 2.334 1.00 0.00 C ATOM 662 O VAL A 42 -4.435 2.989 2.408 1.00 0.00 O ATOM 663 CB VAL A 42 -1.596 4.225 3.615 1.00 0.00 C ATOM 664 CG1 VAL A 42 -0.932 5.086 4.677 1.00 0.00 C ATOM 665 CG2 VAL A 42 -1.382 2.740 3.906 1.00 0.00 C ATOM 0 H VAL A 42 -4.035 2.964 4.566 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.226 5.612 3.641 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.152 4.450 2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.138 4.877 4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.091 6.139 4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.365 4.861 5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.314 2.522 3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.812 2.494 4.877 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.867 2.144 3.133 1.00 0.00 H new ATOM 675 N ASN A 43 -3.426 4.595 1.186 1.00 0.00 N ATOM 676 CA ASN A 43 -3.922 4.120 -0.091 1.00 0.00 C ATOM 677 C ASN A 43 -3.256 2.788 -0.361 1.00 0.00 C ATOM 678 O ASN A 43 -2.095 2.727 -0.753 1.00 0.00 O ATOM 679 CB ASN A 43 -3.646 5.140 -1.195 1.00 0.00 C ATOM 680 CG ASN A 43 -4.063 4.638 -2.575 1.00 0.00 C ATOM 681 OD1 ASN A 43 -3.281 4.683 -3.516 1.00 0.00 O ATOM 682 ND2 ASN A 43 -5.288 4.155 -2.731 1.00 0.00 N ATOM 0 H ASN A 43 -2.858 5.440 1.124 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.004 3.991 -0.068 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.179 6.064 -0.972 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.583 5.380 -1.206 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.590 3.815 -3.644 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.929 4.124 -1.938 1.00 0.00 H new ATOM 689 N ALA A 44 -4.030 1.736 -0.129 1.00 0.00 N ATOM 690 CA ALA A 44 -3.634 0.342 -0.200 1.00 0.00 C ATOM 691 C ALA A 44 -2.894 0.012 -1.484 1.00 0.00 C ATOM 692 O ALA A 44 -1.885 -0.686 -1.471 1.00 0.00 O ATOM 693 CB ALA A 44 -4.897 -0.508 -0.153 1.00 0.00 C ATOM 0 H ALA A 44 -5.011 1.844 0.129 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.964 0.140 0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.628 -1.563 -0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.431 -0.315 0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.537 -0.255 -0.998 1.00 0.00 H new ATOM 699 N LYS A 45 -3.419 0.518 -2.594 1.00 0.00 N ATOM 700 CA LYS A 45 -2.855 0.253 -3.904 1.00 0.00 C ATOM 701 C LYS A 45 -1.610 1.100 -4.184 1.00 0.00 C ATOM 702 O LYS A 45 -0.942 0.907 -5.198 1.00 0.00 O ATOM 703 CB LYS A 45 -3.937 0.499 -4.950 1.00 0.00 C ATOM 704 CG LYS A 45 -4.456 1.930 -4.851 1.00 0.00 C ATOM 705 CD LYS A 45 -5.224 2.243 -6.132 1.00 0.00 C ATOM 706 CE LYS A 45 -6.516 1.424 -6.199 1.00 0.00 C ATOM 707 NZ LYS A 45 -7.156 1.532 -7.521 1.00 0.00 N ATOM 0 H LYS A 45 -4.243 1.119 -2.607 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.525 -0.785 -3.944 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.535 0.319 -5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.758 -0.203 -4.806 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.104 2.041 -3.982 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.628 2.628 -4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.459 3.307 -6.171 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.601 2.022 -6.999 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.296 0.378 -5.984 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.207 1.769 -5.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.883 0.795 -7.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.598 2.469 -7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.439 1.409 -8.265 1.00 0.00 H new ATOM 721 N SER A 46 -1.329 2.080 -3.329 1.00 0.00 N ATOM 722 CA SER A 46 -0.180 2.941 -3.499 1.00 0.00 C ATOM 723 C SER A 46 0.997 2.598 -2.582 1.00 0.00 C ATOM 724 O SER A 46 0.949 1.728 -1.710 1.00 0.00 O ATOM 725 CB SER A 46 -0.609 4.395 -3.314 1.00 0.00 C ATOM 726 OG SER A 46 0.376 5.278 -3.825 1.00 0.00 O ATOM 0 H SER A 46 -1.893 2.292 -2.506 1.00 0.00 H new ATOM 0 HA SER A 46 0.191 2.781 -4.511 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.557 4.567 -3.823 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.773 4.599 -2.256 1.00 0.00 H new ATOM 0 HG SER A 46 0.082 6.204 -3.699 1.00 0.00 H new ATOM 732 N ILE A 47 2.047 3.388 -2.794 1.00 0.00 N ATOM 733 CA ILE A 47 3.335 3.409 -2.124 1.00 0.00 C ATOM 734 C ILE A 47 3.195 3.328 -0.609 1.00 0.00 C ATOM 735 O ILE A 47 3.815 2.486 0.030 1.00 0.00 O ATOM 736 CB ILE A 47 4.050 4.704 -2.547 1.00 0.00 C ATOM 737 CG1 ILE A 47 5.529 4.707 -2.150 1.00 0.00 C ATOM 738 CG2 ILE A 47 3.339 5.940 -1.980 1.00 0.00 C ATOM 739 CD1 ILE A 47 5.725 4.871 -0.644 1.00 0.00 C ATOM 0 H ILE A 47 2.006 4.105 -3.519 1.00 0.00 H new ATOM 0 HA ILE A 47 3.916 2.534 -2.416 1.00 0.00 H new ATOM 0 HB ILE A 47 4.005 4.745 -3.635 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.992 3.775 -2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.041 5.516 -2.671 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.867 6.840 -2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.314 5.972 -2.350 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.330 5.887 -0.891 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.790 4.867 -0.413 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.287 5.815 -0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.237 4.048 -0.122 1.00 0.00 H new ATOM 751 N MET A 48 2.389 4.210 -0.023 1.00 0.00 N ATOM 752 CA MET A 48 2.244 4.284 1.413 1.00 0.00 C ATOM 753 C MET A 48 1.449 3.094 1.951 1.00 0.00 C ATOM 754 O MET A 48 1.544 2.760 3.133 1.00 0.00 O ATOM 755 CB MET A 48 1.652 5.647 1.752 1.00 0.00 C ATOM 756 CG MET A 48 1.648 5.856 3.263 1.00 0.00 C ATOM 757 SD MET A 48 1.205 7.527 3.785 1.00 0.00 S ATOM 758 CE MET A 48 -0.344 7.712 2.878 1.00 0.00 C ATOM 0 H MET A 48 1.824 4.887 -0.535 1.00 0.00 H new ATOM 0 HA MET A 48 3.209 4.207 1.914 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.232 6.434 1.270 1.00 0.00 H new ATOM 0 HB3 MET A 48 0.636 5.717 1.365 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.949 5.151 3.713 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.637 5.617 3.653 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.056 8.272 3.484 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.159 8.248 1.947 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.754 6.727 2.654 1.00 0.00 H new ATOM 768 N GLY A 49 0.671 2.432 1.092 1.00 0.00 N ATOM 769 CA GLY A 49 0.018 1.215 1.500 1.00 0.00 C ATOM 770 C GLY A 49 1.093 0.138 1.510 1.00 0.00 C ATOM 771 O GLY A 49 1.387 -0.389 2.574 1.00 0.00 O ATOM 0 H GLY A 49 0.488 2.721 0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.431 1.326 2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.786 0.955 0.812 1.00 0.00 H new ATOM 775 N LEU A 50 1.713 -0.146 0.357 1.00 0.00 N ATOM 776 CA LEU A 50 2.791 -1.120 0.238 1.00 0.00 C ATOM 777 C LEU A 50 3.909 -0.878 1.246 1.00 0.00 C ATOM 778 O LEU A 50 4.063 -1.599 2.223 1.00 0.00 O ATOM 779 CB LEU A 50 3.418 -0.989 -1.151 1.00 0.00 C ATOM 780 CG LEU A 50 3.067 -2.144 -2.082 1.00 0.00 C ATOM 781 CD1 LEU A 50 3.394 -1.741 -3.517 1.00 0.00 C ATOM 782 CD2 LEU A 50 3.878 -3.389 -1.729 1.00 0.00 C ATOM 0 H LEU A 50 1.472 0.303 -0.527 1.00 0.00 H new ATOM 0 HA LEU A 50 2.356 -2.103 0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.089 -0.054 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.502 -0.930 -1.049 1.00 0.00 H new ATOM 0 HG LEU A 50 2.006 -2.369 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.146 -2.561 -4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.813 -0.860 -3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.457 -1.514 -3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.612 -4.201 -2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.941 -3.170 -1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.661 -3.686 -0.703 1.00 0.00 H new ATOM 794 N MET A 51 4.710 0.148 0.979 1.00 0.00 N ATOM 795 CA MET A 51 5.913 0.441 1.718 1.00 0.00 C ATOM 796 C MET A 51 5.645 0.860 3.158 1.00 0.00 C ATOM 797 O MET A 51 6.414 0.510 4.048 1.00 0.00 O ATOM 798 CB MET A 51 6.654 1.559 0.987 1.00 0.00 C ATOM 799 CG MET A 51 7.996 1.851 1.656 1.00 0.00 C ATOM 800 SD MET A 51 8.690 3.458 1.216 1.00 0.00 S ATOM 801 CE MET A 51 7.429 4.505 1.968 1.00 0.00 C ATOM 0 H MET A 51 4.528 0.809 0.223 1.00 0.00 H new ATOM 0 HA MET A 51 6.509 -0.470 1.770 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.816 1.275 -0.053 1.00 0.00 H new ATOM 0 HB3 MET A 51 6.043 2.462 0.979 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.871 1.803 2.738 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.706 1.071 1.382 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.408 5.470 1.461 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.455 4.025 1.875 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.661 4.654 3.023 1.00 0.00 H new ATOM 811 N SER A 52 4.622 1.682 3.384 1.00 0.00 N ATOM 812 CA SER A 52 4.368 2.198 4.716 1.00 0.00 C ATOM 813 C SER A 52 3.597 1.239 5.624 1.00 0.00 C ATOM 814 O SER A 52 4.160 0.667 6.551 1.00 0.00 O ATOM 815 CB SER A 52 3.679 3.559 4.623 1.00 0.00 C ATOM 816 OG SER A 52 4.330 4.382 3.671 1.00 0.00 O ATOM 0 H SER A 52 3.967 1.998 2.669 1.00 0.00 H new ATOM 0 HA SER A 52 5.340 2.313 5.196 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.634 3.426 4.343 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.688 4.045 5.599 1.00 0.00 H new ATOM 0 HG SER A 52 4.587 5.229 4.092 1.00 0.00 H new ATOM 822 N LEU A 53 2.288 1.111 5.410 1.00 0.00 N ATOM 823 CA LEU A 53 1.440 0.368 6.334 1.00 0.00 C ATOM 824 C LEU A 53 1.482 -1.135 6.118 1.00 0.00 C ATOM 825 O LEU A 53 1.932 -1.892 6.980 1.00 0.00 O ATOM 826 CB LEU A 53 0.009 0.875 6.259 1.00 0.00 C ATOM 827 CG LEU A 53 -0.078 2.238 6.936 1.00 0.00 C ATOM 828 CD1 LEU A 53 0.540 2.190 8.331 1.00 0.00 C ATOM 829 CD2 LEU A 53 0.646 3.276 6.086 1.00 0.00 C ATOM 0 H LEU A 53 1.797 1.510 4.610 1.00 0.00 H new ATOM 0 HA LEU A 53 1.841 0.545 7.332 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.308 0.952 5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.665 0.170 6.746 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.128 2.512 7.034 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.467 3.173 8.795 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.007 1.460 8.940 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.588 1.902 8.255 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.584 4.250 6.570 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.692 2.991 5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.180 3.329 5.102 1.00 0.00 H new ATOM 841 N ALA A 54 0.979 -1.542 4.954 1.00 0.00 N ATOM 842 CA ALA A 54 0.826 -2.911 4.503 1.00 0.00 C ATOM 843 C ALA A 54 2.143 -3.680 4.466 1.00 0.00 C ATOM 844 O ALA A 54 2.126 -4.903 4.384 1.00 0.00 O ATOM 845 CB ALA A 54 0.139 -2.893 3.143 1.00 0.00 C ATOM 0 H ALA A 54 0.647 -0.873 4.259 1.00 0.00 H new ATOM 0 HA ALA A 54 0.210 -3.449 5.223 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.014 -3.915 2.785 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.838 -2.419 3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.749 -2.332 2.435 1.00 0.00 H new ATOM 851 N VAL A 55 3.285 -3.001 4.541 1.00 0.00 N ATOM 852 CA VAL A 55 4.571 -3.666 4.646 1.00 0.00 C ATOM 853 C VAL A 55 4.715 -4.352 6.011 1.00 0.00 C ATOM 854 O VAL A 55 5.561 -5.222 6.209 1.00 0.00 O ATOM 855 CB VAL A 55 5.683 -2.640 4.432 1.00 0.00 C ATOM 856 CG1 VAL A 55 5.808 -1.729 5.652 1.00 0.00 C ATOM 857 CG2 VAL A 55 7.008 -3.359 4.194 1.00 0.00 C ATOM 0 H VAL A 55 3.340 -1.983 4.530 1.00 0.00 H new ATOM 0 HA VAL A 55 4.644 -4.438 3.880 1.00 0.00 H new ATOM 0 HB VAL A 55 5.436 -2.032 3.561 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.604 -1.004 5.484 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.866 -1.204 5.812 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.043 -2.329 6.531 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.799 -2.624 4.042 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.248 -3.976 5.060 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.925 -3.991 3.310 1.00 0.00 H new ATOM 867 N SER A 56 3.885 -3.982 6.985 1.00 0.00 N ATOM 868 CA SER A 56 4.052 -4.513 8.318 1.00 0.00 C ATOM 869 C SER A 56 3.373 -5.857 8.519 1.00 0.00 C ATOM 870 O SER A 56 2.391 -5.951 9.261 1.00 0.00 O ATOM 871 CB SER A 56 3.561 -3.488 9.341 1.00 0.00 C ATOM 872 OG SER A 56 3.923 -2.172 8.958 1.00 0.00 O ATOM 0 H SER A 56 3.109 -3.330 6.872 1.00 0.00 H new ATOM 0 HA SER A 56 5.116 -4.697 8.464 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.478 -3.557 9.438 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.984 -3.715 10.320 1.00 0.00 H new ATOM 0 HG SER A 56 3.359 -1.882 8.210 1.00 0.00 H new ATOM 878 N THR A 57 3.907 -6.889 7.871 1.00 0.00 N ATOM 879 CA THR A 57 3.456 -8.260 8.011 1.00 0.00 C ATOM 880 C THR A 57 3.172 -8.618 9.470 1.00 0.00 C ATOM 881 O THR A 57 4.048 -8.527 10.328 1.00 0.00 O ATOM 882 CB THR A 57 4.511 -9.191 7.424 1.00 0.00 C ATOM 883 OG1 THR A 57 5.278 -8.500 6.456 1.00 0.00 O ATOM 884 CG2 THR A 57 3.781 -10.359 6.775 1.00 0.00 C ATOM 0 H THR A 57 4.685 -6.786 7.219 1.00 0.00 H new ATOM 0 HA THR A 57 2.518 -8.376 7.468 1.00 0.00 H new ATOM 0 HB THR A 57 5.186 -9.547 8.202 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.955 -9.103 6.084 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.507 -11.047 6.343 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.189 -10.881 7.527 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.123 -9.986 5.990 1.00 0.00 H new ATOM 892 N GLY A 58 1.928 -8.994 9.758 1.00 0.00 N ATOM 893 CA GLY A 58 1.500 -9.331 11.103 1.00 0.00 C ATOM 894 C GLY A 58 0.632 -8.241 11.734 1.00 0.00 C ATOM 895 O GLY A 58 -0.020 -8.492 12.744 1.00 0.00 O ATOM 0 H GLY A 58 1.190 -9.072 9.059 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.941 -10.267 11.079 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.377 -9.499 11.728 1.00 0.00 H new ATOM 899 N THR A 59 0.572 -7.043 11.150 1.00 0.00 N ATOM 900 CA THR A 59 -0.241 -5.987 11.734 1.00 0.00 C ATOM 901 C THR A 59 -1.679 -6.170 11.286 1.00 0.00 C ATOM 902 O THR A 59 -1.925 -6.276 10.087 1.00 0.00 O ATOM 903 CB THR A 59 0.224 -4.605 11.271 1.00 0.00 C ATOM 904 OG1 THR A 59 1.621 -4.456 11.395 1.00 0.00 O ATOM 905 CG2 THR A 59 -0.461 -3.527 12.109 1.00 0.00 C ATOM 0 H THR A 59 1.065 -6.788 10.294 1.00 0.00 H new ATOM 0 HA THR A 59 -0.149 -6.049 12.818 1.00 0.00 H new ATOM 0 HB THR A 59 -0.043 -4.502 10.219 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.071 -5.063 10.771 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.129 -2.543 11.778 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.542 -3.605 11.989 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.202 -3.663 13.159 1.00 0.00 H new ATOM 913 N GLU A 60 -2.637 -6.205 12.211 1.00 0.00 N ATOM 914 CA GLU A 60 -4.025 -6.256 11.796 1.00 0.00 C ATOM 915 C GLU A 60 -4.338 -4.914 11.148 1.00 0.00 C ATOM 916 O GLU A 60 -4.337 -3.880 11.810 1.00 0.00 O ATOM 917 CB GLU A 60 -4.934 -6.520 12.990 1.00 0.00 C ATOM 918 CG GLU A 60 -4.430 -7.717 13.795 1.00 0.00 C ATOM 919 CD GLU A 60 -4.758 -9.031 13.100 1.00 0.00 C ATOM 920 OE1 GLU A 60 -5.759 -9.047 12.351 1.00 0.00 O ATOM 921 OE2 GLU A 60 -3.999 -9.994 13.335 1.00 0.00 O ATOM 0 H GLU A 60 -2.480 -6.199 13.219 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.195 -7.069 11.091 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.972 -5.636 13.627 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.951 -6.709 12.645 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.352 -7.636 13.934 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.881 -7.706 14.787 1.00 0.00 H new ATOM 928 N VAL A 61 -4.545 -4.913 9.841 1.00 0.00 N ATOM 929 CA VAL A 61 -4.803 -3.706 9.094 1.00 0.00 C ATOM 930 C VAL A 61 -6.131 -3.852 8.368 1.00 0.00 C ATOM 931 O VAL A 61 -6.477 -4.928 7.878 1.00 0.00 O ATOM 932 CB VAL A 61 -3.631 -3.431 8.150 1.00 0.00 C ATOM 933 CG1 VAL A 61 -2.365 -3.169 8.956 1.00 0.00 C ATOM 934 CG2 VAL A 61 -3.324 -4.648 7.289 1.00 0.00 C ATOM 0 H VAL A 61 -4.537 -5.759 9.271 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.885 -2.843 9.755 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.913 -2.576 7.535 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.535 -2.974 8.277 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.517 -2.304 9.601 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.136 -4.042 9.568 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.487 -4.424 6.628 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.065 -5.491 7.930 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.200 -4.902 6.692 1.00 0.00 H new ATOM 944 N THR A 62 -6.920 -2.784 8.364 1.00 0.00 N ATOM 945 CA THR A 62 -8.204 -2.832 7.699 1.00 0.00 C ATOM 946 C THR A 62 -8.002 -2.506 6.229 1.00 0.00 C ATOM 947 O THR A 62 -7.409 -1.480 5.892 1.00 0.00 O ATOM 948 CB THR A 62 -9.205 -1.889 8.364 1.00 0.00 C ATOM 949 OG1 THR A 62 -9.272 -2.112 9.754 1.00 0.00 O ATOM 950 CG2 THR A 62 -10.598 -2.158 7.806 1.00 0.00 C ATOM 0 H THR A 62 -6.694 -1.893 8.806 1.00 0.00 H new ATOM 0 HA THR A 62 -8.627 -3.833 7.783 1.00 0.00 H new ATOM 0 HB THR A 62 -8.877 -0.869 8.166 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.370 -2.265 10.105 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.315 -1.487 8.278 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.598 -1.989 6.729 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.879 -3.191 8.011 1.00 0.00 H new ATOM 958 N LEU A 63 -8.449 -3.410 5.362 1.00 0.00 N ATOM 959 CA LEU A 63 -8.377 -3.247 3.934 1.00 0.00 C ATOM 960 C LEU A 63 -9.623 -2.503 3.478 1.00 0.00 C ATOM 961 O LEU A 63 -10.740 -3.008 3.583 1.00 0.00 O ATOM 962 CB LEU A 63 -8.264 -4.628 3.303 1.00 0.00 C ATOM 963 CG LEU A 63 -7.755 -4.545 1.870 1.00 0.00 C ATOM 964 CD1 LEU A 63 -8.806 -3.939 0.944 1.00 0.00 C ATOM 965 CD2 LEU A 63 -6.472 -3.720 1.803 1.00 0.00 C ATOM 0 H LEU A 63 -8.878 -4.290 5.650 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.507 -2.665 3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.589 -5.246 3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.238 -5.117 3.317 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.545 -5.561 1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.413 -3.893 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.703 -4.557 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.053 -2.933 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.124 -3.672 0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.669 -2.711 2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.707 -4.187 2.423 1.00 0.00 H new ATOM 977 N ILE A 64 -9.411 -1.281 3.012 1.00 0.00 N ATOM 978 CA ILE A 64 -10.431 -0.386 2.516 1.00 0.00 C ATOM 979 C ILE A 64 -10.414 -0.370 0.996 1.00 0.00 C ATOM 980 O ILE A 64 -9.402 -0.656 0.363 1.00 0.00 O ATOM 981 CB ILE A 64 -10.120 1.042 2.992 1.00 0.00 C ATOM 982 CG1 ILE A 64 -9.936 1.115 4.502 1.00 0.00 C ATOM 983 CG2 ILE A 64 -11.253 1.989 2.606 1.00 0.00 C ATOM 984 CD1 ILE A 64 -9.796 2.555 4.983 1.00 0.00 C ATOM 0 H ILE A 64 -8.477 -0.873 2.970 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.401 -0.724 2.882 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.189 1.337 2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -10.788 0.647 4.996 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.051 0.548 4.789 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.018 2.996 2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.370 1.994 1.522 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.181 1.654 3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.667 2.566 6.065 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.929 3.014 4.509 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -10.693 3.116 4.719 1.00 0.00 H new ATOM 996 N ALA A 65 -11.533 0.025 0.411 1.00 0.00 N ATOM 997 CA ALA A 65 -11.659 0.353 -0.980 1.00 0.00 C ATOM 998 C ALA A 65 -12.800 1.330 -1.011 1.00 0.00 C ATOM 999 O ALA A 65 -13.834 1.125 -0.376 1.00 0.00 O ATOM 1000 CB ALA A 65 -11.932 -0.855 -1.861 1.00 0.00 C ATOM 0 H ALA A 65 -12.409 0.127 0.923 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.731 0.760 -1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.016 -0.536 -2.900 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.113 -1.568 -1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.863 -1.329 -1.550 1.00 0.00 H new ATOM 1006 N GLN A 66 -12.557 2.439 -1.679 1.00 0.00 N ATOM 1007 CA GLN A 66 -13.526 3.485 -1.771 1.00 0.00 C ATOM 1008 C GLN A 66 -13.561 3.934 -3.215 1.00 0.00 C ATOM 1009 O GLN A 66 -13.092 5.016 -3.573 1.00 0.00 O ATOM 1010 CB GLN A 66 -13.079 4.559 -0.805 1.00 0.00 C ATOM 1011 CG GLN A 66 -14.025 5.733 -0.906 1.00 0.00 C ATOM 1012 CD GLN A 66 -13.245 7.022 -0.876 1.00 0.00 C ATOM 1013 OE1 GLN A 66 -13.277 7.746 0.118 1.00 0.00 O ATOM 1014 NE2 GLN A 66 -12.561 7.311 -1.971 1.00 0.00 N ATOM 0 H GLN A 66 -11.682 2.630 -2.168 1.00 0.00 H new ATOM 0 HA GLN A 66 -14.541 3.191 -1.503 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -13.069 4.170 0.213 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -12.061 4.874 -1.036 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.602 5.668 -1.828 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.738 5.709 -0.082 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.573 6.670 -2.764 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.021 8.175 -2.022 1.00 0.00 H new ATOM 1023 N GLY A 67 -14.038 3.021 -4.049 1.00 0.00 N ATOM 1024 CA GLY A 67 -14.121 3.175 -5.480 1.00 0.00 C ATOM 1025 C GLY A 67 -15.336 2.439 -6.006 1.00 0.00 C ATOM 1026 O GLY A 67 -16.218 2.038 -5.247 1.00 0.00 O ATOM 0 H GLY A 67 -14.390 2.120 -3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.185 4.232 -5.738 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.217 2.786 -5.950 1.00 0.00 H new ATOM 1030 N GLU A 68 -15.317 2.202 -7.312 1.00 0.00 N ATOM 1031 CA GLU A 68 -16.328 1.436 -8.008 1.00 0.00 C ATOM 1032 C GLU A 68 -16.452 0.051 -7.382 1.00 0.00 C ATOM 1033 O GLU A 68 -17.551 -0.478 -7.240 1.00 0.00 O ATOM 1034 CB GLU A 68 -15.907 1.322 -9.469 1.00 0.00 C ATOM 1035 CG GLU A 68 -15.744 2.714 -10.084 1.00 0.00 C ATOM 1036 CD GLU A 68 -17.046 3.500 -10.044 1.00 0.00 C ATOM 1037 OE1 GLU A 68 -17.927 3.176 -10.869 1.00 0.00 O ATOM 1038 OE2 GLU A 68 -17.135 4.402 -9.184 1.00 0.00 O ATOM 0 H GLU A 68 -14.579 2.548 -7.925 1.00 0.00 H new ATOM 0 HA GLU A 68 -17.298 1.928 -7.936 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.969 0.772 -9.542 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -16.653 0.756 -10.027 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.971 3.262 -9.545 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -15.407 2.619 -11.116 1.00 0.00 H new ATOM 1045 N ASP A 69 -15.324 -0.545 -6.990 1.00 0.00 N ATOM 1046 CA ASP A 69 -15.346 -1.823 -6.322 1.00 0.00 C ATOM 1047 C ASP A 69 -14.970 -1.498 -4.893 1.00 0.00 C ATOM 1048 O ASP A 69 -13.903 -1.908 -4.462 1.00 0.00 O ATOM 1049 CB ASP A 69 -14.327 -2.791 -6.931 1.00 0.00 C ATOM 1050 CG ASP A 69 -14.267 -2.752 -8.453 1.00 0.00 C ATOM 1051 OD1 ASP A 69 -13.496 -1.913 -8.973 1.00 0.00 O ATOM 1052 OD2 ASP A 69 -14.990 -3.564 -9.068 1.00 0.00 O ATOM 0 H ASP A 69 -14.392 -0.154 -7.129 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.316 -2.313 -6.409 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.339 -2.560 -6.533 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.570 -3.805 -6.613 1.00 0.00 H new ATOM 1057 N GLU A 70 -15.745 -0.668 -4.198 1.00 0.00 N ATOM 1058 CA GLU A 70 -15.468 -0.286 -2.830 1.00 0.00 C ATOM 1059 C GLU A 70 -15.490 -1.552 -1.982 1.00 0.00 C ATOM 1060 O GLU A 70 -14.453 -2.180 -1.761 1.00 0.00 O ATOM 1061 CB GLU A 70 -16.549 0.717 -2.427 1.00 0.00 C ATOM 1062 CG GLU A 70 -16.485 1.082 -0.948 1.00 0.00 C ATOM 1063 CD GLU A 70 -17.851 0.962 -0.296 1.00 0.00 C ATOM 1064 OE1 GLU A 70 -18.550 -0.015 -0.647 1.00 0.00 O ATOM 1065 OE2 GLU A 70 -18.167 1.838 0.534 1.00 0.00 O ATOM 0 H GLU A 70 -16.589 -0.242 -4.580 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.493 0.182 -2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.442 1.621 -3.026 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -17.530 0.299 -2.653 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.777 0.428 -0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -16.114 2.101 -0.837 1.00 0.00 H new ATOM 1072 N GLN A 71 -16.690 -1.957 -1.560 1.00 0.00 N ATOM 1073 CA GLN A 71 -16.910 -3.167 -0.795 1.00 0.00 C ATOM 1074 C GLN A 71 -16.208 -4.369 -1.413 1.00 0.00 C ATOM 1075 O GLN A 71 -15.677 -5.208 -0.693 1.00 0.00 O ATOM 1076 CB GLN A 71 -18.412 -3.428 -0.718 1.00 0.00 C ATOM 1077 CG GLN A 71 -18.961 -2.827 0.574 1.00 0.00 C ATOM 1078 CD GLN A 71 -18.375 -3.512 1.804 1.00 0.00 C ATOM 1079 OE1 GLN A 71 -18.408 -2.965 2.900 1.00 0.00 O ATOM 1080 NE2 GLN A 71 -17.816 -4.707 1.641 1.00 0.00 N ATOM 0 H GLN A 71 -17.547 -1.437 -1.749 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.491 -3.026 0.202 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -18.914 -2.988 -1.580 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -18.609 -4.500 -0.747 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -18.733 -1.762 0.606 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -20.047 -2.921 0.587 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -17.801 -5.142 0.718 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -17.402 -5.189 2.439 1.00 0.00 H new ATOM 1089 N GLU A 72 -16.211 -4.444 -2.742 1.00 0.00 N ATOM 1090 CA GLU A 72 -15.622 -5.552 -3.453 1.00 0.00 C ATOM 1091 C GLU A 72 -14.114 -5.600 -3.218 1.00 0.00 C ATOM 1092 O GLU A 72 -13.555 -6.648 -2.898 1.00 0.00 O ATOM 1093 CB GLU A 72 -15.952 -5.364 -4.934 1.00 0.00 C ATOM 1094 CG GLU A 72 -15.378 -6.490 -5.784 1.00 0.00 C ATOM 1095 CD GLU A 72 -16.028 -7.835 -5.492 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -17.245 -7.832 -5.207 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -15.284 -8.836 -5.558 1.00 0.00 O ATOM 0 H GLU A 72 -16.624 -3.734 -3.346 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.023 -6.501 -3.098 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.033 -5.324 -5.064 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -15.554 -4.409 -5.278 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.511 -6.248 -6.838 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.305 -6.563 -5.607 1.00 0.00 H new ATOM 1104 N ALA A 73 -13.450 -4.458 -3.397 1.00 0.00 N ATOM 1105 CA ALA A 73 -12.015 -4.352 -3.254 1.00 0.00 C ATOM 1106 C ALA A 73 -11.598 -4.607 -1.819 1.00 0.00 C ATOM 1107 O ALA A 73 -10.726 -5.435 -1.558 1.00 0.00 O ATOM 1108 CB ALA A 73 -11.650 -2.950 -3.715 1.00 0.00 C ATOM 0 H ALA A 73 -13.905 -3.580 -3.647 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.492 -5.099 -3.851 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.573 -2.808 -3.630 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.953 -2.818 -4.754 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.163 -2.217 -3.092 1.00 0.00 H new ATOM 1114 N LEU A 74 -12.250 -3.898 -0.899 1.00 0.00 N ATOM 1115 CA LEU A 74 -11.966 -4.017 0.515 1.00 0.00 C ATOM 1116 C LEU A 74 -12.161 -5.460 0.989 1.00 0.00 C ATOM 1117 O LEU A 74 -11.269 -6.009 1.634 1.00 0.00 O ATOM 1118 CB LEU A 74 -12.789 -2.974 1.268 1.00 0.00 C ATOM 1119 CG LEU A 74 -14.282 -3.155 1.015 1.00 0.00 C ATOM 1120 CD1 LEU A 74 -14.895 -3.997 2.120 1.00 0.00 C ATOM 1121 CD2 LEU A 74 -14.966 -1.796 0.965 1.00 0.00 C ATOM 0 H LEU A 74 -12.987 -3.229 -1.120 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.919 -3.802 0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.587 -3.051 2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.484 -1.975 0.958 1.00 0.00 H new ATOM 0 HG LEU A 74 -14.422 -3.662 0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -15.961 -4.122 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -14.413 -4.975 2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -14.751 -3.499 3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -16.032 -1.932 0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -14.822 -1.281 1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.534 -1.201 0.160 1.00 0.00 H new ATOM 1133 N GLU A 75 -13.279 -6.101 0.627 1.00 0.00 N ATOM 1134 CA GLU A 75 -13.523 -7.478 1.028 1.00 0.00 C ATOM 1135 C GLU A 75 -12.512 -8.433 0.412 1.00 0.00 C ATOM 1136 O GLU A 75 -11.859 -9.177 1.144 1.00 0.00 O ATOM 1137 CB GLU A 75 -14.934 -7.924 0.653 1.00 0.00 C ATOM 1138 CG GLU A 75 -15.988 -7.093 1.381 1.00 0.00 C ATOM 1139 CD GLU A 75 -15.866 -7.149 2.898 1.00 0.00 C ATOM 1140 OE1 GLU A 75 -15.130 -8.028 3.396 1.00 0.00 O ATOM 1141 OE2 GLU A 75 -16.530 -6.299 3.530 1.00 0.00 O ATOM 0 H GLU A 75 -14.019 -5.686 0.061 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.415 -7.509 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.074 -7.830 -0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -15.063 -8.978 0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.909 -6.055 1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.979 -7.443 1.091 1.00 0.00 H new ATOM 1148 N LYS A 76 -12.383 -8.433 -0.923 1.00 0.00 N ATOM 1149 CA LYS A 76 -11.466 -9.361 -1.567 1.00 0.00 C ATOM 1150 C LYS A 76 -10.071 -9.227 -0.977 1.00 0.00 C ATOM 1151 O LYS A 76 -9.408 -10.218 -0.672 1.00 0.00 O ATOM 1152 CB LYS A 76 -11.431 -9.183 -3.085 1.00 0.00 C ATOM 1153 CG LYS A 76 -10.880 -7.834 -3.544 1.00 0.00 C ATOM 1154 CD LYS A 76 -10.377 -8.018 -4.977 1.00 0.00 C ATOM 1155 CE LYS A 76 -9.617 -6.781 -5.454 1.00 0.00 C ATOM 1156 NZ LYS A 76 -9.237 -6.902 -6.872 1.00 0.00 N ATOM 0 H LYS A 76 -12.891 -7.815 -1.556 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.836 -10.368 -1.373 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.824 -9.978 -3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.441 -9.303 -3.477 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.654 -7.068 -3.503 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.071 -7.506 -2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.727 -8.891 -5.029 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.220 -8.209 -5.640 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.236 -5.895 -5.315 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.723 -6.644 -4.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.752 -6.034 -7.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.599 -7.715 -6.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.090 -7.043 -7.449 1.00 0.00 H new ATOM 1170 N LEU A 77 -9.623 -7.991 -0.782 1.00 0.00 N ATOM 1171 CA LEU A 77 -8.310 -7.815 -0.250 1.00 0.00 C ATOM 1172 C LEU A 77 -8.168 -8.177 1.209 1.00 0.00 C ATOM 1173 O LEU A 77 -7.186 -8.824 1.543 1.00 0.00 O ATOM 1174 CB LEU A 77 -7.834 -6.428 -0.518 1.00 0.00 C ATOM 1175 CG LEU A 77 -6.491 -6.735 -1.106 1.00 0.00 C ATOM 1176 CD1 LEU A 77 -6.713 -7.071 -2.567 1.00 0.00 C ATOM 1177 CD2 LEU A 77 -5.807 -5.424 -0.954 1.00 0.00 C ATOM 0 H LEU A 77 -10.141 -7.135 -0.981 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.672 -8.529 -0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.481 -5.890 -1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.767 -5.826 0.388 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.936 -7.559 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.757 -7.302 -3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.374 -7.934 -2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.168 -6.219 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.793 -5.495 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.358 -4.660 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.768 -5.154 0.101 1.00 0.00 H new ATOM 1189 N ALA A 78 -9.095 -7.791 2.088 1.00 0.00 N ATOM 1190 CA ALA A 78 -8.997 -8.259 3.467 1.00 0.00 C ATOM 1191 C ALA A 78 -9.009 -9.789 3.481 1.00 0.00 C ATOM 1192 O ALA A 78 -8.417 -10.409 4.362 1.00 0.00 O ATOM 1193 CB ALA A 78 -10.085 -7.671 4.359 1.00 0.00 C ATOM 0 H ALA A 78 -9.888 -7.183 1.882 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.054 -7.908 3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.968 -8.050 5.374 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.002 -6.584 4.366 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -11.064 -7.958 3.975 1.00 0.00 H new ATOM 1199 N ALA A 79 -9.647 -10.414 2.488 1.00 0.00 N ATOM 1200 CA ALA A 79 -9.571 -11.848 2.320 1.00 0.00 C ATOM 1201 C ALA A 79 -8.124 -12.226 2.021 1.00 0.00 C ATOM 1202 O ALA A 79 -7.548 -13.062 2.708 1.00 0.00 O ATOM 1203 CB ALA A 79 -10.443 -12.255 1.138 1.00 0.00 C ATOM 0 H ALA A 79 -10.221 -9.938 1.792 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.913 -12.352 3.224 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.392 -13.335 1.003 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.475 -11.961 1.329 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.086 -11.760 0.235 1.00 0.00 H new ATOM 1209 N TYR A 80 -7.534 -11.581 1.011 1.00 0.00 N ATOM 1210 CA TYR A 80 -6.215 -11.907 0.517 1.00 0.00 C ATOM 1211 C TYR A 80 -5.075 -11.611 1.489 1.00 0.00 C ATOM 1212 O TYR A 80 -4.314 -12.502 1.849 1.00 0.00 O ATOM 1213 CB TYR A 80 -6.009 -11.121 -0.772 1.00 0.00 C ATOM 1214 CG TYR A 80 -4.639 -11.370 -1.370 1.00 0.00 C ATOM 1215 CD1 TYR A 80 -4.182 -12.697 -1.462 1.00 0.00 C ATOM 1216 CD2 TYR A 80 -3.707 -10.314 -1.391 1.00 0.00 C ATOM 1217 CE1 TYR A 80 -2.804 -12.969 -1.499 1.00 0.00 C ATOM 1218 CE2 TYR A 80 -2.329 -10.586 -1.463 1.00 0.00 C ATOM 1219 CZ TYR A 80 -1.878 -11.915 -1.478 1.00 0.00 C ATOM 1220 OH TYR A 80 -0.545 -12.186 -1.415 1.00 0.00 O ATOM 0 H TYR A 80 -7.975 -10.808 0.513 1.00 0.00 H new ATOM 0 HA TYR A 80 -6.180 -12.986 0.364 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.777 -11.399 -1.494 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -6.130 -10.056 -0.572 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -4.892 -13.509 -1.504 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.052 -9.291 -1.352 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.457 -13.991 -1.544 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.619 -9.773 -1.507 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.409 -13.156 -1.406 1.00 0.00 H new ATOM 1230 N VAL A 81 -4.928 -10.342 1.862 1.00 0.00 N ATOM 1231 CA VAL A 81 -3.852 -9.775 2.665 1.00 0.00 C ATOM 1232 C VAL A 81 -3.473 -10.591 3.895 1.00 0.00 C ATOM 1233 O VAL A 81 -2.305 -10.621 4.265 1.00 0.00 O ATOM 1234 CB VAL A 81 -4.247 -8.358 3.075 1.00 0.00 C ATOM 1235 CG1 VAL A 81 -4.630 -7.569 1.829 1.00 0.00 C ATOM 1236 CG2 VAL A 81 -5.460 -8.407 3.998 1.00 0.00 C ATOM 0 H VAL A 81 -5.609 -9.633 1.590 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.960 -9.779 2.039 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.408 -7.887 3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.914 -6.556 2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.780 -7.531 1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.470 -8.056 1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.738 -7.394 4.288 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.294 -8.877 3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.216 -8.985 4.889 1.00 0.00 H new ATOM 1246 N GLN A 82 -4.452 -11.230 4.527 1.00 0.00 N ATOM 1247 CA GLN A 82 -4.296 -12.026 5.737 1.00 0.00 C ATOM 1248 C GLN A 82 -4.302 -13.538 5.479 1.00 0.00 C ATOM 1249 O GLN A 82 -4.125 -14.331 6.400 1.00 0.00 O ATOM 1250 CB GLN A 82 -5.556 -11.758 6.557 1.00 0.00 C ATOM 1251 CG GLN A 82 -6.710 -12.263 5.706 1.00 0.00 C ATOM 1252 CD GLN A 82 -7.843 -12.820 6.535 1.00 0.00 C ATOM 1253 OE1 GLN A 82 -7.642 -13.462 7.560 1.00 0.00 O ATOM 1254 NE2 GLN A 82 -9.049 -12.539 6.079 1.00 0.00 N ATOM 0 H GLN A 82 -5.416 -11.206 4.195 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.348 -11.759 6.205 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.518 -12.277 7.515 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.664 -10.695 6.774 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.084 -11.447 5.087 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.346 -13.036 5.029 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.157 -12.000 5.220 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.874 -12.860 6.586 1.00 0.00 H new ATOM 1263 N GLU A 83 -4.607 -13.903 4.238 1.00 0.00 N ATOM 1264 CA GLU A 83 -5.015 -15.222 3.800 1.00 0.00 C ATOM 1265 C GLU A 83 -3.943 -16.300 3.845 1.00 0.00 C ATOM 1266 O GLU A 83 -4.127 -17.325 4.495 1.00 0.00 O ATOM 1267 CB GLU A 83 -5.578 -14.997 2.405 1.00 0.00 C ATOM 1268 CG GLU A 83 -6.356 -16.170 1.818 1.00 0.00 C ATOM 1269 CD GLU A 83 -6.935 -15.772 0.466 1.00 0.00 C ATOM 1270 OE1 GLU A 83 -6.284 -14.946 -0.213 1.00 0.00 O ATOM 1271 OE2 GLU A 83 -8.022 -16.294 0.142 1.00 0.00 O ATOM 0 H GLU A 83 -4.572 -13.238 3.466 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.746 -15.637 4.494 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.232 -14.126 2.432 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.754 -14.757 1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.701 -17.034 1.705 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.157 -16.464 2.496 1.00 0.00 H new ATOM 1278 N GLU A 84 -2.857 -16.112 3.100 1.00 0.00 N ATOM 1279 CA GLU A 84 -1.802 -17.108 3.087 1.00 0.00 C ATOM 1280 C GLU A 84 -0.791 -16.765 4.181 1.00 0.00 C ATOM 1281 O GLU A 84 -1.162 -16.585 5.337 1.00 0.00 O ATOM 1282 CB GLU A 84 -1.199 -17.196 1.677 1.00 0.00 C ATOM 1283 CG GLU A 84 -0.800 -15.811 1.164 1.00 0.00 C ATOM 1284 CD GLU A 84 -0.129 -15.854 -0.200 1.00 0.00 C ATOM 1285 OE1 GLU A 84 0.537 -16.871 -0.486 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -0.283 -14.848 -0.928 1.00 0.00 O ATOM 0 H GLU A 84 -2.690 -15.296 2.511 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.183 -18.104 3.313 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.326 -17.848 1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.922 -17.646 0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.688 -15.181 1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.124 -15.345 1.881 1.00 0.00 H new ATOM 1293 N VAL A 85 0.477 -16.623 3.800 1.00 0.00 N ATOM 1294 CA VAL A 85 1.582 -16.208 4.650 1.00 0.00 C ATOM 1295 C VAL A 85 2.690 -15.801 3.691 1.00 0.00 C ATOM 1296 O VAL A 85 3.044 -16.618 2.786 1.00 0.00 O ATOM 1297 CB VAL A 85 2.060 -17.378 5.597 1.00 0.00 C ATOM 1298 CG1 VAL A 85 1.174 -17.663 6.842 1.00 0.00 C ATOM 1299 CG2 VAL A 85 2.210 -18.743 4.882 1.00 0.00 C ATOM 1300 OXT VAL A 85 3.250 -14.666 3.794 1.00 0.00 O ATOM 0 H VAL A 85 0.772 -16.804 2.841 1.00 0.00 H new ATOM 0 HA VAL A 85 1.290 -15.392 5.312 1.00 0.00 H new ATOM 0 HB VAL A 85 3.021 -16.977 5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.603 -18.486 7.414 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.128 -16.772 7.468 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.168 -17.932 6.519 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.541 -19.495 5.599 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.250 -19.041 4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.945 -18.656 4.082 1.00 0.00 H new TER 1310 VAL A 85