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 3 GLN : amide:sc= -1.04! C(o=0.43!,f=-12!) USER MOD Set 1.2: A 41 LYS NZ :NH3+ -135:sc= 1.3 (180deg=0.0859) USER MOD Set 1.3: A 66 GLN : amide:sc= 0.171 K(o=0.43,f=-11!) USER MOD Set 2.1: A 15 GLN : amide:sc= -1.07 K(o=-3.9,f=-5.3!) USER MOD Set 2.2: A 57 THR OG1 : rot 180:sc= -2.8! USER MOD Set 3.1: A 43 ASN : amide:sc= -2.1! C(o=-0.91!,f=-13!) USER MOD Set 3.2: A 46 SER OG : rot 81:sc= 1.19 USER MOD Set 4.1: A 11 LYS NZ :NH3+ 143:sc= -0.749! (180deg=-3.83!) USER MOD Set 4.2: A 12 THR OG1 : rot 63:sc= 1.3 USER MOD Set 5.1: A 4 GLN :FLIP amide:sc= 1.2 F(o=-3.9,f=-3) USER MOD Set 5.2: A 71 GLN :FLIP amide:sc= -4.23! C(o=-3.9!,f=-3!) USER MOD Single : A 5 LYS NZ :NH3+ -178:sc= -1.46 (180deg=-1.7) USER MOD Single : A 24 GLN : amide:sc= -4.52! C(o=-4.5!,f=-9.6!) USER MOD Single : A 27 ASN : amide:sc= -7.11! C(o=-7.1!,f=-8.9!) USER MOD Single : A 30 THR OG1 : rot 170:sc= 1.03 USER MOD Single : A 31 SER OG : rot 76:sc= -0.227 USER MOD Single : A 37 LYS NZ :NH3+ -123:sc= -0.243 (180deg=-0.766) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 172:sc= -0.419! (180deg=-0.721!) USER MOD Single : A 48 MET CE :methyl -144:sc= -6.21! (180deg=-7.35!) USER MOD Single : A 51 MET CE :methyl -167:sc= -4.56 (180deg=-5.66!) USER MOD Single : A 52 SER OG : rot -130:sc= -2.69! USER MOD Single : A 56 SER OG : rot 32:sc= -0.741! USER MOD Single : A 59 THR OG1 : rot 69:sc= -4.49! USER MOD Single : A 62 THR OG1 : rot 149:sc= -1.33! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot -29:sc= -0.135 USER MOD Single : A 82 GLN : amide:sc= -6.43! C(o=-6.4!,f=-9.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 -18.993 4.146 -0.205 1.00 0.00 N ATOM 2 CA VAL A 2 -18.303 3.982 -1.481 1.00 0.00 C ATOM 3 C VAL A 2 -16.946 3.401 -1.089 1.00 0.00 C ATOM 4 O VAL A 2 -16.633 2.259 -1.409 1.00 0.00 O ATOM 5 CB VAL A 2 -18.218 5.279 -2.295 1.00 0.00 C ATOM 6 CG1 VAL A 2 -17.421 5.045 -3.580 1.00 0.00 C ATOM 7 CG2 VAL A 2 -19.623 5.738 -2.678 1.00 0.00 C ATOM 0 HA VAL A 2 -18.840 3.324 -2.164 1.00 0.00 H new ATOM 0 HB VAL A 2 -17.724 6.037 -1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -17.368 5.973 -4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -16.413 4.715 -3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -17.914 4.280 -4.179 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -19.560 6.660 -3.256 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -20.107 4.967 -3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -20.207 5.916 -1.775 1.00 0.00 H new ATOM 19 N GLN A 3 -16.166 4.161 -0.318 1.00 0.00 N ATOM 20 CA GLN A 3 -14.983 3.630 0.319 1.00 0.00 C ATOM 21 C GLN A 3 -15.477 2.611 1.337 1.00 0.00 C ATOM 22 O GLN A 3 -16.184 2.968 2.285 1.00 0.00 O ATOM 23 CB GLN A 3 -14.235 4.741 1.048 1.00 0.00 C ATOM 24 CG GLN A 3 -12.788 4.365 1.354 1.00 0.00 C ATOM 25 CD GLN A 3 -12.089 5.475 2.128 1.00 0.00 C ATOM 26 OE1 GLN A 3 -11.464 5.213 3.149 1.00 0.00 O ATOM 27 NE2 GLN A 3 -12.180 6.718 1.665 1.00 0.00 N ATOM 0 H GLN A 3 -16.342 5.147 -0.126 1.00 0.00 H new ATOM 0 HA GLN A 3 -14.307 3.188 -0.412 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -14.252 5.646 0.440 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -14.752 4.973 1.979 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -12.763 3.442 1.933 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.254 4.173 0.424 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -12.707 6.907 0.812 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -11.723 7.482 2.162 1.00 0.00 H new ATOM 36 N GLN A 4 -15.158 1.349 1.092 1.00 0.00 N ATOM 37 CA GLN A 4 -15.486 0.249 1.980 1.00 0.00 C ATOM 38 C GLN A 4 -14.181 -0.487 2.258 1.00 0.00 C ATOM 39 O GLN A 4 -13.270 -0.426 1.431 1.00 0.00 O ATOM 40 CB GLN A 4 -16.477 -0.701 1.307 1.00 0.00 C ATOM 41 CG GLN A 4 -17.497 0.029 0.433 1.00 0.00 C ATOM 42 CD GLN A 4 -18.672 0.538 1.244 1.00 0.00 C ATOM 43 OE1 GLN A 4 -19.316 -0.354 1.988 1.00 0.00 O flip ATOM 44 NE2 GLN A 4 -18.999 1.725 1.220 1.00 0.00 N flip ATOM 0 H GLN A 4 -14.655 1.058 0.254 1.00 0.00 H new ATOM 0 HA GLN A 4 -15.945 0.615 2.899 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -15.928 -1.418 0.696 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -17.003 -1.272 2.072 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -17.012 0.866 -0.069 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -17.857 -0.644 -0.345 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -18.483 2.384 0.637 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -19.786 2.049 1.783 1.00 0.00 H new ATOM 53 N LYS A 5 -14.061 -1.175 3.390 1.00 0.00 N ATOM 54 CA LYS A 5 -12.852 -1.909 3.684 1.00 0.00 C ATOM 55 C LYS A 5 -13.123 -3.139 4.523 1.00 0.00 C ATOM 56 O LYS A 5 -14.127 -3.229 5.228 1.00 0.00 O ATOM 57 CB LYS A 5 -11.851 -1.012 4.399 1.00 0.00 C ATOM 58 CG LYS A 5 -12.477 -0.116 5.468 1.00 0.00 C ATOM 59 CD LYS A 5 -13.092 -0.943 6.597 1.00 0.00 C ATOM 60 CE LYS A 5 -13.566 -0.010 7.707 1.00 0.00 C ATOM 61 NZ LYS A 5 -12.422 0.628 8.379 1.00 0.00 N ATOM 0 H LYS A 5 -14.783 -1.235 4.108 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.436 -2.239 2.732 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.086 -1.635 4.863 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.348 -0.385 3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -11.718 0.552 5.876 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.244 0.512 5.015 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.928 -1.530 6.218 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.358 -1.648 6.988 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.221 0.755 7.290 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.153 -0.571 8.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.766 1.232 9.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.794 -0.105 8.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.897 1.208 7.694 1.00 0.00 H new ATOM 75 N VAL A 6 -12.180 -4.066 4.443 1.00 0.00 N ATOM 76 CA VAL A 6 -12.165 -5.285 5.211 1.00 0.00 C ATOM 77 C VAL A 6 -10.840 -5.287 5.951 1.00 0.00 C ATOM 78 O VAL A 6 -9.793 -5.071 5.345 1.00 0.00 O ATOM 79 CB VAL A 6 -12.277 -6.472 4.259 1.00 0.00 C ATOM 80 CG1 VAL A 6 -12.096 -7.789 5.011 1.00 0.00 C ATOM 81 CG2 VAL A 6 -13.638 -6.438 3.569 1.00 0.00 C ATOM 0 H VAL A 6 -11.379 -3.979 3.817 1.00 0.00 H new ATOM 0 HA VAL A 6 -12.995 -5.355 5.915 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.488 -6.402 3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -12.180 -8.621 4.312 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.113 -7.807 5.481 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.866 -7.879 5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -13.722 -7.285 2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.427 -6.496 4.318 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -13.738 -5.509 3.007 1.00 0.00 H new ATOM 91 N GLU A 7 -10.844 -5.464 7.264 1.00 0.00 N ATOM 92 CA GLU A 7 -9.567 -5.469 7.943 1.00 0.00 C ATOM 93 C GLU A 7 -8.881 -6.815 7.763 1.00 0.00 C ATOM 94 O GLU A 7 -9.528 -7.857 7.637 1.00 0.00 O ATOM 95 CB GLU A 7 -9.710 -5.119 9.425 1.00 0.00 C ATOM 96 CG GLU A 7 -10.266 -3.712 9.674 1.00 0.00 C ATOM 97 CD GLU A 7 -11.762 -3.600 9.394 1.00 0.00 C ATOM 98 OE1 GLU A 7 -12.429 -4.658 9.378 1.00 0.00 O ATOM 99 OE2 GLU A 7 -12.208 -2.453 9.182 1.00 0.00 O ATOM 0 H GLU A 7 -11.669 -5.599 7.849 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.945 -4.696 7.492 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.366 -5.849 9.900 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.735 -5.206 9.906 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.074 -3.430 10.709 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.731 -3.000 9.046 1.00 0.00 H new ATOM 106 N VAL A 8 -7.554 -6.790 7.728 1.00 0.00 N ATOM 107 CA VAL A 8 -6.807 -8.002 7.492 1.00 0.00 C ATOM 108 C VAL A 8 -5.544 -8.027 8.331 1.00 0.00 C ATOM 109 O VAL A 8 -4.934 -6.988 8.556 1.00 0.00 O ATOM 110 CB VAL A 8 -6.417 -8.081 6.001 1.00 0.00 C ATOM 111 CG1 VAL A 8 -7.216 -7.102 5.143 1.00 0.00 C ATOM 112 CG2 VAL A 8 -4.929 -7.798 5.776 1.00 0.00 C ATOM 0 H VAL A 8 -6.987 -5.952 7.859 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.432 -8.852 7.766 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.645 -9.104 5.701 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.907 -7.194 4.102 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.279 -7.328 5.227 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.033 -6.084 5.487 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.703 -7.865 4.712 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.691 -6.797 6.135 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.333 -8.530 6.321 1.00 0.00 H new ATOM 122 N ARG A 9 -5.110 -9.204 8.766 1.00 0.00 N ATOM 123 CA ARG A 9 -3.748 -9.276 9.254 1.00 0.00 C ATOM 124 C ARG A 9 -2.906 -9.401 7.992 1.00 0.00 C ATOM 125 O ARG A 9 -3.112 -10.325 7.212 1.00 0.00 O ATOM 126 CB ARG A 9 -3.548 -10.438 10.223 1.00 0.00 C ATOM 127 CG ARG A 9 -2.058 -10.665 10.461 1.00 0.00 C ATOM 128 CD ARG A 9 -1.495 -11.595 9.382 1.00 0.00 C ATOM 129 NE ARG A 9 -1.923 -12.979 9.604 1.00 0.00 N ATOM 130 CZ ARG A 9 -2.856 -13.625 8.890 1.00 0.00 C ATOM 131 NH1 ARG A 9 -3.540 -13.006 7.925 1.00 0.00 N ATOM 132 NH2 ARG A 9 -3.107 -14.912 9.149 1.00 0.00 N ATOM 0 H ARG A 9 -5.647 -10.071 8.790 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.466 -8.401 9.839 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.048 -10.225 11.168 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -4.003 -11.342 9.819 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.529 -9.712 10.445 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.900 -11.101 11.448 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.828 -11.261 8.399 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.406 -11.543 9.384 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.475 -13.492 10.363 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.357 -12.024 7.720 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.246 -13.515 7.393 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.591 -15.394 9.885 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.815 -15.412 8.611 1.00 0.00 H new ATOM 146 N LEU A 10 -1.980 -8.477 7.762 1.00 0.00 N ATOM 147 CA LEU A 10 -1.198 -8.445 6.541 1.00 0.00 C ATOM 148 C LEU A 10 -0.313 -9.688 6.377 1.00 0.00 C ATOM 149 O LEU A 10 0.878 -9.644 6.657 1.00 0.00 O ATOM 150 CB LEU A 10 -0.363 -7.164 6.550 1.00 0.00 C ATOM 151 CG LEU A 10 -0.052 -6.649 5.145 1.00 0.00 C ATOM 152 CD1 LEU A 10 -0.174 -7.735 4.085 1.00 0.00 C ATOM 153 CD2 LEU A 10 -1.008 -5.515 4.786 1.00 0.00 C ATOM 0 H LEU A 10 -1.754 -7.731 8.420 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.872 -8.452 5.685 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.896 -6.392 7.105 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.572 -7.349 7.079 1.00 0.00 H new ATOM 0 HG LEU A 10 0.981 -6.300 5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.057 -7.315 3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.524 -8.542 4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.191 -8.127 4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.782 -5.152 3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.034 -5.881 4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.892 -4.701 5.502 1.00 0.00 H new ATOM 165 N LYS A 11 -0.863 -10.784 5.866 1.00 0.00 N ATOM 166 CA LYS A 11 -0.151 -12.039 5.661 1.00 0.00 C ATOM 167 C LYS A 11 0.841 -11.919 4.495 1.00 0.00 C ATOM 168 O LYS A 11 1.790 -12.696 4.385 1.00 0.00 O ATOM 169 CB LYS A 11 -1.211 -13.124 5.417 1.00 0.00 C ATOM 170 CG LYS A 11 -0.655 -14.378 4.754 1.00 0.00 C ATOM 171 CD LYS A 11 -0.524 -14.117 3.253 1.00 0.00 C ATOM 172 CE LYS A 11 -1.830 -13.501 2.771 1.00 0.00 C ATOM 173 NZ LYS A 11 -1.817 -13.267 1.327 1.00 0.00 N ATOM 0 H LYS A 11 -1.840 -10.825 5.576 1.00 0.00 H new ATOM 0 HA LYS A 11 0.447 -12.301 6.534 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.666 -13.397 6.369 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.003 -12.713 4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.315 -14.633 5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.315 -15.226 4.935 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.311 -13.446 3.054 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.320 -15.046 2.720 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.659 -14.161 3.025 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.002 -12.558 3.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.761 -13.460 0.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.559 -12.277 1.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.121 -13.897 0.879 1.00 0.00 H new ATOM 187 N THR A 12 0.588 -10.971 3.596 1.00 0.00 N ATOM 188 CA THR A 12 1.431 -10.698 2.442 1.00 0.00 C ATOM 189 C THR A 12 2.583 -9.735 2.773 1.00 0.00 C ATOM 190 O THR A 12 3.492 -9.581 1.951 1.00 0.00 O ATOM 191 CB THR A 12 0.572 -10.006 1.382 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.652 -10.674 1.199 1.00 0.00 O ATOM 193 CG2 THR A 12 1.322 -9.958 0.059 1.00 0.00 C ATOM 0 H THR A 12 -0.227 -10.360 3.654 1.00 0.00 H new ATOM 0 HA THR A 12 1.848 -11.647 2.106 1.00 0.00 H new ATOM 0 HB THR A 12 0.364 -8.994 1.729 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.168 -10.645 2.032 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.705 -9.464 -0.691 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.251 -9.403 0.187 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.548 -10.973 -0.268 1.00 0.00 H new ATOM 201 N GLY A 13 2.432 -8.988 3.883 1.00 0.00 N ATOM 202 CA GLY A 13 3.276 -7.879 4.347 1.00 0.00 C ATOM 203 C GLY A 13 3.786 -6.984 3.215 1.00 0.00 C ATOM 204 O GLY A 13 4.855 -6.391 3.311 1.00 0.00 O ATOM 0 H GLY A 13 1.658 -9.160 4.524 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.709 -7.272 5.052 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.129 -8.285 4.891 1.00 0.00 H new ATOM 208 N LEU A 14 3.004 -6.928 2.134 1.00 0.00 N ATOM 209 CA LEU A 14 3.249 -6.225 0.888 1.00 0.00 C ATOM 210 C LEU A 14 4.712 -6.289 0.456 1.00 0.00 C ATOM 211 O LEU A 14 5.289 -5.286 0.047 1.00 0.00 O ATOM 212 CB LEU A 14 2.605 -4.851 0.840 1.00 0.00 C ATOM 213 CG LEU A 14 1.293 -5.086 0.078 1.00 0.00 C ATOM 214 CD1 LEU A 14 0.222 -5.703 0.974 1.00 0.00 C ATOM 215 CD2 LEU A 14 0.753 -3.803 -0.545 1.00 0.00 C ATOM 0 H LEU A 14 2.109 -7.417 2.114 1.00 0.00 H new ATOM 0 HA LEU A 14 2.723 -6.771 0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.421 -4.460 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.241 -4.129 0.328 1.00 0.00 H new ATOM 0 HG LEU A 14 1.532 -5.786 -0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.691 -5.854 0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.574 -6.662 1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.018 -5.034 1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.176 -4.018 -1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.563 -3.070 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.485 -3.403 -1.246 1.00 0.00 H new ATOM 227 N GLN A 15 5.271 -7.500 0.484 1.00 0.00 N ATOM 228 CA GLN A 15 6.681 -7.718 0.191 1.00 0.00 C ATOM 229 C GLN A 15 7.079 -7.297 -1.218 1.00 0.00 C ATOM 230 O GLN A 15 7.837 -6.347 -1.389 1.00 0.00 O ATOM 231 CB GLN A 15 7.069 -9.178 0.431 1.00 0.00 C ATOM 232 CG GLN A 15 6.680 -9.635 1.834 1.00 0.00 C ATOM 233 CD GLN A 15 7.195 -8.723 2.933 1.00 0.00 C ATOM 234 OE1 GLN A 15 8.118 -7.936 2.740 1.00 0.00 O ATOM 235 NE2 GLN A 15 6.579 -8.840 4.097 1.00 0.00 N ATOM 0 H GLN A 15 4.758 -8.352 0.710 1.00 0.00 H new ATOM 0 HA GLN A 15 7.231 -7.076 0.879 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.580 -9.812 -0.308 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.144 -9.298 0.293 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.594 -9.693 1.900 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.064 -10.642 1.999 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.817 -9.509 4.206 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.866 -8.261 4.886 1.00 0.00 H new ATOM 244 N ALA A 16 6.611 -8.025 -2.237 1.00 0.00 N ATOM 245 CA ALA A 16 7.020 -7.704 -3.601 1.00 0.00 C ATOM 246 C ALA A 16 6.241 -8.457 -4.671 1.00 0.00 C ATOM 247 O ALA A 16 6.042 -7.942 -5.767 1.00 0.00 O ATOM 248 CB ALA A 16 8.507 -8.010 -3.775 1.00 0.00 C ATOM 0 H ALA A 16 5.971 -8.814 -2.147 1.00 0.00 H new ATOM 0 HA ALA A 16 6.810 -6.643 -3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.811 -7.770 -4.794 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.086 -7.411 -3.073 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.686 -9.068 -3.583 1.00 0.00 H new ATOM 254 N ARG A 17 5.832 -9.694 -4.394 1.00 0.00 N ATOM 255 CA ARG A 17 5.139 -10.478 -5.406 1.00 0.00 C ATOM 256 C ARG A 17 3.650 -10.608 -5.107 1.00 0.00 C ATOM 257 O ARG A 17 2.847 -10.052 -5.850 1.00 0.00 O ATOM 258 CB ARG A 17 5.839 -11.818 -5.621 1.00 0.00 C ATOM 259 CG ARG A 17 7.310 -11.556 -5.950 1.00 0.00 C ATOM 260 CD ARG A 17 7.445 -10.489 -7.039 1.00 0.00 C ATOM 261 NE ARG A 17 8.851 -10.119 -7.217 1.00 0.00 N ATOM 262 CZ ARG A 17 9.314 -8.860 -7.242 1.00 0.00 C ATOM 263 NH1 ARG A 17 8.488 -7.816 -7.101 1.00 0.00 N ATOM 264 NH2 ARG A 17 10.623 -8.649 -7.409 1.00 0.00 N ATOM 0 H ARG A 17 5.966 -10.163 -3.498 1.00 0.00 H new ATOM 0 HA ARG A 17 5.193 -9.942 -6.354 1.00 0.00 H new ATOM 0 HB2 ARG A 17 5.756 -12.435 -4.727 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.362 -12.367 -6.433 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.836 -11.233 -5.052 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.783 -12.481 -6.281 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.039 -10.865 -7.978 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.862 -9.609 -6.769 1.00 0.00 H new ATOM 0 HE ARG A 17 9.528 -10.874 -7.330 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.488 -7.971 -6.972 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.859 -6.866 -7.123 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.258 -9.440 -7.516 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.987 -7.697 -7.430 1.00 0.00 H new ATOM 278 N PRO A 18 3.259 -11.284 -4.018 1.00 0.00 N ATOM 279 CA PRO A 18 1.865 -11.395 -3.605 1.00 0.00 C ATOM 280 C PRO A 18 1.299 -9.998 -3.395 1.00 0.00 C ATOM 281 O PRO A 18 0.212 -9.650 -3.841 1.00 0.00 O ATOM 282 CB PRO A 18 1.918 -12.148 -2.273 1.00 0.00 C ATOM 283 CG PRO A 18 3.270 -11.698 -1.710 1.00 0.00 C ATOM 284 CD PRO A 18 4.132 -11.767 -2.967 1.00 0.00 C ATOM 0 HA PRO A 18 1.239 -11.903 -4.338 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.091 -11.876 -1.617 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.872 -13.228 -2.412 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.230 -10.693 -1.289 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.632 -12.359 -0.922 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.024 -11.148 -2.873 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.469 -12.785 -3.164 1.00 0.00 H new ATOM 292 N ALA A 19 2.095 -9.178 -2.720 1.00 0.00 N ATOM 293 CA ALA A 19 1.835 -7.793 -2.442 1.00 0.00 C ATOM 294 C ALA A 19 1.614 -7.019 -3.732 1.00 0.00 C ATOM 295 O ALA A 19 0.704 -6.200 -3.812 1.00 0.00 O ATOM 296 CB ALA A 19 3.102 -7.305 -1.793 1.00 0.00 C ATOM 0 H ALA A 19 2.986 -9.491 -2.335 1.00 0.00 H new ATOM 0 HA ALA A 19 0.947 -7.661 -1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.999 -6.249 -1.542 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.289 -7.877 -0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.937 -7.435 -2.482 1.00 0.00 H new ATOM 302 N ALA A 20 2.466 -7.289 -4.725 1.00 0.00 N ATOM 303 CA ALA A 20 2.381 -6.711 -6.054 1.00 0.00 C ATOM 304 C ALA A 20 1.074 -7.147 -6.699 1.00 0.00 C ATOM 305 O ALA A 20 0.418 -6.351 -7.358 1.00 0.00 O ATOM 306 CB ALA A 20 3.563 -7.186 -6.893 1.00 0.00 C ATOM 0 H ALA A 20 3.250 -7.932 -4.617 1.00 0.00 H new ATOM 0 HA ALA A 20 2.409 -5.623 -5.990 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.499 -6.752 -7.891 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.494 -6.873 -6.420 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.542 -8.273 -6.968 1.00 0.00 H new ATOM 312 N LEU A 21 0.692 -8.408 -6.491 1.00 0.00 N ATOM 313 CA LEU A 21 -0.566 -8.958 -6.974 1.00 0.00 C ATOM 314 C LEU A 21 -1.728 -8.206 -6.324 1.00 0.00 C ATOM 315 O LEU A 21 -2.692 -7.850 -7.004 1.00 0.00 O ATOM 316 CB LEU A 21 -0.598 -10.457 -6.662 1.00 0.00 C ATOM 317 CG LEU A 21 -1.792 -11.187 -7.276 1.00 0.00 C ATOM 318 CD1 LEU A 21 -1.558 -12.683 -7.095 1.00 0.00 C ATOM 319 CD2 LEU A 21 -3.099 -10.831 -6.573 1.00 0.00 C ATOM 0 H LEU A 21 1.258 -9.081 -5.975 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.660 -8.835 -8.053 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.322 -10.914 -7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.617 -10.594 -5.581 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.876 -10.899 -8.324 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.394 -13.236 -7.523 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.636 -12.971 -7.600 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.477 -12.913 -6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.922 -11.371 -7.040 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.034 -11.109 -5.521 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.276 -9.759 -6.655 1.00 0.00 H new ATOM 331 N PHE A 22 -1.615 -7.963 -5.014 1.00 0.00 N ATOM 332 CA PHE A 22 -2.574 -7.221 -4.218 1.00 0.00 C ATOM 333 C PHE A 22 -2.724 -5.831 -4.818 1.00 0.00 C ATOM 334 O PHE A 22 -3.819 -5.470 -5.234 1.00 0.00 O ATOM 335 CB PHE A 22 -2.096 -7.157 -2.762 1.00 0.00 C ATOM 336 CG PHE A 22 -2.610 -5.951 -2.007 1.00 0.00 C ATOM 337 CD1 PHE A 22 -3.996 -5.783 -1.853 1.00 0.00 C ATOM 338 CD2 PHE A 22 -1.763 -4.835 -1.897 1.00 0.00 C ATOM 339 CE1 PHE A 22 -4.536 -4.495 -1.695 1.00 0.00 C ATOM 340 CE2 PHE A 22 -2.300 -3.551 -1.698 1.00 0.00 C ATOM 341 CZ PHE A 22 -3.689 -3.382 -1.599 1.00 0.00 C ATOM 0 H PHE A 22 -0.820 -8.294 -4.467 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.546 -7.714 -4.225 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.414 -8.062 -2.244 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.006 -7.147 -2.746 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.647 -6.644 -1.856 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.693 -4.964 -1.966 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.607 -4.362 -1.647 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.644 -2.696 -1.621 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.105 -2.397 -1.449 1.00 0.00 H new ATOM 351 N VAL A 23 -1.626 -5.070 -4.872 1.00 0.00 N ATOM 352 CA VAL A 23 -1.609 -3.730 -5.431 1.00 0.00 C ATOM 353 C VAL A 23 -2.224 -3.776 -6.824 1.00 0.00 C ATOM 354 O VAL A 23 -3.082 -2.962 -7.149 1.00 0.00 O ATOM 355 CB VAL A 23 -0.169 -3.207 -5.425 1.00 0.00 C ATOM 356 CG1 VAL A 23 0.015 -2.026 -6.372 1.00 0.00 C ATOM 357 CG2 VAL A 23 0.199 -2.731 -4.021 1.00 0.00 C ATOM 0 H VAL A 23 -0.718 -5.378 -4.523 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.203 -3.037 -4.836 1.00 0.00 H new ATOM 0 HB VAL A 23 0.469 -4.029 -5.750 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.051 -1.688 -6.335 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.231 -2.333 -7.389 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.643 -1.211 -6.070 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.224 -2.360 -4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.477 -1.931 -3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.113 -3.562 -3.321 1.00 0.00 H new ATOM 367 N GLN A 24 -1.797 -4.744 -7.629 1.00 0.00 N ATOM 368 CA GLN A 24 -2.282 -5.025 -8.959 1.00 0.00 C ATOM 369 C GLN A 24 -3.806 -5.047 -8.991 1.00 0.00 C ATOM 370 O GLN A 24 -4.414 -4.272 -9.719 1.00 0.00 O ATOM 371 CB GLN A 24 -1.689 -6.380 -9.350 1.00 0.00 C ATOM 372 CG GLN A 24 -2.091 -6.863 -10.740 1.00 0.00 C ATOM 373 CD GLN A 24 -3.310 -7.782 -10.756 1.00 0.00 C ATOM 374 OE1 GLN A 24 -3.966 -7.903 -11.785 1.00 0.00 O ATOM 375 NE2 GLN A 24 -3.639 -8.448 -9.650 1.00 0.00 N ATOM 0 H GLN A 24 -1.058 -5.387 -7.345 1.00 0.00 H new ATOM 0 HA GLN A 24 -1.980 -4.252 -9.666 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.602 -6.316 -9.301 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.998 -7.124 -8.616 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.296 -5.996 -11.368 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.248 -7.389 -11.187 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.082 -8.336 -8.803 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.447 -9.070 -9.651 1.00 0.00 H new ATOM 384 N GLU A 25 -4.430 -5.920 -8.204 1.00 0.00 N ATOM 385 CA GLU A 25 -5.871 -6.081 -8.258 1.00 0.00 C ATOM 386 C GLU A 25 -6.610 -4.936 -7.586 1.00 0.00 C ATOM 387 O GLU A 25 -7.614 -4.472 -8.118 1.00 0.00 O ATOM 388 CB GLU A 25 -6.284 -7.452 -7.726 1.00 0.00 C ATOM 389 CG GLU A 25 -5.611 -7.767 -6.391 1.00 0.00 C ATOM 390 CD GLU A 25 -6.329 -8.895 -5.667 1.00 0.00 C ATOM 391 OE1 GLU A 25 -7.579 -8.894 -5.711 1.00 0.00 O ATOM 392 OE2 GLU A 25 -5.613 -9.729 -5.075 1.00 0.00 O ATOM 0 H GLU A 25 -3.960 -6.521 -7.527 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.170 -6.039 -9.305 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.367 -7.484 -7.604 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.023 -8.219 -8.455 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.571 -8.045 -6.561 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.604 -6.875 -5.764 1.00 0.00 H new ATOM 399 N ALA A 26 -6.105 -4.455 -6.450 1.00 0.00 N ATOM 400 CA ALA A 26 -6.623 -3.268 -5.791 1.00 0.00 C ATOM 401 C ALA A 26 -6.725 -2.157 -6.830 1.00 0.00 C ATOM 402 O ALA A 26 -7.735 -1.467 -6.918 1.00 0.00 O ATOM 403 CB ALA A 26 -5.640 -2.846 -4.707 1.00 0.00 C ATOM 0 H ALA A 26 -5.319 -4.885 -5.962 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.600 -3.465 -5.349 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.015 -1.955 -4.203 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.528 -3.653 -3.983 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.672 -2.627 -5.159 1.00 0.00 H new ATOM 409 N ASN A 27 -5.653 -2.023 -7.612 1.00 0.00 N ATOM 410 CA ASN A 27 -5.520 -1.114 -8.732 1.00 0.00 C ATOM 411 C ASN A 27 -6.469 -1.462 -9.862 1.00 0.00 C ATOM 412 O ASN A 27 -6.993 -0.560 -10.508 1.00 0.00 O ATOM 413 CB ASN A 27 -4.117 -1.248 -9.291 1.00 0.00 C ATOM 414 CG ASN A 27 -3.237 -0.125 -8.768 1.00 0.00 C ATOM 415 OD1 ASN A 27 -3.476 1.047 -9.038 1.00 0.00 O ATOM 416 ND2 ASN A 27 -2.239 -0.486 -7.974 1.00 0.00 N ATOM 0 H ASN A 27 -4.812 -2.581 -7.466 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.740 -0.110 -8.370 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.695 -2.213 -9.009 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.147 -1.220 -10.380 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.634 0.223 -7.561 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.076 -1.473 -7.776 1.00 0.00 H new ATOM 423 N ARG A 28 -6.626 -2.761 -10.141 1.00 0.00 N ATOM 424 CA ARG A 28 -7.520 -3.248 -11.188 1.00 0.00 C ATOM 425 C ARG A 28 -8.889 -2.630 -10.994 1.00 0.00 C ATOM 426 O ARG A 28 -9.496 -2.111 -11.927 1.00 0.00 O ATOM 427 CB ARG A 28 -7.685 -4.757 -11.074 1.00 0.00 C ATOM 428 CG ARG A 28 -6.386 -5.500 -11.369 1.00 0.00 C ATOM 429 CD ARG A 28 -6.625 -6.992 -11.148 1.00 0.00 C ATOM 430 NE ARG A 28 -7.643 -7.495 -12.072 1.00 0.00 N ATOM 431 CZ ARG A 28 -7.358 -8.008 -13.276 1.00 0.00 C ATOM 432 NH1 ARG A 28 -6.084 -8.156 -13.657 1.00 0.00 N ATOM 433 NH2 ARG A 28 -8.348 -8.368 -14.097 1.00 0.00 N ATOM 0 H ARG A 28 -6.134 -3.503 -9.644 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.098 -2.985 -12.158 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.026 -5.009 -10.070 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.458 -5.090 -11.767 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.067 -5.315 -12.395 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.588 -5.143 -10.718 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.694 -7.540 -11.292 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.942 -7.166 -10.120 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.621 -7.453 -11.784 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.329 -7.878 -13.030 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.868 -8.547 -14.574 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.319 -8.252 -13.807 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.133 -8.759 -15.014 1.00 0.00 H new ATOM 447 N PHE A 29 -9.371 -2.723 -9.758 1.00 0.00 N ATOM 448 CA PHE A 29 -10.621 -2.109 -9.392 1.00 0.00 C ATOM 449 C PHE A 29 -10.447 -0.598 -9.469 1.00 0.00 C ATOM 450 O PHE A 29 -9.481 -0.047 -8.946 1.00 0.00 O ATOM 451 CB PHE A 29 -11.009 -2.573 -7.993 1.00 0.00 C ATOM 452 CG PHE A 29 -11.197 -4.071 -7.915 1.00 0.00 C ATOM 453 CD1 PHE A 29 -12.228 -4.681 -8.647 1.00 0.00 C ATOM 454 CD2 PHE A 29 -10.276 -4.867 -7.212 1.00 0.00 C ATOM 455 CE1 PHE A 29 -12.340 -6.079 -8.673 1.00 0.00 C ATOM 456 CE2 PHE A 29 -10.423 -6.264 -7.190 1.00 0.00 C ATOM 457 CZ PHE A 29 -11.451 -6.870 -7.932 1.00 0.00 C ATOM 0 H PHE A 29 -8.906 -3.221 -8.999 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.425 -2.398 -10.069 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -10.238 -2.269 -7.285 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.932 -2.077 -7.691 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.936 -4.073 -9.191 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.453 -4.404 -6.688 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.113 -6.547 -9.265 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.748 -6.870 -6.604 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.556 -7.945 -7.931 1.00 0.00 H new ATOM 467 N THR A 30 -11.411 0.082 -10.077 1.00 0.00 N ATOM 468 CA THR A 30 -11.377 1.526 -10.292 1.00 0.00 C ATOM 469 C THR A 30 -11.730 2.271 -9.004 1.00 0.00 C ATOM 470 O THR A 30 -12.596 3.144 -8.986 1.00 0.00 O ATOM 471 CB THR A 30 -12.424 1.864 -11.350 1.00 0.00 C ATOM 472 OG1 THR A 30 -12.314 1.018 -12.471 1.00 0.00 O ATOM 473 CG2 THR A 30 -12.304 3.318 -11.780 1.00 0.00 C ATOM 0 H THR A 30 -12.254 -0.361 -10.442 1.00 0.00 H new ATOM 0 HA THR A 30 -10.377 1.824 -10.607 1.00 0.00 H new ATOM 0 HB THR A 30 -13.405 1.708 -10.901 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.089 1.148 -13.056 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.059 3.538 -12.534 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.454 3.966 -10.917 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.312 3.493 -12.197 1.00 0.00 H new ATOM 481 N SER A 31 -11.055 1.928 -7.918 1.00 0.00 N ATOM 482 CA SER A 31 -11.353 2.375 -6.590 1.00 0.00 C ATOM 483 C SER A 31 -10.164 3.030 -5.918 1.00 0.00 C ATOM 484 O SER A 31 -9.026 2.592 -6.073 1.00 0.00 O ATOM 485 CB SER A 31 -11.773 1.136 -5.795 1.00 0.00 C ATOM 486 OG SER A 31 -12.805 0.438 -6.474 1.00 0.00 O ATOM 0 H SER A 31 -10.251 1.302 -7.953 1.00 0.00 H new ATOM 0 HA SER A 31 -12.139 3.129 -6.629 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.915 0.480 -5.652 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.117 1.432 -4.804 1.00 0.00 H new ATOM 0 HG SER A 31 -12.423 -0.056 -7.229 1.00 0.00 H new ATOM 492 N ASP A 32 -10.445 4.070 -5.137 1.00 0.00 N ATOM 493 CA ASP A 32 -9.456 4.668 -4.268 1.00 0.00 C ATOM 494 C ASP A 32 -9.248 3.643 -3.164 1.00 0.00 C ATOM 495 O ASP A 32 -10.017 3.568 -2.209 1.00 0.00 O ATOM 496 CB ASP A 32 -10.000 5.990 -3.749 1.00 0.00 C ATOM 497 CG ASP A 32 -8.966 6.836 -3.026 1.00 0.00 C ATOM 498 OD1 ASP A 32 -7.777 6.447 -3.035 1.00 0.00 O ATOM 499 OD2 ASP A 32 -9.394 7.877 -2.482 1.00 0.00 O ATOM 0 H ASP A 32 -11.362 4.514 -5.094 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.509 4.897 -4.756 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.402 6.561 -4.586 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.830 5.790 -3.072 1.00 0.00 H new ATOM 504 N VAL A 33 -8.309 2.745 -3.414 1.00 0.00 N ATOM 505 CA VAL A 33 -8.038 1.605 -2.570 1.00 0.00 C ATOM 506 C VAL A 33 -7.169 2.011 -1.390 1.00 0.00 C ATOM 507 O VAL A 33 -6.283 2.855 -1.509 1.00 0.00 O ATOM 508 CB VAL A 33 -7.474 0.494 -3.454 1.00 0.00 C ATOM 509 CG1 VAL A 33 -7.152 -0.753 -2.640 1.00 0.00 C ATOM 510 CG2 VAL A 33 -8.574 0.165 -4.464 1.00 0.00 C ATOM 0 H VAL A 33 -7.702 2.795 -4.232 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.942 1.210 -2.105 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.549 0.817 -3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.753 -1.524 -3.299 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.413 -0.509 -1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.060 -1.119 -2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.232 -0.627 -5.130 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.467 -0.167 -3.934 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.809 1.054 -5.049 1.00 0.00 H new ATOM 520 N PHE A 34 -7.421 1.403 -0.236 1.00 0.00 N ATOM 521 CA PHE A 34 -6.757 1.801 0.989 1.00 0.00 C ATOM 522 C PHE A 34 -6.254 0.645 1.835 1.00 0.00 C ATOM 523 O PHE A 34 -6.658 -0.501 1.661 1.00 0.00 O ATOM 524 CB PHE A 34 -7.703 2.671 1.809 1.00 0.00 C ATOM 525 CG PHE A 34 -8.007 3.996 1.162 1.00 0.00 C ATOM 526 CD1 PHE A 34 -6.959 4.903 0.942 1.00 0.00 C ATOM 527 CD2 PHE A 34 -9.310 4.309 0.746 1.00 0.00 C ATOM 528 CE1 PHE A 34 -7.223 6.161 0.375 1.00 0.00 C ATOM 529 CE2 PHE A 34 -9.573 5.559 0.164 1.00 0.00 C ATOM 530 CZ PHE A 34 -8.535 6.490 -0.004 1.00 0.00 C ATOM 0 H PHE A 34 -8.081 0.633 -0.128 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.867 2.355 0.692 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.636 2.130 1.969 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.264 2.847 2.791 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.948 4.633 1.209 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.107 3.591 0.873 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.422 6.871 0.231 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.575 5.805 -0.155 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.746 7.462 -0.426 1.00 0.00 H new ATOM 540 N LEU A 35 -5.345 0.971 2.746 1.00 0.00 N ATOM 541 CA LEU A 35 -4.779 0.043 3.701 1.00 0.00 C ATOM 542 C LEU A 35 -4.530 0.822 4.963 1.00 0.00 C ATOM 543 O LEU A 35 -3.627 1.643 5.044 1.00 0.00 O ATOM 544 CB LEU A 35 -3.497 -0.579 3.184 1.00 0.00 C ATOM 545 CG LEU A 35 -3.892 -1.829 2.416 1.00 0.00 C ATOM 546 CD1 LEU A 35 -2.696 -2.319 1.605 1.00 0.00 C ATOM 547 CD2 LEU A 35 -4.336 -2.912 3.396 1.00 0.00 C ATOM 0 H LEU A 35 -4.975 1.917 2.838 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.465 -0.785 3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.962 0.118 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.828 -0.827 4.008 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.717 -1.601 1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.974 -3.216 1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.388 -1.542 0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.870 -2.549 2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.619 -3.808 2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.516 -3.147 4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.191 -2.555 3.971 1.00 0.00 H new ATOM 559 N GLU A 36 -5.416 0.589 5.907 1.00 0.00 N ATOM 560 CA GLU A 36 -5.492 1.256 7.187 1.00 0.00 C ATOM 561 C GLU A 36 -4.737 0.400 8.196 1.00 0.00 C ATOM 562 O GLU A 36 -5.364 -0.391 8.899 1.00 0.00 O ATOM 563 CB GLU A 36 -6.951 1.267 7.599 1.00 0.00 C ATOM 564 CG GLU A 36 -7.955 1.923 6.664 1.00 0.00 C ATOM 565 CD GLU A 36 -9.359 1.692 7.206 1.00 0.00 C ATOM 566 OE1 GLU A 36 -9.474 1.578 8.446 1.00 0.00 O ATOM 567 OE2 GLU A 36 -10.287 1.569 6.383 1.00 0.00 O ATOM 0 H GLU A 36 -6.146 -0.114 5.793 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.081 2.264 7.139 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.262 0.233 7.750 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.021 1.766 8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.753 2.991 6.584 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.865 1.505 5.661 1.00 0.00 H new ATOM 574 N LYS A 37 -3.418 0.530 8.295 1.00 0.00 N ATOM 575 CA LYS A 37 -2.625 -0.290 9.176 1.00 0.00 C ATOM 576 C LYS A 37 -2.985 0.026 10.616 1.00 0.00 C ATOM 577 O LYS A 37 -2.539 1.037 11.153 1.00 0.00 O ATOM 578 CB LYS A 37 -1.156 -0.038 8.876 1.00 0.00 C ATOM 579 CG LYS A 37 -0.373 -0.971 9.780 1.00 0.00 C ATOM 580 CD LYS A 37 1.125 -0.850 9.532 1.00 0.00 C ATOM 581 CE LYS A 37 1.889 -1.671 10.570 1.00 0.00 C ATOM 582 NZ LYS A 37 1.731 -1.111 11.924 1.00 0.00 N ATOM 0 H LYS A 37 -2.877 1.211 7.762 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.826 -1.350 9.018 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.934 -0.235 7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.892 1.002 9.068 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.591 -0.740 10.823 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.691 -1.999 9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.366 -1.200 8.528 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.429 0.195 9.586 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.531 -2.700 10.557 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.947 -1.698 10.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.667 -0.897 12.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.168 -0.238 11.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.246 -1.802 12.531 1.00 0.00 H new ATOM 596 N ASP A 38 -3.830 -0.804 11.232 1.00 0.00 N ATOM 597 CA ASP A 38 -4.376 -0.525 12.550 1.00 0.00 C ATOM 598 C ASP A 38 -5.119 0.807 12.509 1.00 0.00 C ATOM 599 O ASP A 38 -5.165 1.523 13.506 1.00 0.00 O ATOM 600 CB ASP A 38 -3.266 -0.433 13.593 1.00 0.00 C ATOM 601 CG ASP A 38 -2.382 -1.669 13.629 1.00 0.00 C ATOM 602 OD1 ASP A 38 -2.936 -2.775 13.817 1.00 0.00 O ATOM 603 OD2 ASP A 38 -1.161 -1.480 13.439 1.00 0.00 O ATOM 0 H ASP A 38 -4.150 -1.684 10.828 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.050 -1.336 12.824 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.650 0.442 13.384 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.711 -0.282 14.577 1.00 0.00 H new ATOM 608 N GLY A 39 -5.673 1.169 11.349 1.00 0.00 N ATOM 609 CA GLY A 39 -6.318 2.459 11.223 1.00 0.00 C ATOM 610 C GLY A 39 -5.472 3.437 10.403 1.00 0.00 C ATOM 611 O GLY A 39 -5.999 4.418 9.883 1.00 0.00 O ATOM 0 H GLY A 39 -5.684 0.595 10.506 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.292 2.334 10.749 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.497 2.875 12.215 1.00 0.00 H new ATOM 615 N LYS A 40 -4.172 3.169 10.238 1.00 0.00 N ATOM 616 CA LYS A 40 -3.267 4.011 9.479 1.00 0.00 C ATOM 617 C LYS A 40 -3.497 3.746 8.003 1.00 0.00 C ATOM 618 O LYS A 40 -2.697 3.078 7.355 1.00 0.00 O ATOM 619 CB LYS A 40 -1.843 3.615 9.835 1.00 0.00 C ATOM 620 CG LYS A 40 -1.533 3.881 11.303 1.00 0.00 C ATOM 621 CD LYS A 40 -0.134 3.335 11.572 1.00 0.00 C ATOM 622 CE LYS A 40 0.801 3.864 10.488 1.00 0.00 C ATOM 623 NZ LYS A 40 2.161 3.322 10.638 1.00 0.00 N ATOM 0 H LYS A 40 -3.721 2.346 10.638 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.434 5.065 9.703 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.695 2.557 9.618 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.144 4.170 9.209 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.578 4.948 11.519 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.267 3.395 11.946 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.212 3.646 12.558 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.144 2.245 11.567 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.409 3.599 9.506 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.835 4.952 10.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.771 3.701 9.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.544 3.596 11.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.131 2.285 10.569 1.00 0.00 H new ATOM 637 N LYS A 41 -4.629 4.210 7.494 1.00 0.00 N ATOM 638 CA LYS A 41 -5.042 3.930 6.137 1.00 0.00 C ATOM 639 C LYS A 41 -4.316 4.819 5.127 1.00 0.00 C ATOM 640 O LYS A 41 -4.232 6.036 5.280 1.00 0.00 O ATOM 641 CB LYS A 41 -6.524 4.188 6.067 1.00 0.00 C ATOM 642 CG LYS A 41 -7.156 3.788 4.742 1.00 0.00 C ATOM 643 CD LYS A 41 -8.362 4.692 4.537 1.00 0.00 C ATOM 644 CE LYS A 41 -7.846 5.882 3.756 1.00 0.00 C ATOM 645 NZ LYS A 41 -8.955 6.736 3.303 1.00 0.00 N ATOM 0 H LYS A 41 -5.284 4.792 8.016 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.798 2.898 5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.016 3.643 6.873 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.707 5.248 6.241 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.444 3.902 3.924 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.457 2.740 4.758 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.151 4.176 3.990 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.786 5.003 5.492 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.166 6.463 4.379 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.273 5.536 2.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.806 7.000 2.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.852 6.217 3.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.992 7.595 3.887 1.00 0.00 H new ATOM 659 N VAL A 42 -3.845 4.180 4.065 1.00 0.00 N ATOM 660 CA VAL A 42 -3.129 4.750 2.934 1.00 0.00 C ATOM 661 C VAL A 42 -3.759 4.243 1.648 1.00 0.00 C ATOM 662 O VAL A 42 -4.631 3.379 1.688 1.00 0.00 O ATOM 663 CB VAL A 42 -1.676 4.277 3.011 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.702 2.753 3.145 1.00 0.00 C ATOM 665 CG2 VAL A 42 -0.811 4.685 1.820 1.00 0.00 C ATOM 0 H VAL A 42 -3.963 3.172 3.965 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.174 5.839 2.954 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.213 4.763 3.870 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.681 2.375 3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.243 2.476 4.050 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.200 2.320 2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.202 4.307 1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.231 4.267 0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.786 5.772 1.744 1.00 0.00 H new ATOM 675 N ASN A 43 -3.333 4.767 0.502 1.00 0.00 N ATOM 676 CA ASN A 43 -3.793 4.253 -0.771 1.00 0.00 C ATOM 677 C ASN A 43 -3.118 2.916 -1.019 1.00 0.00 C ATOM 678 O ASN A 43 -1.974 2.842 -1.462 1.00 0.00 O ATOM 679 CB ASN A 43 -3.508 5.225 -1.905 1.00 0.00 C ATOM 680 CG ASN A 43 -4.150 4.695 -3.178 1.00 0.00 C ATOM 681 OD1 ASN A 43 -3.596 3.833 -3.853 1.00 0.00 O ATOM 682 ND2 ASN A 43 -5.333 5.188 -3.514 1.00 0.00 N ATOM 0 H ASN A 43 -2.674 5.543 0.435 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.875 4.124 -0.737 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.904 6.212 -1.665 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.433 5.338 -2.044 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.806 4.851 -4.352 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.770 5.904 -2.934 1.00 0.00 H new ATOM 689 N ALA A 44 -3.884 1.872 -0.737 1.00 0.00 N ATOM 690 CA ALA A 44 -3.520 0.473 -0.794 1.00 0.00 C ATOM 691 C ALA A 44 -2.809 0.094 -2.086 1.00 0.00 C ATOM 692 O ALA A 44 -1.841 -0.662 -2.071 1.00 0.00 O ATOM 693 CB ALA A 44 -4.817 -0.323 -0.725 1.00 0.00 C ATOM 0 H ALA A 44 -4.852 1.997 -0.439 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.836 0.263 0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.592 -1.389 -0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.334 -0.096 0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.454 -0.055 -1.568 1.00 0.00 H new ATOM 699 N LYS A 45 -3.311 0.604 -3.208 1.00 0.00 N ATOM 700 CA LYS A 45 -2.773 0.251 -4.508 1.00 0.00 C ATOM 701 C LYS A 45 -1.533 1.066 -4.883 1.00 0.00 C ATOM 702 O LYS A 45 -0.891 0.772 -5.890 1.00 0.00 O ATOM 703 CB LYS A 45 -3.872 0.394 -5.560 1.00 0.00 C ATOM 704 CG LYS A 45 -4.503 1.784 -5.499 1.00 0.00 C ATOM 705 CD LYS A 45 -5.185 2.104 -6.828 1.00 0.00 C ATOM 706 CE LYS A 45 -6.485 1.311 -6.981 1.00 0.00 C ATOM 707 NZ LYS A 45 -7.134 1.587 -8.274 1.00 0.00 N ATOM 0 H LYS A 45 -4.089 1.263 -3.237 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.439 -0.786 -4.464 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.456 0.222 -6.553 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.637 -0.365 -5.399 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.230 1.828 -4.688 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.739 2.531 -5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.397 3.172 -6.884 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.512 1.869 -7.652 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.274 0.245 -6.898 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.166 1.565 -6.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.936 0.938 -8.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.478 2.568 -8.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.448 1.450 -9.043 1.00 0.00 H new ATOM 721 N SER A 46 -1.201 2.104 -4.118 1.00 0.00 N ATOM 722 CA SER A 46 -0.043 2.916 -4.429 1.00 0.00 C ATOM 723 C SER A 46 1.161 2.578 -3.557 1.00 0.00 C ATOM 724 O SER A 46 1.048 1.890 -2.543 1.00 0.00 O ATOM 725 CB SER A 46 -0.404 4.391 -4.275 1.00 0.00 C ATOM 726 OG SER A 46 -1.420 4.720 -5.196 1.00 0.00 O ATOM 0 H SER A 46 -1.717 2.395 -3.287 1.00 0.00 H new ATOM 0 HA SER A 46 0.243 2.703 -5.459 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.741 4.591 -3.258 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.475 5.012 -4.448 1.00 0.00 H new ATOM 0 HG SER A 46 -2.288 4.434 -4.842 1.00 0.00 H new ATOM 732 N ILE A 47 2.309 3.124 -3.965 1.00 0.00 N ATOM 733 CA ILE A 47 3.606 3.063 -3.296 1.00 0.00 C ATOM 734 C ILE A 47 3.481 3.029 -1.778 1.00 0.00 C ATOM 735 O ILE A 47 3.914 2.073 -1.151 1.00 0.00 O ATOM 736 CB ILE A 47 4.464 4.258 -3.745 1.00 0.00 C ATOM 737 CG1 ILE A 47 5.730 4.434 -2.892 1.00 0.00 C ATOM 738 CG2 ILE A 47 3.664 5.564 -3.739 1.00 0.00 C ATOM 739 CD1 ILE A 47 5.474 5.340 -1.686 1.00 0.00 C ATOM 0 H ILE A 47 2.358 3.657 -4.833 1.00 0.00 H new ATOM 0 HA ILE A 47 4.089 2.130 -3.585 1.00 0.00 H new ATOM 0 HB ILE A 47 4.771 4.030 -4.766 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.077 3.459 -2.549 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.526 4.858 -3.504 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.305 6.385 -4.062 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.817 5.475 -4.420 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.300 5.763 -2.731 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.391 5.442 -1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.152 6.323 -2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.696 4.902 -1.061 1.00 0.00 H new ATOM 751 N MET A 48 2.892 4.066 -1.184 1.00 0.00 N ATOM 752 CA MET A 48 2.791 4.160 0.261 1.00 0.00 C ATOM 753 C MET A 48 1.845 3.109 0.839 1.00 0.00 C ATOM 754 O MET A 48 2.030 2.679 1.978 1.00 0.00 O ATOM 755 CB MET A 48 2.378 5.578 0.647 1.00 0.00 C ATOM 756 CG MET A 48 2.383 5.708 2.169 1.00 0.00 C ATOM 757 SD MET A 48 2.011 7.359 2.801 1.00 0.00 S ATOM 758 CE MET A 48 0.444 7.645 1.955 1.00 0.00 C ATOM 0 H MET A 48 2.479 4.851 -1.687 1.00 0.00 H new ATOM 0 HA MET A 48 3.769 3.950 0.695 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.064 6.302 0.206 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.385 5.800 0.255 1.00 0.00 H new ATOM 0 HG2 MET A 48 1.657 5.007 2.580 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.362 5.406 2.540 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.368 8.696 1.676 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.397 7.027 1.058 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.381 7.385 2.619 1.00 0.00 H new ATOM 768 N GLY A 49 0.836 2.697 0.069 1.00 0.00 N ATOM 769 CA GLY A 49 -0.083 1.665 0.494 1.00 0.00 C ATOM 770 C GLY A 49 0.727 0.395 0.679 1.00 0.00 C ATOM 771 O GLY A 49 0.748 -0.150 1.779 1.00 0.00 O ATOM 0 H GLY A 49 0.642 3.073 -0.859 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.575 1.947 1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.867 1.517 -0.249 1.00 0.00 H new ATOM 775 N LEU A 50 1.428 -0.024 -0.382 1.00 0.00 N ATOM 776 CA LEU A 50 2.327 -1.160 -0.366 1.00 0.00 C ATOM 777 C LEU A 50 3.399 -0.970 0.694 1.00 0.00 C ATOM 778 O LEU A 50 3.348 -1.554 1.766 1.00 0.00 O ATOM 779 CB LEU A 50 3.056 -1.224 -1.709 1.00 0.00 C ATOM 780 CG LEU A 50 2.756 -2.499 -2.493 1.00 0.00 C ATOM 781 CD1 LEU A 50 3.369 -2.439 -3.887 1.00 0.00 C ATOM 782 CD2 LEU A 50 3.383 -3.690 -1.777 1.00 0.00 C ATOM 0 H LEU A 50 1.377 0.435 -1.291 1.00 0.00 H new ATOM 0 HA LEU A 50 1.744 -2.060 -0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.774 -0.360 -2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.130 -1.155 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 50 1.673 -2.599 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.141 -3.359 -4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.955 -1.589 -4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.450 -2.326 -3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.171 -4.602 -2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.462 -3.548 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.965 -3.772 -0.773 1.00 0.00 H new ATOM 794 N MET A 51 4.371 -0.130 0.354 1.00 0.00 N ATOM 795 CA MET A 51 5.595 0.128 1.076 1.00 0.00 C ATOM 796 C MET A 51 5.380 0.447 2.549 1.00 0.00 C ATOM 797 O MET A 51 6.131 -0.028 3.394 1.00 0.00 O ATOM 798 CB MET A 51 6.316 1.280 0.371 1.00 0.00 C ATOM 799 CG MET A 51 6.737 0.859 -1.037 1.00 0.00 C ATOM 800 SD MET A 51 7.744 2.055 -1.942 1.00 0.00 S ATOM 801 CE MET A 51 7.803 3.390 -0.732 1.00 0.00 C ATOM 0 H MET A 51 4.311 0.426 -0.499 1.00 0.00 H new ATOM 0 HA MET A 51 6.196 -0.781 1.068 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.661 2.150 0.317 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.193 1.576 0.947 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.292 -0.076 -0.966 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.839 0.653 -1.619 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.184 4.294 -1.206 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.800 3.577 -0.347 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.460 3.107 0.090 1.00 0.00 H new ATOM 811 N SER A 52 4.405 1.299 2.857 1.00 0.00 N ATOM 812 CA SER A 52 4.217 1.714 4.234 1.00 0.00 C ATOM 813 C SER A 52 3.394 0.752 5.083 1.00 0.00 C ATOM 814 O SER A 52 3.910 0.064 5.956 1.00 0.00 O ATOM 815 CB SER A 52 3.588 3.098 4.263 1.00 0.00 C ATOM 816 OG SER A 52 4.389 4.017 3.543 1.00 0.00 O ATOM 0 H SER A 52 3.751 1.704 2.187 1.00 0.00 H new ATOM 0 HA SER A 52 5.210 1.722 4.684 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.588 3.060 3.830 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.476 3.433 5.294 1.00 0.00 H new ATOM 0 HG SER A 52 4.545 4.814 4.091 1.00 0.00 H new ATOM 822 N LEU A 53 2.080 0.775 4.863 1.00 0.00 N ATOM 823 CA LEU A 53 1.132 0.078 5.714 1.00 0.00 C ATOM 824 C LEU A 53 1.066 -1.403 5.390 1.00 0.00 C ATOM 825 O LEU A 53 1.143 -2.250 6.279 1.00 0.00 O ATOM 826 CB LEU A 53 -0.232 0.731 5.568 1.00 0.00 C ATOM 827 CG LEU A 53 -0.200 2.139 6.168 1.00 0.00 C ATOM 828 CD1 LEU A 53 0.581 2.156 7.481 1.00 0.00 C ATOM 829 CD2 LEU A 53 0.431 3.160 5.224 1.00 0.00 C ATOM 0 H LEU A 53 1.648 1.279 4.088 1.00 0.00 H new ATOM 0 HA LEU A 53 1.465 0.154 6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.511 0.781 4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.989 0.129 6.070 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.240 2.415 6.342 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.589 3.168 7.887 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.107 1.482 8.195 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.605 1.830 7.299 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.429 4.142 5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.457 2.865 5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.142 3.202 4.298 1.00 0.00 H new ATOM 841 N ALA A 54 0.900 -1.697 4.102 1.00 0.00 N ATOM 842 CA ALA A 54 0.825 -3.044 3.585 1.00 0.00 C ATOM 843 C ALA A 54 2.082 -3.823 3.936 1.00 0.00 C ATOM 844 O ALA A 54 1.998 -4.996 4.289 1.00 0.00 O ATOM 845 CB ALA A 54 0.637 -2.955 2.083 1.00 0.00 C ATOM 0 H ALA A 54 0.813 -0.982 3.380 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.015 -3.576 4.032 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.577 -3.959 1.664 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.283 -2.414 1.863 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.482 -2.427 1.641 1.00 0.00 H new ATOM 851 N VAL A 55 3.245 -3.176 3.865 1.00 0.00 N ATOM 852 CA VAL A 55 4.521 -3.773 4.226 1.00 0.00 C ATOM 853 C VAL A 55 4.639 -3.807 5.746 1.00 0.00 C ATOM 854 O VAL A 55 5.474 -3.155 6.368 1.00 0.00 O ATOM 855 CB VAL A 55 5.684 -3.046 3.539 1.00 0.00 C ATOM 856 CG1 VAL A 55 7.029 -3.623 3.973 1.00 0.00 C ATOM 857 CG2 VAL A 55 5.605 -3.242 2.032 1.00 0.00 C ATOM 0 H VAL A 55 3.323 -2.209 3.550 1.00 0.00 H new ATOM 0 HA VAL A 55 4.571 -4.801 3.867 1.00 0.00 H new ATOM 0 HB VAL A 55 5.608 -1.994 3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.834 -3.088 3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.140 -3.515 5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.074 -4.679 3.708 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.435 -2.722 1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.661 -4.306 1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.662 -2.839 1.662 1.00 0.00 H new ATOM 867 N SER A 56 3.748 -4.581 6.351 1.00 0.00 N ATOM 868 CA SER A 56 3.665 -4.786 7.773 1.00 0.00 C ATOM 869 C SER A 56 2.956 -6.105 8.039 1.00 0.00 C ATOM 870 O SER A 56 1.862 -6.131 8.606 1.00 0.00 O ATOM 871 CB SER A 56 2.945 -3.593 8.397 1.00 0.00 C ATOM 872 OG SER A 56 3.870 -2.536 8.573 1.00 0.00 O ATOM 0 H SER A 56 3.038 -5.100 5.834 1.00 0.00 H new ATOM 0 HA SER A 56 4.654 -4.850 8.227 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.124 -3.272 7.756 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.510 -3.876 9.355 1.00 0.00 H new ATOM 0 HG SER A 56 4.541 -2.566 7.859 1.00 0.00 H new ATOM 878 N THR A 57 3.576 -7.204 7.606 1.00 0.00 N ATOM 879 CA THR A 57 3.084 -8.547 7.839 1.00 0.00 C ATOM 880 C THR A 57 2.567 -8.740 9.259 1.00 0.00 C ATOM 881 O THR A 57 3.243 -8.413 10.233 1.00 0.00 O ATOM 882 CB THR A 57 4.192 -9.553 7.563 1.00 0.00 C ATOM 883 OG1 THR A 57 4.971 -9.120 6.472 1.00 0.00 O ATOM 884 CG2 THR A 57 3.561 -10.905 7.244 1.00 0.00 C ATOM 0 H THR A 57 4.447 -7.177 7.076 1.00 0.00 H new ATOM 0 HA THR A 57 2.246 -8.707 7.160 1.00 0.00 H new ATOM 0 HB THR A 57 4.835 -9.643 8.439 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.683 -9.771 6.300 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.346 -11.635 7.044 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.964 -11.237 8.093 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.922 -10.810 6.366 1.00 0.00 H new ATOM 892 N GLY A 58 1.344 -9.248 9.372 1.00 0.00 N ATOM 893 CA GLY A 58 0.737 -9.485 10.667 1.00 0.00 C ATOM 894 C GLY A 58 0.005 -8.262 11.220 1.00 0.00 C ATOM 895 O GLY A 58 -0.682 -8.384 12.229 1.00 0.00 O ATOM 0 H GLY A 58 0.757 -9.502 8.578 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.035 -10.315 10.586 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.510 -9.789 11.373 1.00 0.00 H new ATOM 899 N THR A 59 0.090 -7.093 10.579 1.00 0.00 N ATOM 900 CA THR A 59 -0.608 -5.936 11.111 1.00 0.00 C ATOM 901 C THR A 59 -2.053 -6.012 10.661 1.00 0.00 C ATOM 902 O THR A 59 -2.307 -6.297 9.491 1.00 0.00 O ATOM 903 CB THR A 59 0.012 -4.628 10.617 1.00 0.00 C ATOM 904 OG1 THR A 59 1.414 -4.635 10.771 1.00 0.00 O ATOM 905 CG2 THR A 59 -0.548 -3.480 11.445 1.00 0.00 C ATOM 0 H THR A 59 0.618 -6.931 9.721 1.00 0.00 H new ATOM 0 HA THR A 59 -0.534 -5.945 12.198 1.00 0.00 H new ATOM 0 HB THR A 59 -0.227 -4.513 9.560 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.808 -5.282 10.149 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.114 -2.540 11.104 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.631 -3.443 11.330 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.300 -3.634 12.495 1.00 0.00 H new ATOM 913 N GLU A 60 -2.999 -5.767 11.564 1.00 0.00 N ATOM 914 CA GLU A 60 -4.388 -5.777 11.168 1.00 0.00 C ATOM 915 C GLU A 60 -4.692 -4.432 10.518 1.00 0.00 C ATOM 916 O GLU A 60 -4.977 -3.425 11.167 1.00 0.00 O ATOM 917 CB GLU A 60 -5.290 -6.146 12.340 1.00 0.00 C ATOM 918 CG GLU A 60 -5.298 -5.059 13.418 1.00 0.00 C ATOM 919 CD GLU A 60 -6.396 -5.311 14.437 1.00 0.00 C ATOM 920 OE1 GLU A 60 -7.525 -5.606 13.989 1.00 0.00 O ATOM 921 OE2 GLU A 60 -6.083 -5.209 15.643 1.00 0.00 O ATOM 0 H GLU A 60 -2.828 -5.565 12.549 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.592 -6.552 10.429 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.306 -6.307 11.980 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.953 -7.087 12.775 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.331 -5.032 13.920 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.444 -4.083 12.955 1.00 0.00 H new ATOM 928 N VAL A 61 -4.552 -4.402 9.205 1.00 0.00 N ATOM 929 CA VAL A 61 -4.734 -3.197 8.445 1.00 0.00 C ATOM 930 C VAL A 61 -5.953 -3.365 7.545 1.00 0.00 C ATOM 931 O VAL A 61 -6.182 -4.426 6.964 1.00 0.00 O ATOM 932 CB VAL A 61 -3.433 -2.886 7.705 1.00 0.00 C ATOM 933 CG1 VAL A 61 -2.237 -3.050 8.641 1.00 0.00 C ATOM 934 CG2 VAL A 61 -3.197 -3.905 6.608 1.00 0.00 C ATOM 0 H VAL A 61 -4.309 -5.218 8.643 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.940 -2.333 9.077 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.523 -1.870 7.320 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.318 -2.825 8.100 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.338 -2.366 9.484 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.200 -4.076 9.008 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.267 -3.672 6.089 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.129 -4.901 7.045 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.025 -3.876 5.900 1.00 0.00 H new ATOM 944 N THR A 62 -6.772 -2.327 7.466 1.00 0.00 N ATOM 945 CA THR A 62 -8.015 -2.373 6.731 1.00 0.00 C ATOM 946 C THR A 62 -7.816 -2.105 5.246 1.00 0.00 C ATOM 947 O THR A 62 -7.378 -1.021 4.869 1.00 0.00 O ATOM 948 CB THR A 62 -8.937 -1.307 7.292 1.00 0.00 C ATOM 949 OG1 THR A 62 -8.761 -1.153 8.686 1.00 0.00 O ATOM 950 CG2 THR A 62 -10.366 -1.726 6.992 1.00 0.00 C ATOM 0 H THR A 62 -6.588 -1.429 7.913 1.00 0.00 H new ATOM 0 HA THR A 62 -8.436 -3.373 6.838 1.00 0.00 H new ATOM 0 HB THR A 62 -8.707 -0.347 6.830 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.934 -0.222 8.937 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.055 -0.978 7.384 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.501 -1.814 5.914 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.569 -2.688 7.462 1.00 0.00 H new ATOM 958 N LEU A 63 -8.167 -3.058 4.394 1.00 0.00 N ATOM 959 CA LEU A 63 -8.058 -2.861 2.968 1.00 0.00 C ATOM 960 C LEU A 63 -9.382 -2.355 2.406 1.00 0.00 C ATOM 961 O LEU A 63 -10.417 -3.007 2.530 1.00 0.00 O ATOM 962 CB LEU A 63 -7.591 -4.150 2.322 1.00 0.00 C ATOM 963 CG LEU A 63 -6.564 -3.770 1.271 1.00 0.00 C ATOM 964 CD1 LEU A 63 -5.836 -5.046 0.896 1.00 0.00 C ATOM 965 CD2 LEU A 63 -7.225 -3.141 0.048 1.00 0.00 C ATOM 0 H LEU A 63 -8.528 -3.971 4.671 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.315 -2.096 2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.155 -4.818 3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.429 -4.681 1.869 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.873 -3.024 1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.083 -4.826 0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.352 -5.462 1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.549 -5.769 0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.461 -2.881 -0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.924 -3.851 -0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.762 -2.241 0.347 1.00 0.00 H new ATOM 977 N ILE A 64 -9.337 -1.165 1.817 1.00 0.00 N ATOM 978 CA ILE A 64 -10.478 -0.451 1.280 1.00 0.00 C ATOM 979 C ILE A 64 -10.443 -0.393 -0.237 1.00 0.00 C ATOM 980 O ILE A 64 -9.381 -0.476 -0.847 1.00 0.00 O ATOM 981 CB ILE A 64 -10.397 0.999 1.766 1.00 0.00 C ATOM 982 CG1 ILE A 64 -10.387 1.080 3.284 1.00 0.00 C ATOM 983 CG2 ILE A 64 -11.555 1.846 1.248 1.00 0.00 C ATOM 984 CD1 ILE A 64 -10.220 2.525 3.727 1.00 0.00 C ATOM 0 H ILE A 64 -8.463 -0.653 1.698 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.382 -0.966 1.606 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.461 1.392 1.369 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -11.316 0.673 3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.575 0.472 3.683 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.454 2.866 1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.541 1.853 0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.498 1.425 1.596 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -10.214 2.573 4.816 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.279 2.917 3.341 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -11.047 3.122 3.342 1.00 0.00 H new ATOM 996 N ALA A 65 -11.605 -0.167 -0.837 1.00 0.00 N ATOM 997 CA ALA A 65 -11.695 0.192 -2.227 1.00 0.00 C ATOM 998 C ALA A 65 -12.847 1.157 -2.311 1.00 0.00 C ATOM 999 O ALA A 65 -13.981 0.833 -1.970 1.00 0.00 O ATOM 1000 CB ALA A 65 -11.887 -1.000 -3.150 1.00 0.00 C ATOM 0 H ALA A 65 -12.506 -0.230 -0.364 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.760 0.635 -2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.947 -0.655 -4.182 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.044 -1.682 -3.044 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.809 -1.519 -2.887 1.00 0.00 H new ATOM 1006 N GLN A 66 -12.520 2.372 -2.709 1.00 0.00 N ATOM 1007 CA GLN A 66 -13.497 3.413 -2.810 1.00 0.00 C ATOM 1008 C GLN A 66 -13.525 3.889 -4.247 1.00 0.00 C ATOM 1009 O GLN A 66 -13.077 4.992 -4.564 1.00 0.00 O ATOM 1010 CB GLN A 66 -13.051 4.497 -1.851 1.00 0.00 C ATOM 1011 CG GLN A 66 -14.089 5.593 -1.837 1.00 0.00 C ATOM 1012 CD GLN A 66 -13.371 6.922 -1.775 1.00 0.00 C ATOM 1013 OE1 GLN A 66 -13.380 7.591 -0.748 1.00 0.00 O ATOM 1014 NE2 GLN A 66 -12.688 7.262 -2.862 1.00 0.00 N ATOM 0 H GLN A 66 -11.574 2.653 -2.967 1.00 0.00 H new ATOM 0 HA GLN A 66 -14.507 3.094 -2.552 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -12.923 4.086 -0.850 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -12.084 4.897 -2.157 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.712 5.538 -2.730 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.752 5.478 -0.979 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.717 6.666 -3.690 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.134 8.119 -2.869 1.00 0.00 H new ATOM 1023 N GLY A 67 -13.988 3.008 -5.123 1.00 0.00 N ATOM 1024 CA GLY A 67 -14.035 3.256 -6.542 1.00 0.00 C ATOM 1025 C GLY A 67 -15.214 2.542 -7.172 1.00 0.00 C ATOM 1026 O GLY A 67 -16.105 2.053 -6.478 1.00 0.00 O ATOM 0 H GLY A 67 -14.345 2.090 -4.856 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.112 4.328 -6.727 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.108 2.918 -7.006 1.00 0.00 H new ATOM 1030 N GLU A 68 -15.168 2.441 -8.498 1.00 0.00 N ATOM 1031 CA GLU A 68 -16.144 1.733 -9.297 1.00 0.00 C ATOM 1032 C GLU A 68 -16.345 0.316 -8.776 1.00 0.00 C ATOM 1033 O GLU A 68 -17.469 -0.176 -8.743 1.00 0.00 O ATOM 1034 CB GLU A 68 -15.652 1.659 -10.742 1.00 0.00 C ATOM 1035 CG GLU A 68 -15.483 3.054 -11.343 1.00 0.00 C ATOM 1036 CD GLU A 68 -15.333 2.998 -12.858 1.00 0.00 C ATOM 1037 OE1 GLU A 68 -14.670 2.050 -13.333 1.00 0.00 O ATOM 1038 OE2 GLU A 68 -15.877 3.913 -13.511 1.00 0.00 O ATOM 0 H GLU A 68 -14.426 2.865 -9.055 1.00 0.00 H new ATOM 0 HA GLU A 68 -17.091 2.269 -9.241 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.701 1.128 -10.778 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -16.360 1.086 -11.341 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -16.345 3.669 -11.085 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -14.607 3.535 -10.908 1.00 0.00 H new ATOM 1045 N ASP A 69 -15.262 -0.364 -8.393 1.00 0.00 N ATOM 1046 CA ASP A 69 -15.417 -1.688 -7.848 1.00 0.00 C ATOM 1047 C ASP A 69 -15.024 -1.532 -6.406 1.00 0.00 C ATOM 1048 O ASP A 69 -14.047 -2.137 -6.003 1.00 0.00 O ATOM 1049 CB ASP A 69 -14.540 -2.709 -8.576 1.00 0.00 C ATOM 1050 CG ASP A 69 -14.414 -2.450 -10.071 1.00 0.00 C ATOM 1051 OD1 ASP A 69 -15.344 -2.843 -10.805 1.00 0.00 O ATOM 1052 OD2 ASP A 69 -13.376 -1.863 -10.447 1.00 0.00 O ATOM 0 H ASP A 69 -14.303 -0.022 -8.452 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.431 -2.071 -7.961 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.545 -2.704 -8.130 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.954 -3.706 -8.422 1.00 0.00 H new ATOM 1057 N GLU A 70 -15.676 -0.637 -5.662 1.00 0.00 N ATOM 1058 CA GLU A 70 -15.338 -0.377 -4.282 1.00 0.00 C ATOM 1059 C GLU A 70 -15.402 -1.662 -3.469 1.00 0.00 C ATOM 1060 O GLU A 70 -14.380 -2.323 -3.300 1.00 0.00 O ATOM 1061 CB GLU A 70 -16.251 0.712 -3.733 1.00 0.00 C ATOM 1062 CG GLU A 70 -17.701 0.542 -4.192 1.00 0.00 C ATOM 1063 CD GLU A 70 -18.664 0.714 -3.031 1.00 0.00 C ATOM 1064 OE1 GLU A 70 -18.693 -0.221 -2.201 1.00 0.00 O ATOM 1065 OE2 GLU A 70 -19.351 1.757 -2.999 1.00 0.00 O ATOM 0 H GLU A 70 -16.454 -0.076 -6.010 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.313 -0.014 -4.211 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.213 0.699 -2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.883 1.687 -4.053 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -17.928 1.272 -4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -17.832 -0.445 -4.635 1.00 0.00 H new ATOM 1072 N GLN A 71 -16.594 -2.032 -2.990 1.00 0.00 N ATOM 1073 CA GLN A 71 -16.812 -3.238 -2.215 1.00 0.00 C ATOM 1074 C GLN A 71 -16.098 -4.445 -2.810 1.00 0.00 C ATOM 1075 O GLN A 71 -15.450 -5.190 -2.082 1.00 0.00 O ATOM 1076 CB GLN A 71 -18.309 -3.522 -2.132 1.00 0.00 C ATOM 1077 CG GLN A 71 -18.898 -2.938 -0.848 1.00 0.00 C ATOM 1078 CD GLN A 71 -18.276 -3.548 0.404 1.00 0.00 C ATOM 1079 OE1 GLN A 71 -17.647 -4.715 0.278 1.00 0.00 O flip ATOM 1080 NE2 GLN A 71 -18.358 -2.962 1.479 1.00 0.00 N flip ATOM 0 H GLN A 71 -17.443 -1.486 -3.137 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.399 -3.070 -1.220 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -18.814 -3.094 -2.998 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -18.483 -4.598 -2.162 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -18.744 -1.859 -0.838 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -19.975 -3.107 -0.835 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -18.848 -2.069 1.537 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -17.936 -3.368 2.314 1.00 0.00 H new ATOM 1089 N GLU A 72 -16.217 -4.637 -4.123 1.00 0.00 N ATOM 1090 CA GLU A 72 -15.617 -5.771 -4.788 1.00 0.00 C ATOM 1091 C GLU A 72 -14.102 -5.738 -4.610 1.00 0.00 C ATOM 1092 O GLU A 72 -13.503 -6.740 -4.216 1.00 0.00 O ATOM 1093 CB GLU A 72 -16.079 -5.750 -6.248 1.00 0.00 C ATOM 1094 CG GLU A 72 -14.977 -6.038 -7.261 1.00 0.00 C ATOM 1095 CD GLU A 72 -15.544 -6.031 -8.671 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -16.406 -5.163 -8.927 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -15.092 -6.884 -9.463 1.00 0.00 O ATOM 0 H GLU A 72 -16.730 -4.011 -4.743 1.00 0.00 H new ATOM 0 HA GLU A 72 -15.936 -6.718 -4.353 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -16.874 -6.485 -6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -16.510 -4.773 -6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.189 -5.290 -7.175 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.522 -7.006 -7.049 1.00 0.00 H new ATOM 1104 N ALA A 73 -13.495 -4.578 -4.863 1.00 0.00 N ATOM 1105 CA ALA A 73 -12.071 -4.407 -4.753 1.00 0.00 C ATOM 1106 C ALA A 73 -11.631 -4.669 -3.325 1.00 0.00 C ATOM 1107 O ALA A 73 -10.838 -5.566 -3.065 1.00 0.00 O ATOM 1108 CB ALA A 73 -11.775 -2.970 -5.147 1.00 0.00 C ATOM 0 H ALA A 73 -13.992 -3.735 -5.150 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.534 -5.103 -5.397 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.702 -2.788 -5.080 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.109 -2.797 -6.170 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.301 -2.293 -4.474 1.00 0.00 H new ATOM 1114 N LEU A 74 -12.173 -3.897 -2.386 1.00 0.00 N ATOM 1115 CA LEU A 74 -11.806 -4.006 -0.987 1.00 0.00 C ATOM 1116 C LEU A 74 -11.956 -5.436 -0.477 1.00 0.00 C ATOM 1117 O LEU A 74 -11.073 -5.912 0.235 1.00 0.00 O ATOM 1118 CB LEU A 74 -12.587 -2.970 -0.195 1.00 0.00 C ATOM 1119 CG LEU A 74 -14.084 -3.126 -0.402 1.00 0.00 C ATOM 1120 CD1 LEU A 74 -14.728 -3.771 0.816 1.00 0.00 C ATOM 1121 CD2 LEU A 74 -14.658 -1.738 -0.657 1.00 0.00 C ATOM 0 H LEU A 74 -12.876 -3.183 -2.578 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.747 -3.785 -0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.353 -3.068 0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.279 -1.970 -0.499 1.00 0.00 H new ATOM 0 HG LEU A 74 -14.289 -3.777 -1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -15.800 -3.874 0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -14.290 -4.755 0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -14.556 -3.146 1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -15.735 -1.812 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -14.457 -1.098 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.193 -1.310 -1.545 1.00 0.00 H new ATOM 1133 N GLU A 75 -13.023 -6.139 -0.878 1.00 0.00 N ATOM 1134 CA GLU A 75 -13.180 -7.540 -0.526 1.00 0.00 C ATOM 1135 C GLU A 75 -12.013 -8.351 -1.083 1.00 0.00 C ATOM 1136 O GLU A 75 -11.337 -9.028 -0.315 1.00 0.00 O ATOM 1137 CB GLU A 75 -14.514 -8.078 -1.041 1.00 0.00 C ATOM 1138 CG GLU A 75 -15.676 -7.339 -0.377 1.00 0.00 C ATOM 1139 CD GLU A 75 -15.651 -7.455 1.140 1.00 0.00 C ATOM 1140 OE1 GLU A 75 -15.146 -8.488 1.630 1.00 0.00 O ATOM 1141 OE2 GLU A 75 -16.144 -6.499 1.778 1.00 0.00 O ATOM 0 H GLU A 75 -13.781 -5.756 -1.443 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.179 -7.633 0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.569 -7.958 -2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.587 -9.146 -0.834 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.641 -6.286 -0.658 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.618 -7.738 -0.753 1.00 0.00 H new ATOM 1148 N LYS A 76 -11.764 -8.268 -2.397 1.00 0.00 N ATOM 1149 CA LYS A 76 -10.658 -8.959 -3.052 1.00 0.00 C ATOM 1150 C LYS A 76 -9.373 -8.786 -2.268 1.00 0.00 C ATOM 1151 O LYS A 76 -8.713 -9.742 -1.871 1.00 0.00 O ATOM 1152 CB LYS A 76 -10.391 -8.296 -4.402 1.00 0.00 C ATOM 1153 CG LYS A 76 -11.584 -8.457 -5.321 1.00 0.00 C ATOM 1154 CD LYS A 76 -11.465 -9.789 -6.061 1.00 0.00 C ATOM 1155 CE LYS A 76 -10.220 -9.755 -6.955 1.00 0.00 C ATOM 1156 NZ LYS A 76 -10.062 -11.015 -7.703 1.00 0.00 N ATOM 0 H LYS A 76 -12.333 -7.713 -3.036 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.931 -10.011 -3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.177 -7.237 -4.257 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.508 -8.739 -4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.509 -8.427 -4.746 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.625 -7.633 -6.033 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.394 -10.610 -5.348 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.356 -9.966 -6.663 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.294 -8.922 -7.654 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.335 -9.580 -6.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.211 -10.961 -8.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.967 -11.806 -7.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.896 -11.169 -8.305 1.00 0.00 H new ATOM 1170 N LEU A 77 -9.032 -7.521 -2.072 1.00 0.00 N ATOM 1171 CA LEU A 77 -7.776 -7.129 -1.487 1.00 0.00 C ATOM 1172 C LEU A 77 -7.658 -7.509 -0.020 1.00 0.00 C ATOM 1173 O LEU A 77 -6.737 -8.252 0.310 1.00 0.00 O ATOM 1174 CB LEU A 77 -7.528 -5.651 -1.758 1.00 0.00 C ATOM 1175 CG LEU A 77 -7.235 -5.420 -3.248 1.00 0.00 C ATOM 1176 CD1 LEU A 77 -6.257 -6.453 -3.765 1.00 0.00 C ATOM 1177 CD2 LEU A 77 -8.430 -5.680 -4.145 1.00 0.00 C ATOM 0 H LEU A 77 -9.633 -6.735 -2.321 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.978 -7.695 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.399 -5.069 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.688 -5.301 -1.157 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.893 -4.386 -3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.062 -6.273 -4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.324 -6.382 -3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.680 -7.450 -3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.152 -5.498 -5.183 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.751 -6.715 -4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.246 -5.014 -3.866 1.00 0.00 H new ATOM 1189 N ALA A 78 -8.545 -7.033 0.862 1.00 0.00 N ATOM 1190 CA ALA A 78 -8.435 -7.395 2.274 1.00 0.00 C ATOM 1191 C ALA A 78 -8.581 -8.906 2.461 1.00 0.00 C ATOM 1192 O ALA A 78 -8.030 -9.465 3.406 1.00 0.00 O ATOM 1193 CB ALA A 78 -9.401 -6.612 3.162 1.00 0.00 C ATOM 0 H ALA A 78 -9.323 -6.415 0.631 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.435 -7.111 2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.275 -6.922 4.199 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.193 -5.546 3.074 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.426 -6.809 2.847 1.00 0.00 H new ATOM 1199 N ALA A 79 -9.305 -9.584 1.570 1.00 0.00 N ATOM 1200 CA ALA A 79 -9.356 -11.031 1.583 1.00 0.00 C ATOM 1201 C ALA A 79 -7.967 -11.582 1.294 1.00 0.00 C ATOM 1202 O ALA A 79 -7.402 -12.342 2.079 1.00 0.00 O ATOM 1203 CB ALA A 79 -10.270 -11.500 0.458 1.00 0.00 C ATOM 0 H ALA A 79 -9.861 -9.147 0.834 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.716 -11.372 2.554 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.317 -12.589 0.457 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.270 -11.094 0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.878 -11.153 -0.498 1.00 0.00 H new ATOM 1209 N TYR A 80 -7.428 -11.163 0.148 1.00 0.00 N ATOM 1210 CA TYR A 80 -6.170 -11.629 -0.390 1.00 0.00 C ATOM 1211 C TYR A 80 -5.032 -11.454 0.602 1.00 0.00 C ATOM 1212 O TYR A 80 -4.439 -12.436 1.043 1.00 0.00 O ATOM 1213 CB TYR A 80 -5.909 -10.869 -1.688 1.00 0.00 C ATOM 1214 CG TYR A 80 -4.657 -11.318 -2.410 1.00 0.00 C ATOM 1215 CD1 TYR A 80 -4.418 -12.691 -2.590 1.00 0.00 C ATOM 1216 CD2 TYR A 80 -3.676 -10.380 -2.783 1.00 0.00 C ATOM 1217 CE1 TYR A 80 -3.206 -13.125 -3.149 1.00 0.00 C ATOM 1218 CE2 TYR A 80 -2.454 -10.820 -3.326 1.00 0.00 C ATOM 1219 CZ TYR A 80 -2.217 -12.193 -3.499 1.00 0.00 C ATOM 1220 OH TYR A 80 -0.987 -12.629 -3.890 1.00 0.00 O ATOM 0 H TYR A 80 -7.879 -10.466 -0.444 1.00 0.00 H new ATOM 0 HA TYR A 80 -6.227 -12.699 -0.590 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.765 -10.993 -2.351 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.829 -9.805 -1.467 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.167 -13.412 -2.298 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.861 -9.324 -2.653 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -3.034 -14.179 -3.310 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.699 -10.102 -3.609 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.791 -13.487 -3.458 1.00 0.00 H new ATOM 1230 N VAL A 81 -4.768 -10.201 0.964 1.00 0.00 N ATOM 1231 CA VAL A 81 -3.696 -9.743 1.843 1.00 0.00 C ATOM 1232 C VAL A 81 -3.405 -10.620 3.048 1.00 0.00 C ATOM 1233 O VAL A 81 -2.250 -10.741 3.456 1.00 0.00 O ATOM 1234 CB VAL A 81 -4.109 -8.397 2.421 1.00 0.00 C ATOM 1235 CG1 VAL A 81 -4.240 -7.397 1.294 1.00 0.00 C ATOM 1236 CG2 VAL A 81 -5.457 -8.558 3.125 1.00 0.00 C ATOM 0 H VAL A 81 -5.338 -9.425 0.627 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.804 -9.735 1.217 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.363 -8.045 3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.536 -6.429 1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.283 -7.299 0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.996 -7.741 0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.765 -7.600 3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.204 -8.897 2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.364 -9.291 3.926 1.00 0.00 H new ATOM 1246 N GLN A 82 -4.451 -11.173 3.650 1.00 0.00 N ATOM 1247 CA GLN A 82 -4.344 -11.877 4.899 1.00 0.00 C ATOM 1248 C GLN A 82 -4.685 -13.353 4.763 1.00 0.00 C ATOM 1249 O GLN A 82 -5.009 -13.997 5.759 1.00 0.00 O ATOM 1250 CB GLN A 82 -5.326 -11.181 5.830 1.00 0.00 C ATOM 1251 CG GLN A 82 -6.759 -11.395 5.387 1.00 0.00 C ATOM 1252 CD GLN A 82 -7.644 -10.815 6.476 1.00 0.00 C ATOM 1253 OE1 GLN A 82 -7.361 -10.957 7.665 1.00 0.00 O ATOM 1254 NE2 GLN A 82 -8.628 -10.042 6.061 1.00 0.00 N ATOM 0 H GLN A 82 -5.399 -11.139 3.274 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.321 -11.852 5.274 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.197 -11.559 6.844 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.108 -10.113 5.858 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.947 -10.903 4.433 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.966 -12.456 5.244 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.824 -9.957 5.064 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.194 -9.529 6.737 1.00 0.00 H new ATOM 1263 N GLU A 83 -4.627 -13.896 3.548 1.00 0.00 N ATOM 1264 CA GLU A 83 -5.106 -15.247 3.382 1.00 0.00 C ATOM 1265 C GLU A 83 -4.028 -16.264 2.992 1.00 0.00 C ATOM 1266 O GLU A 83 -3.791 -17.229 3.713 1.00 0.00 O ATOM 1267 CB GLU A 83 -6.303 -15.174 2.430 1.00 0.00 C ATOM 1268 CG GLU A 83 -5.883 -14.925 0.980 1.00 0.00 C ATOM 1269 CD GLU A 83 -7.076 -14.810 0.042 1.00 0.00 C ATOM 1270 OE1 GLU A 83 -8.203 -15.117 0.490 1.00 0.00 O ATOM 1271 OE2 GLU A 83 -6.832 -14.415 -1.118 1.00 0.00 O ATOM 0 H GLU A 83 -4.270 -13.440 2.708 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.426 -15.651 4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.866 -16.106 2.487 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.972 -14.377 2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.293 -14.010 0.927 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.239 -15.739 0.646 1.00 0.00 H new ATOM 1278 N GLU A 84 -3.323 -16.057 1.880 1.00 0.00 N ATOM 1279 CA GLU A 84 -2.403 -17.069 1.383 1.00 0.00 C ATOM 1280 C GLU A 84 -0.983 -16.887 1.915 1.00 0.00 C ATOM 1281 O GLU A 84 -0.079 -16.525 1.172 1.00 0.00 O ATOM 1282 CB GLU A 84 -2.439 -17.065 -0.137 1.00 0.00 C ATOM 1283 CG GLU A 84 -1.993 -15.674 -0.567 1.00 0.00 C ATOM 1284 CD GLU A 84 -1.626 -15.608 -2.042 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -2.323 -16.277 -2.834 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -0.675 -14.861 -2.360 1.00 0.00 O ATOM 0 H GLU A 84 -3.372 -15.209 1.316 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.729 -18.042 1.752 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.777 -17.830 -0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.442 -17.283 -0.504 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.792 -14.961 -0.363 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.134 -15.371 0.031 1.00 0.00 H new ATOM 1293 N VAL A 85 -0.839 -17.104 3.219 1.00 0.00 N ATOM 1294 CA VAL A 85 0.389 -17.053 4.031 1.00 0.00 C ATOM 1295 C VAL A 85 1.666 -16.787 3.229 1.00 0.00 C ATOM 1296 O VAL A 85 2.261 -17.724 2.611 1.00 0.00 O ATOM 1297 CB VAL A 85 0.526 -18.374 4.886 1.00 0.00 C ATOM 1298 CG1 VAL A 85 -0.526 -18.581 6.011 1.00 0.00 C ATOM 1299 CG2 VAL A 85 0.485 -19.673 4.045 1.00 0.00 C ATOM 1300 OXT VAL A 85 2.139 -15.609 3.180 1.00 0.00 O ATOM 0 H VAL A 85 -1.648 -17.342 3.793 1.00 0.00 H new ATOM 0 HA VAL A 85 0.281 -16.192 4.690 1.00 0.00 H new ATOM 0 HB VAL A 85 1.506 -18.205 5.333 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.328 -19.521 6.526 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.465 -17.757 6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.524 -18.610 5.575 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.585 -20.536 4.703 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.464 -19.731 3.512 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.305 -19.668 3.327 1.00 0.00 H new TER 1310 VAL A 85