USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 695 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 51 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 82 THR OG1 : rot 60:sc= -1.6 USER MOD Set 2.1: A 27 CYS SG : rot -126:sc= -1.79 USER MOD Set 2.2: A 66 CYS SG : rot 140:sc= -2.58 USER MOD Set 3.1: A 23 ASN : amide:sc= -6.19! C(o=-10!,f=-13!) USER MOD Set 3.2: A 28 THR OG1 : rot -140:sc= -3.93 USER MOD Set 4.1: A 19 SER OG : rot -163:sc= 0.697 USER MOD Set 4.2: A 103 GLN : amide:sc= -4.93! C(o=-4.2!,f=-8.6!) USER MOD Set 5.1: A 9 MET CE :methyl 174:sc= -0.705 (180deg=-0.743) USER MOD Set 5.2: A 11 LYS NZ :NH3+ -162:sc= 1.18 (180deg=0.853) USER MOD Set 6.1: A 5 ASN : amide:sc= -3.66 K(o=-4.3,f=-2!) USER MOD Set 6.2: A 78 SER OG : rot 180:sc= -0.626 USER MOD Single : A 1 LEU N :NH3+ -160:sc= -0.289 (180deg=-0.913) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 177:sc= -2.8! (180deg=-2.83!) USER MOD Single : A 14 LYS NZ :NH3+ -142:sc= -0.553 (180deg=-1.97!) USER MOD Single : A 21 SER OG : rot -77:sc= -5.17! USER MOD Single : A 34 GLN : amide:sc= -0.086 X(o=-0.086,f=-0.43) USER MOD Single : A 36 GLN : amide:sc= -11.5! C(o=-12!,f=-22!) USER MOD Single : A 37 TYR OH : rot -100:sc= 0.981 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= 0.542 (180deg=0.431) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0.041) USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.162) USER MOD Single : A 54 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.083) USER MOD Single : A 64 GLN : amide:sc= -0.245 K(o=-0.24,f=-2.2!) USER MOD Single : A 67 TYR OH : rot 92:sc= 0.982 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.198 K(o=-0.2,f=-1.9) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 167:sc= -0.884 (180deg=-1.52) USER MOD Single : A 104 TYR OH : rot -123:sc= 1.69 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -0.974 -10.297 -14.066 1.00 0.00 N ATOM 2 CA LEU A 1 -1.147 -9.216 -13.061 1.00 0.00 C ATOM 3 C LEU A 1 -0.742 -7.860 -13.630 1.00 0.00 C ATOM 4 O LEU A 1 0.357 -7.704 -14.163 1.00 0.00 O ATOM 5 CB LEU A 1 -0.293 -9.548 -11.835 1.00 0.00 C ATOM 6 CG LEU A 1 -0.731 -10.791 -11.057 1.00 0.00 C ATOM 7 CD1 LEU A 1 0.051 -12.012 -11.516 1.00 0.00 C ATOM 8 CD2 LEU A 1 -0.554 -10.573 -9.562 1.00 0.00 C ATOM 0 H1 LEU A 1 -1.552 -11.118 -13.796 1.00 0.00 H new ATOM 0 H2 LEU A 1 -1.275 -9.954 -15.000 1.00 0.00 H new ATOM 0 H3 LEU A 1 0.027 -10.577 -14.106 1.00 0.00 H new ATOM 0 HA LEU A 1 -2.199 -9.154 -12.783 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.739 -9.685 -12.157 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -0.306 -8.692 -11.160 1.00 0.00 H new ATOM 0 HG LEU A 1 -1.788 -10.967 -11.256 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.274 -12.886 -10.951 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -0.127 -12.180 -12.578 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.115 -11.847 -11.348 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -0.870 -11.467 -9.024 1.00 0.00 H new ATOM 0 HD22 LEU A 1 0.495 -10.371 -9.345 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -1.160 -9.725 -9.244 1.00 0.00 H new ATOM 22 N GLU A 2 -1.633 -6.882 -13.511 1.00 0.00 N ATOM 23 CA GLU A 2 -1.363 -5.540 -14.011 1.00 0.00 C ATOM 24 C GLU A 2 -0.535 -4.746 -13.014 1.00 0.00 C ATOM 25 O GLU A 2 -0.462 -5.094 -11.835 1.00 0.00 O ATOM 26 CB GLU A 2 -2.672 -4.795 -14.286 1.00 0.00 C ATOM 27 CG GLU A 2 -2.590 -3.829 -15.457 1.00 0.00 C ATOM 28 CD GLU A 2 -3.781 -3.938 -16.389 1.00 0.00 C ATOM 29 OE1 GLU A 2 -4.320 -5.056 -16.534 1.00 0.00 O ATOM 30 OE2 GLU A 2 -4.173 -2.907 -16.973 1.00 0.00 O ATOM 0 H GLU A 2 -2.547 -6.994 -13.073 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.801 -5.640 -14.940 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.460 -5.523 -14.481 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.961 -4.244 -13.391 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.523 -2.809 -15.078 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.676 -4.021 -16.018 1.00 0.00 H new ATOM 37 N LYS A 3 0.077 -3.670 -13.489 1.00 0.00 N ATOM 38 CA LYS A 3 0.883 -2.815 -12.633 1.00 0.00 C ATOM 39 C LYS A 3 0.946 -1.399 -13.188 1.00 0.00 C ATOM 40 O LYS A 3 1.260 -1.191 -14.359 1.00 0.00 O ATOM 41 CB LYS A 3 2.301 -3.368 -12.479 1.00 0.00 C ATOM 42 CG LYS A 3 2.360 -4.867 -12.242 1.00 0.00 C ATOM 43 CD LYS A 3 3.799 -5.349 -12.130 1.00 0.00 C ATOM 44 CE LYS A 3 3.917 -6.551 -11.208 1.00 0.00 C ATOM 45 NZ LYS A 3 4.115 -7.817 -11.968 1.00 0.00 N ATOM 0 H LYS A 3 0.030 -3.370 -14.463 1.00 0.00 H new ATOM 0 HA LYS A 3 0.407 -2.793 -11.653 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.872 -3.130 -13.377 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.789 -2.860 -11.647 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.818 -5.115 -11.329 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.862 -5.387 -13.060 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.173 -5.611 -13.120 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.426 -4.540 -11.756 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.753 -6.403 -10.524 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.017 -6.631 -10.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.191 -8.613 -11.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.305 -7.972 -12.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.987 -7.752 -12.530 1.00 0.00 H new ATOM 59 N PHE A 4 0.660 -0.429 -12.330 1.00 0.00 N ATOM 60 CA PHE A 4 0.696 0.972 -12.721 1.00 0.00 C ATOM 61 C PHE A 4 1.352 1.799 -11.624 1.00 0.00 C ATOM 62 O PHE A 4 1.593 1.300 -10.526 1.00 0.00 O ATOM 63 CB PHE A 4 -0.717 1.492 -13.014 1.00 0.00 C ATOM 64 CG PHE A 4 -1.580 1.647 -11.793 1.00 0.00 C ATOM 65 CD1 PHE A 4 -2.059 0.535 -11.119 1.00 0.00 C ATOM 66 CD2 PHE A 4 -1.916 2.906 -11.322 1.00 0.00 C ATOM 67 CE1 PHE A 4 -2.857 0.677 -10.000 1.00 0.00 C ATOM 68 CE2 PHE A 4 -2.712 3.052 -10.206 1.00 0.00 C ATOM 69 CZ PHE A 4 -3.183 1.938 -9.543 1.00 0.00 C ATOM 0 H PHE A 4 0.400 -0.588 -11.357 1.00 0.00 H new ATOM 0 HA PHE A 4 1.285 1.064 -13.634 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.641 2.456 -13.516 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.207 0.809 -13.708 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.806 -0.454 -11.472 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.550 3.783 -11.835 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.225 -0.197 -9.484 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.967 4.039 -9.851 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.806 2.052 -8.668 1.00 0.00 H new ATOM 79 N ASN A 5 1.646 3.056 -11.922 1.00 0.00 N ATOM 80 CA ASN A 5 2.283 3.933 -10.949 1.00 0.00 C ATOM 81 C ASN A 5 1.309 4.985 -10.441 1.00 0.00 C ATOM 82 O ASN A 5 0.568 5.590 -11.216 1.00 0.00 O ATOM 83 CB ASN A 5 3.510 4.608 -11.565 1.00 0.00 C ATOM 84 CG ASN A 5 4.778 4.341 -10.777 1.00 0.00 C ATOM 85 OD1 ASN A 5 5.812 3.985 -11.342 1.00 0.00 O ATOM 86 ND2 ASN A 5 4.706 4.513 -9.463 1.00 0.00 N ATOM 0 H ASN A 5 1.455 3.491 -12.825 1.00 0.00 H new ATOM 0 HA ASN A 5 2.600 3.323 -10.103 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.640 4.254 -12.588 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.340 5.683 -11.620 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.528 4.349 -8.881 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.829 4.809 -9.035 1.00 0.00 H new ATOM 93 N VAL A 6 1.318 5.198 -9.132 1.00 0.00 N ATOM 94 CA VAL A 6 0.443 6.176 -8.508 1.00 0.00 C ATOM 95 C VAL A 6 1.257 7.278 -7.850 1.00 0.00 C ATOM 96 O VAL A 6 1.876 7.065 -6.810 1.00 0.00 O ATOM 97 CB VAL A 6 -0.459 5.522 -7.445 1.00 0.00 C ATOM 98 CG1 VAL A 6 -1.562 6.473 -7.011 1.00 0.00 C ATOM 99 CG2 VAL A 6 -1.032 4.217 -7.962 1.00 0.00 C ATOM 0 H VAL A 6 1.926 4.702 -8.480 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.183 6.598 -9.294 1.00 0.00 H new ATOM 0 HB VAL A 6 0.150 5.299 -6.569 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.186 5.988 -6.260 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.119 7.375 -6.588 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.173 6.739 -7.873 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.667 3.770 -7.197 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.623 4.409 -8.857 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.219 3.533 -8.204 1.00 0.00 H new ATOM 109 N ASP A 7 1.251 8.456 -8.455 1.00 0.00 N ATOM 110 CA ASP A 7 1.994 9.580 -7.912 1.00 0.00 C ATOM 111 C ASP A 7 1.050 10.622 -7.332 1.00 0.00 C ATOM 112 O ASP A 7 0.133 11.087 -8.010 1.00 0.00 O ATOM 113 CB ASP A 7 2.863 10.215 -9.000 1.00 0.00 C ATOM 114 CG ASP A 7 2.083 10.507 -10.267 1.00 0.00 C ATOM 115 OD1 ASP A 7 1.525 9.553 -10.853 1.00 0.00 O ATOM 116 OD2 ASP A 7 2.028 11.686 -10.674 1.00 0.00 O ATOM 0 H ASP A 7 0.743 8.657 -9.316 1.00 0.00 H new ATOM 0 HA ASP A 7 2.635 9.209 -7.113 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.295 11.141 -8.621 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.693 9.548 -9.233 1.00 0.00 H new ATOM 121 N LEU A 8 1.285 11.002 -6.080 1.00 0.00 N ATOM 122 CA LEU A 8 0.453 12.008 -5.433 1.00 0.00 C ATOM 123 C LEU A 8 1.265 12.802 -4.429 1.00 0.00 C ATOM 124 O LEU A 8 2.272 12.326 -3.914 1.00 0.00 O ATOM 125 CB LEU A 8 -0.789 11.389 -4.762 1.00 0.00 C ATOM 126 CG LEU A 8 -0.567 10.197 -3.813 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.279 9.117 -4.464 1.00 0.00 C ATOM 128 CD2 LEU A 8 0.047 10.645 -2.492 1.00 0.00 C ATOM 0 H LEU A 8 2.037 10.632 -5.499 1.00 0.00 H new ATOM 0 HA LEU A 8 0.095 12.684 -6.210 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.295 12.175 -4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.472 11.069 -5.549 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.546 9.769 -3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.415 8.291 -3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.222 8.754 -5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.252 9.529 -4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.191 9.779 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.010 11.120 -2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.619 11.356 -2.004 1.00 0.00 H new ATOM 140 N MET A 9 0.831 14.019 -4.153 1.00 0.00 N ATOM 141 CA MET A 9 1.536 14.867 -3.207 1.00 0.00 C ATOM 142 C MET A 9 1.440 14.293 -1.807 1.00 0.00 C ATOM 143 O MET A 9 0.351 14.119 -1.262 1.00 0.00 O ATOM 144 CB MET A 9 0.979 16.286 -3.252 1.00 0.00 C ATOM 145 CG MET A 9 1.748 17.195 -4.198 1.00 0.00 C ATOM 146 SD MET A 9 2.703 18.456 -3.335 1.00 0.00 S ATOM 147 CE MET A 9 4.356 17.786 -3.489 1.00 0.00 C ATOM 0 H MET A 9 -0.000 14.441 -4.567 1.00 0.00 H new ATOM 0 HA MET A 9 2.589 14.904 -3.487 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.066 16.251 -3.560 1.00 0.00 H new ATOM 0 HB3 MET A 9 1.002 16.712 -2.249 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.420 16.591 -4.808 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.048 17.679 -4.879 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.077 18.503 -3.098 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.426 16.856 -2.924 1.00 0.00 H new ATOM 0 HE3 MET A 9 4.573 17.590 -4.539 1.00 0.00 H new ATOM 157 N LYS A 10 2.595 13.974 -1.239 1.00 0.00 N ATOM 158 CA LYS A 10 2.655 13.390 0.088 1.00 0.00 C ATOM 159 C LYS A 10 3.045 14.410 1.144 1.00 0.00 C ATOM 160 O LYS A 10 3.796 15.348 0.880 1.00 0.00 O ATOM 161 CB LYS A 10 3.653 12.236 0.104 1.00 0.00 C ATOM 162 CG LYS A 10 3.066 10.952 0.645 1.00 0.00 C ATOM 163 CD LYS A 10 3.222 10.878 2.153 1.00 0.00 C ATOM 164 CE LYS A 10 2.028 10.209 2.785 1.00 0.00 C ATOM 165 NZ LYS A 10 0.850 11.120 2.850 1.00 0.00 N ATOM 0 H LYS A 10 3.504 14.112 -1.681 1.00 0.00 H new ATOM 0 HA LYS A 10 1.656 13.025 0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.017 12.064 -0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.515 12.517 0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.010 10.891 0.381 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.560 10.098 0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.128 10.325 2.402 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.339 11.882 2.560 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.767 9.318 2.214 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.287 9.878 3.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.036 10.607 3.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.074 11.934 3.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.618 11.456 1.894 1.00 0.00 H new ATOM 179 N LYS A 11 2.546 14.191 2.353 1.00 0.00 N ATOM 180 CA LYS A 11 2.854 15.061 3.477 1.00 0.00 C ATOM 181 C LYS A 11 3.100 14.231 4.733 1.00 0.00 C ATOM 182 O LYS A 11 2.313 14.257 5.681 1.00 0.00 O ATOM 183 CB LYS A 11 1.721 16.060 3.714 1.00 0.00 C ATOM 184 CG LYS A 11 1.207 16.711 2.441 1.00 0.00 C ATOM 185 CD LYS A 11 2.212 17.702 1.873 1.00 0.00 C ATOM 186 CE LYS A 11 2.240 17.657 0.354 1.00 0.00 C ATOM 187 NZ LYS A 11 3.494 18.239 -0.198 1.00 0.00 N ATOM 0 H LYS A 11 1.924 13.415 2.580 1.00 0.00 H new ATOM 0 HA LYS A 11 3.760 15.620 3.242 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.895 15.549 4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.070 16.837 4.394 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.994 15.942 1.699 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.267 17.223 2.647 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.958 18.709 2.204 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.205 17.479 2.263 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.142 16.624 0.020 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.383 18.202 -0.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.356 18.471 -1.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.736 19.104 0.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.267 17.550 -0.104 1.00 0.00 H new ATOM 201 N ALA A 12 4.209 13.501 4.725 1.00 0.00 N ATOM 202 CA ALA A 12 4.601 12.653 5.846 1.00 0.00 C ATOM 203 C ALA A 12 3.437 11.810 6.376 1.00 0.00 C ATOM 204 O ALA A 12 3.422 11.436 7.549 1.00 0.00 O ATOM 205 CB ALA A 12 5.189 13.502 6.962 1.00 0.00 C ATOM 0 H ALA A 12 4.862 13.480 3.942 1.00 0.00 H new ATOM 0 HA ALA A 12 5.357 11.959 5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.478 12.860 7.794 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.066 14.033 6.592 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.445 14.222 7.302 1.00 0.00 H new ATOM 211 N GLY A 13 2.473 11.507 5.512 1.00 0.00 N ATOM 212 CA GLY A 13 1.336 10.701 5.927 1.00 0.00 C ATOM 213 C GLY A 13 0.130 11.531 6.318 1.00 0.00 C ATOM 214 O GLY A 13 0.182 12.298 7.279 1.00 0.00 O ATOM 0 H GLY A 13 2.457 11.803 4.536 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.059 10.029 5.115 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.629 10.077 6.771 1.00 0.00 H new ATOM 218 N LYS A 14 -0.962 11.373 5.572 1.00 0.00 N ATOM 219 CA LYS A 14 -2.186 12.109 5.849 1.00 0.00 C ATOM 220 C LYS A 14 -3.364 11.575 5.022 1.00 0.00 C ATOM 221 O LYS A 14 -3.990 10.577 5.382 1.00 0.00 O ATOM 222 CB LYS A 14 -1.979 13.599 5.569 1.00 0.00 C ATOM 223 CG LYS A 14 -1.101 13.880 4.361 1.00 0.00 C ATOM 224 CD LYS A 14 -1.464 15.206 3.708 1.00 0.00 C ATOM 225 CE LYS A 14 -1.365 16.363 4.690 1.00 0.00 C ATOM 226 NZ LYS A 14 -2.640 16.573 5.430 1.00 0.00 N ATOM 0 H LYS A 14 -1.020 10.742 4.773 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.428 11.970 6.903 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.951 14.069 5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.533 14.066 6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.055 13.897 4.666 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.209 13.074 3.635 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.801 15.389 2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.478 15.151 3.312 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.561 16.169 5.400 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.103 17.274 4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.804 17.592 5.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.427 16.160 4.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.581 16.114 6.361 1.00 0.00 H new ATOM 240 N GLU A 15 -3.664 12.262 3.921 1.00 0.00 N ATOM 241 CA GLU A 15 -4.757 11.905 3.031 1.00 0.00 C ATOM 242 C GLU A 15 -4.500 10.610 2.258 1.00 0.00 C ATOM 243 O GLU A 15 -5.363 10.155 1.512 1.00 0.00 O ATOM 244 CB GLU A 15 -5.029 13.045 2.060 1.00 0.00 C ATOM 245 CG GLU A 15 -5.302 14.377 2.741 1.00 0.00 C ATOM 246 CD GLU A 15 -5.987 15.372 1.823 1.00 0.00 C ATOM 247 OE1 GLU A 15 -5.380 15.753 0.800 1.00 0.00 O ATOM 248 OE2 GLU A 15 -7.132 15.769 2.128 1.00 0.00 O ATOM 0 H GLU A 15 -3.147 13.089 3.623 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.631 11.730 3.658 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.173 13.156 1.395 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.884 12.784 1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.925 14.211 3.620 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.361 14.801 3.093 1.00 0.00 H new ATOM 255 N LEU A 16 -3.311 10.031 2.404 1.00 0.00 N ATOM 256 CA LEU A 16 -2.971 8.803 1.677 1.00 0.00 C ATOM 257 C LEU A 16 -4.134 7.817 1.729 1.00 0.00 C ATOM 258 O LEU A 16 -4.434 7.143 0.744 1.00 0.00 O ATOM 259 CB LEU A 16 -1.733 8.140 2.298 1.00 0.00 C ATOM 260 CG LEU A 16 -0.407 8.360 1.568 1.00 0.00 C ATOM 261 CD1 LEU A 16 0.617 7.330 2.022 1.00 0.00 C ATOM 262 CD2 LEU A 16 -0.581 8.296 0.060 1.00 0.00 C ATOM 0 H LEU A 16 -2.572 10.385 3.011 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.763 9.070 0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.626 8.505 3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.915 7.067 2.361 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.050 9.359 1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.557 7.496 1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.779 7.427 3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.249 6.328 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.382 8.457 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.969 7.317 -0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.281 9.068 -0.259 1.00 0.00 H new ATOM 274 N GLY A 17 -4.801 7.769 2.878 1.00 0.00 N ATOM 275 CA GLY A 17 -5.952 6.899 3.055 1.00 0.00 C ATOM 276 C GLY A 17 -5.867 5.592 2.286 1.00 0.00 C ATOM 277 O GLY A 17 -6.769 5.263 1.512 1.00 0.00 O ATOM 0 H GLY A 17 -4.562 8.324 3.700 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.066 6.677 4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.849 7.434 2.743 1.00 0.00 H new ATOM 281 N LEU A 18 -4.798 4.841 2.507 1.00 0.00 N ATOM 282 CA LEU A 18 -4.618 3.558 1.838 1.00 0.00 C ATOM 283 C LEU A 18 -4.077 2.522 2.815 1.00 0.00 C ATOM 284 O LEU A 18 -2.865 2.394 2.992 1.00 0.00 O ATOM 285 CB LEU A 18 -3.678 3.702 0.641 1.00 0.00 C ATOM 286 CG LEU A 18 -2.243 4.120 0.983 1.00 0.00 C ATOM 287 CD1 LEU A 18 -1.269 2.997 0.667 1.00 0.00 C ATOM 288 CD2 LEU A 18 -1.862 5.383 0.230 1.00 0.00 C ATOM 0 H LEU A 18 -4.042 5.096 3.143 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.589 3.221 1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.645 2.751 0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.099 4.437 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.192 4.328 2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.256 3.313 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.529 2.115 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.323 2.757 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.840 5.665 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.931 5.202 -0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.541 6.190 0.506 1.00 0.00 H new ATOM 300 N SER A 19 -4.982 1.787 3.453 1.00 0.00 N ATOM 301 CA SER A 19 -4.591 0.765 4.417 1.00 0.00 C ATOM 302 C SER A 19 -3.782 -0.332 3.736 1.00 0.00 C ATOM 303 O SER A 19 -4.311 -1.101 2.935 1.00 0.00 O ATOM 304 CB SER A 19 -5.828 0.171 5.095 1.00 0.00 C ATOM 305 OG SER A 19 -5.560 -1.125 5.605 1.00 0.00 O ATOM 0 H SER A 19 -5.989 1.880 3.320 1.00 0.00 H new ATOM 0 HA SER A 19 -3.966 1.231 5.179 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.151 0.824 5.906 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.649 0.121 4.380 1.00 0.00 H new ATOM 0 HG SER A 19 -6.405 -1.589 5.781 1.00 0.00 H new ATOM 311 N LEU A 20 -2.492 -0.385 4.055 1.00 0.00 N ATOM 312 CA LEU A 20 -1.596 -1.377 3.467 1.00 0.00 C ATOM 313 C LEU A 20 -1.517 -2.641 4.317 1.00 0.00 C ATOM 314 O LEU A 20 -1.858 -2.632 5.500 1.00 0.00 O ATOM 315 CB LEU A 20 -0.198 -0.781 3.297 1.00 0.00 C ATOM 316 CG LEU A 20 -0.156 0.566 2.577 1.00 0.00 C ATOM 317 CD1 LEU A 20 0.954 1.440 3.141 1.00 0.00 C ATOM 318 CD2 LEU A 20 0.030 0.362 1.084 1.00 0.00 C ATOM 0 H LEU A 20 -2.043 0.247 4.718 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.000 -1.653 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.253 -0.664 4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.419 -1.491 2.746 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.106 1.075 2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.968 2.395 2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.777 1.613 4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.913 0.940 3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.058 1.331 0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.966 -0.167 0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.800 -0.225 0.691 1.00 0.00 H new ATOM 330 N SER A 21 -1.059 -3.728 3.700 1.00 0.00 N ATOM 331 CA SER A 21 -0.921 -5.007 4.388 1.00 0.00 C ATOM 332 C SER A 21 0.329 -5.744 3.911 1.00 0.00 C ATOM 333 O SER A 21 0.774 -5.555 2.780 1.00 0.00 O ATOM 334 CB SER A 21 -2.158 -5.873 4.151 1.00 0.00 C ATOM 335 OG SER A 21 -3.347 -5.132 4.356 1.00 0.00 O ATOM 0 H SER A 21 -0.776 -3.747 2.720 1.00 0.00 H new ATOM 0 HA SER A 21 -0.824 -4.811 5.456 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.141 -6.265 3.134 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.140 -6.730 4.824 1.00 0.00 H new ATOM 0 HG SER A 21 -3.509 -5.033 5.317 1.00 0.00 H new ATOM 341 N PRO A 22 0.917 -6.593 4.771 1.00 0.00 N ATOM 342 CA PRO A 22 2.127 -7.355 4.431 1.00 0.00 C ATOM 343 C PRO A 22 1.935 -8.252 3.211 1.00 0.00 C ATOM 344 O PRO A 22 0.918 -8.935 3.083 1.00 0.00 O ATOM 345 CB PRO A 22 2.383 -8.208 5.679 1.00 0.00 C ATOM 346 CG PRO A 22 1.650 -7.521 6.778 1.00 0.00 C ATOM 347 CD PRO A 22 0.455 -6.872 6.142 1.00 0.00 C ATOM 0 HA PRO A 22 2.954 -6.694 4.171 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.021 -9.227 5.541 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.449 -8.275 5.898 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.344 -8.232 7.546 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.283 -6.779 7.264 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.413 -7.531 6.149 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.166 -5.960 6.664 1.00 0.00 H new ATOM 355 N ASN A 23 2.923 -8.248 2.319 1.00 0.00 N ATOM 356 CA ASN A 23 2.870 -9.065 1.111 1.00 0.00 C ATOM 357 C ASN A 23 4.259 -9.573 0.728 1.00 0.00 C ATOM 358 O ASN A 23 5.273 -9.052 1.192 1.00 0.00 O ATOM 359 CB ASN A 23 2.264 -8.277 -0.051 1.00 0.00 C ATOM 360 CG ASN A 23 1.026 -8.945 -0.611 1.00 0.00 C ATOM 361 OD1 ASN A 23 0.849 -9.038 -1.825 1.00 0.00 O ATOM 362 ND2 ASN A 23 0.158 -9.415 0.278 1.00 0.00 N ATOM 0 H ASN A 23 3.770 -7.687 2.411 1.00 0.00 H new ATOM 0 HA ASN A 23 2.234 -9.925 1.323 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.011 -7.272 0.287 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.006 -8.170 -0.842 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.696 -9.875 -0.037 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.346 -9.316 1.276 1.00 0.00 H new ATOM 369 N GLU A 24 4.292 -10.595 -0.121 1.00 0.00 N ATOM 370 CA GLU A 24 5.547 -11.183 -0.574 1.00 0.00 C ATOM 371 C GLU A 24 6.161 -10.370 -1.711 1.00 0.00 C ATOM 372 O GLU A 24 7.354 -10.481 -1.995 1.00 0.00 O ATOM 373 CB GLU A 24 5.310 -12.619 -1.045 1.00 0.00 C ATOM 374 CG GLU A 24 4.408 -12.715 -2.266 1.00 0.00 C ATOM 375 CD GLU A 24 3.765 -14.079 -2.409 1.00 0.00 C ATOM 376 OE1 GLU A 24 2.842 -14.387 -1.626 1.00 0.00 O ATOM 377 OE2 GLU A 24 4.185 -14.842 -3.304 1.00 0.00 O ATOM 0 H GLU A 24 3.459 -11.035 -0.511 1.00 0.00 H new ATOM 0 HA GLU A 24 6.242 -11.180 0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.270 -13.081 -1.275 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.868 -13.192 -0.230 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.629 -11.955 -2.198 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.990 -12.496 -3.161 1.00 0.00 H new ATOM 384 N ILE A 25 5.334 -9.562 -2.368 1.00 0.00 N ATOM 385 CA ILE A 25 5.788 -8.741 -3.482 1.00 0.00 C ATOM 386 C ILE A 25 5.684 -7.251 -3.166 1.00 0.00 C ATOM 387 O ILE A 25 6.105 -6.412 -3.962 1.00 0.00 O ATOM 388 CB ILE A 25 4.971 -9.040 -4.749 1.00 0.00 C ATOM 389 CG1 ILE A 25 3.472 -8.953 -4.442 1.00 0.00 C ATOM 390 CG2 ILE A 25 5.336 -10.414 -5.290 1.00 0.00 C ATOM 391 CD1 ILE A 25 2.587 -9.443 -5.566 1.00 0.00 C ATOM 0 H ILE A 25 4.344 -9.459 -2.146 1.00 0.00 H new ATOM 0 HA ILE A 25 6.835 -8.991 -3.651 1.00 0.00 H new ATOM 0 HB ILE A 25 5.206 -8.297 -5.511 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.260 -9.536 -3.546 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.217 -7.918 -4.217 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.753 -10.618 -6.188 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.398 -10.439 -5.534 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.119 -11.171 -4.536 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.541 -9.350 -5.273 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.768 -8.845 -6.459 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.813 -10.488 -5.777 1.00 0.00 H new ATOM 403 N GLY A 26 5.126 -6.929 -2.007 1.00 0.00 N ATOM 404 CA GLY A 26 4.981 -5.542 -1.617 1.00 0.00 C ATOM 405 C GLY A 26 4.031 -5.373 -0.451 1.00 0.00 C ATOM 406 O GLY A 26 4.228 -5.972 0.608 1.00 0.00 O ATOM 0 H GLY A 26 4.771 -7.604 -1.330 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.957 -5.137 -1.350 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.618 -4.963 -2.466 1.00 0.00 H new ATOM 410 N CYS A 27 2.998 -4.563 -0.640 1.00 0.00 N ATOM 411 CA CYS A 27 2.020 -4.329 0.413 1.00 0.00 C ATOM 412 C CYS A 27 0.606 -4.256 -0.152 1.00 0.00 C ATOM 413 O CYS A 27 0.227 -3.264 -0.775 1.00 0.00 O ATOM 414 CB CYS A 27 2.352 -3.040 1.168 1.00 0.00 C ATOM 415 SG CYS A 27 3.164 -3.309 2.759 1.00 0.00 S ATOM 0 H CYS A 27 2.816 -4.059 -1.508 1.00 0.00 H new ATOM 0 HA CYS A 27 2.065 -5.170 1.105 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.996 -2.421 0.543 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.432 -2.479 1.332 1.00 0.00 H new ATOM 0 HG CYS A 27 2.503 -2.693 3.693 1.00 0.00 H new ATOM 421 N THR A 28 -0.174 -5.308 0.077 1.00 0.00 N ATOM 422 CA THR A 28 -1.550 -5.356 -0.401 1.00 0.00 C ATOM 423 C THR A 28 -2.425 -4.386 0.385 1.00 0.00 C ATOM 424 O THR A 28 -2.437 -4.405 1.616 1.00 0.00 O ATOM 425 CB THR A 28 -2.113 -6.774 -0.277 1.00 0.00 C ATOM 426 OG1 THR A 28 -1.333 -7.691 -1.022 1.00 0.00 O ATOM 427 CG2 THR A 28 -3.545 -6.891 -0.755 1.00 0.00 C ATOM 0 H THR A 28 0.124 -6.138 0.590 1.00 0.00 H new ATOM 0 HA THR A 28 -1.553 -5.064 -1.451 1.00 0.00 H new ATOM 0 HB THR A 28 -2.082 -7.006 0.788 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.922 -8.337 -1.466 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.884 -7.921 -0.640 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.181 -6.232 -0.164 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.603 -6.605 -1.805 1.00 0.00 H new ATOM 435 N ILE A 29 -3.161 -3.545 -0.331 1.00 0.00 N ATOM 436 CA ILE A 29 -4.040 -2.575 0.308 1.00 0.00 C ATOM 437 C ILE A 29 -5.248 -3.268 0.927 1.00 0.00 C ATOM 438 O ILE A 29 -6.167 -3.685 0.222 1.00 0.00 O ATOM 439 CB ILE A 29 -4.522 -1.508 -0.694 1.00 0.00 C ATOM 440 CG1 ILE A 29 -3.331 -0.901 -1.440 1.00 0.00 C ATOM 441 CG2 ILE A 29 -5.314 -0.425 0.024 1.00 0.00 C ATOM 442 CD1 ILE A 29 -3.695 -0.318 -2.787 1.00 0.00 C ATOM 0 H ILE A 29 -3.167 -3.515 -1.351 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.464 -2.083 1.092 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.177 -1.985 -1.423 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.886 -0.120 -0.823 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.570 -1.669 -1.579 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.647 0.321 -0.698 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.181 -0.871 0.512 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.682 0.052 0.773 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.803 0.094 -3.258 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.112 -1.100 -3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.433 0.473 -2.654 1.00 0.00 H new ATOM 454 N ALA A 30 -5.239 -3.389 2.249 1.00 0.00 N ATOM 455 CA ALA A 30 -6.333 -4.032 2.963 1.00 0.00 C ATOM 456 C ALA A 30 -7.595 -3.179 2.920 1.00 0.00 C ATOM 457 O ALA A 30 -8.708 -3.701 2.959 1.00 0.00 O ATOM 458 CB ALA A 30 -5.931 -4.312 4.404 1.00 0.00 C ATOM 0 H ALA A 30 -4.486 -3.050 2.847 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.550 -4.978 2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.759 -4.793 4.926 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.062 -4.970 4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.684 -3.374 4.902 1.00 0.00 H new ATOM 464 N ASP A 31 -7.413 -1.864 2.838 1.00 0.00 N ATOM 465 CA ASP A 31 -8.542 -0.944 2.789 1.00 0.00 C ATOM 466 C ASP A 31 -8.150 0.363 2.116 1.00 0.00 C ATOM 467 O ASP A 31 -6.966 0.661 1.956 1.00 0.00 O ATOM 468 CB ASP A 31 -9.062 -0.661 4.199 1.00 0.00 C ATOM 469 CG ASP A 31 -10.283 -1.492 4.543 1.00 0.00 C ATOM 470 OD1 ASP A 31 -10.133 -2.716 4.732 1.00 0.00 O ATOM 471 OD2 ASP A 31 -11.388 -0.915 4.623 1.00 0.00 O ATOM 0 H ASP A 31 -6.498 -1.414 2.804 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.332 -1.415 2.204 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.272 -0.864 4.922 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.310 0.397 4.286 1.00 0.00 H new ATOM 476 N LEU A 32 -9.151 1.139 1.727 1.00 0.00 N ATOM 477 CA LEU A 32 -8.913 2.411 1.075 1.00 0.00 C ATOM 478 C LEU A 32 -10.039 3.394 1.356 1.00 0.00 C ATOM 479 O LEU A 32 -11.214 3.086 1.163 1.00 0.00 O ATOM 480 CB LEU A 32 -8.755 2.209 -0.430 1.00 0.00 C ATOM 481 CG LEU A 32 -7.436 2.721 -0.995 1.00 0.00 C ATOM 482 CD1 LEU A 32 -6.758 1.657 -1.849 1.00 0.00 C ATOM 483 CD2 LEU A 32 -7.654 3.997 -1.794 1.00 0.00 C ATOM 0 H LEU A 32 -10.136 0.906 1.853 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.991 2.830 1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.845 1.146 -0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.576 2.713 -0.941 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.776 2.950 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.819 2.048 -2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.558 0.775 -1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.411 1.385 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.700 4.346 -2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.337 3.797 -2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.081 4.763 -1.147 1.00 0.00 H new ATOM 495 N ILE A 33 -9.664 4.586 1.803 1.00 0.00 N ATOM 496 CA ILE A 33 -10.635 5.626 2.098 1.00 0.00 C ATOM 497 C ILE A 33 -10.624 6.687 1.004 1.00 0.00 C ATOM 498 O ILE A 33 -9.752 7.553 0.966 1.00 0.00 O ATOM 499 CB ILE A 33 -10.360 6.282 3.468 1.00 0.00 C ATOM 500 CG1 ILE A 33 -8.919 6.790 3.556 1.00 0.00 C ATOM 501 CG2 ILE A 33 -10.647 5.305 4.585 1.00 0.00 C ATOM 502 CD1 ILE A 33 -8.546 7.327 4.921 1.00 0.00 C ATOM 0 H ILE A 33 -8.694 4.854 1.968 1.00 0.00 H new ATOM 0 HA ILE A 33 -11.619 5.159 2.136 1.00 0.00 H new ATOM 0 HB ILE A 33 -11.025 7.139 3.573 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.240 5.978 3.297 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.774 7.575 2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.449 5.781 5.545 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.692 4.999 4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.007 4.429 4.476 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.511 7.669 4.907 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.200 8.161 5.175 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.658 6.539 5.665 1.00 0.00 H new ATOM 514 N GLN A 34 -11.596 6.600 0.105 1.00 0.00 N ATOM 515 CA GLN A 34 -11.696 7.539 -1.004 1.00 0.00 C ATOM 516 C GLN A 34 -12.151 8.912 -0.521 1.00 0.00 C ATOM 517 O GLN A 34 -12.712 9.044 0.566 1.00 0.00 O ATOM 518 CB GLN A 34 -12.656 6.995 -2.061 1.00 0.00 C ATOM 519 CG GLN A 34 -12.295 5.594 -2.534 1.00 0.00 C ATOM 520 CD GLN A 34 -13.345 4.999 -3.450 1.00 0.00 C ATOM 521 OE1 GLN A 34 -14.543 5.104 -3.193 1.00 0.00 O ATOM 522 NE2 GLN A 34 -12.897 4.366 -4.529 1.00 0.00 N ATOM 0 H GLN A 34 -12.326 5.888 0.122 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.708 7.655 -1.449 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.667 6.985 -1.654 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.664 7.670 -2.917 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.339 5.626 -3.056 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.164 4.945 -1.668 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.894 4.303 -4.703 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.556 3.943 -5.183 1.00 0.00 H new ATOM 531 N GLY A 35 -11.889 9.932 -1.331 1.00 0.00 N ATOM 532 CA GLY A 35 -12.261 11.285 -0.962 1.00 0.00 C ATOM 533 C GLY A 35 -11.135 12.014 -0.253 1.00 0.00 C ATOM 534 O GLY A 35 -11.170 13.235 -0.106 1.00 0.00 O ATOM 0 H GLY A 35 -11.426 9.846 -2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.544 11.839 -1.857 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.137 11.256 -0.315 1.00 0.00 H new ATOM 538 N GLN A 36 -10.132 11.258 0.188 1.00 0.00 N ATOM 539 CA GLN A 36 -8.985 11.825 0.884 1.00 0.00 C ATOM 540 C GLN A 36 -7.976 12.392 -0.103 1.00 0.00 C ATOM 541 O GLN A 36 -7.428 13.474 0.107 1.00 0.00 O ATOM 542 CB GLN A 36 -8.336 10.760 1.778 1.00 0.00 C ATOM 543 CG GLN A 36 -8.244 11.139 3.254 1.00 0.00 C ATOM 544 CD GLN A 36 -7.933 12.606 3.499 1.00 0.00 C ATOM 545 OE1 GLN A 36 -7.724 13.378 2.566 1.00 0.00 O ATOM 546 NE2 GLN A 36 -7.905 12.997 4.768 1.00 0.00 N ATOM 0 H GLN A 36 -10.093 10.245 0.073 1.00 0.00 H new ATOM 0 HA GLN A 36 -9.330 12.646 1.513 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.904 9.834 1.689 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.332 10.555 1.406 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.187 10.892 3.741 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.473 10.531 3.727 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.084 12.324 5.513 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.704 13.970 4.997 1.00 0.00 H new ATOM 555 N TYR A 37 -7.747 11.668 -1.185 1.00 0.00 N ATOM 556 CA TYR A 37 -6.813 12.113 -2.207 1.00 0.00 C ATOM 557 C TYR A 37 -7.373 11.818 -3.598 1.00 0.00 C ATOM 558 O TYR A 37 -7.921 10.743 -3.841 1.00 0.00 O ATOM 559 CB TYR A 37 -5.458 11.426 -2.016 1.00 0.00 C ATOM 560 CG TYR A 37 -4.424 12.251 -1.267 1.00 0.00 C ATOM 561 CD1 TYR A 37 -4.436 13.646 -1.291 1.00 0.00 C ATOM 562 CD2 TYR A 37 -3.408 11.623 -0.556 1.00 0.00 C ATOM 563 CE1 TYR A 37 -3.468 14.378 -0.627 1.00 0.00 C ATOM 564 CE2 TYR A 37 -2.433 12.348 0.103 1.00 0.00 C ATOM 565 CZ TYR A 37 -2.468 13.726 0.065 1.00 0.00 C ATOM 566 OH TYR A 37 -1.501 14.454 0.717 1.00 0.00 O ATOM 0 H TYR A 37 -8.193 10.772 -1.379 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.672 13.190 -2.113 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.614 10.490 -1.479 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.056 11.168 -2.996 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.213 14.162 -1.836 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.380 10.544 -0.518 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.495 15.457 -0.650 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.649 11.839 0.644 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.687 14.479 0.171 1.00 0.00 H new ATOM 576 N PRO A 38 -7.258 12.781 -4.531 1.00 0.00 N ATOM 577 CA PRO A 38 -7.772 12.625 -5.896 1.00 0.00 C ATOM 578 C PRO A 38 -7.028 11.562 -6.699 1.00 0.00 C ATOM 579 O PRO A 38 -7.647 10.751 -7.391 1.00 0.00 O ATOM 580 CB PRO A 38 -7.560 14.007 -6.519 1.00 0.00 C ATOM 581 CG PRO A 38 -6.468 14.627 -5.719 1.00 0.00 C ATOM 582 CD PRO A 38 -6.633 14.100 -4.322 1.00 0.00 C ATOM 0 HA PRO A 38 -8.810 12.293 -5.893 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.283 13.928 -7.570 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.471 14.604 -6.474 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.490 14.364 -6.123 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.539 15.715 -5.737 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.676 14.015 -3.808 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.263 14.753 -3.717 1.00 0.00 H new ATOM 590 N GLU A 39 -5.704 11.569 -6.614 1.00 0.00 N ATOM 591 CA GLU A 39 -4.891 10.602 -7.345 1.00 0.00 C ATOM 592 C GLU A 39 -5.149 9.186 -6.846 1.00 0.00 C ATOM 593 O GLU A 39 -5.449 8.289 -7.632 1.00 0.00 O ATOM 594 CB GLU A 39 -3.406 10.942 -7.209 1.00 0.00 C ATOM 595 CG GLU A 39 -2.904 11.911 -8.268 1.00 0.00 C ATOM 596 CD GLU A 39 -2.436 11.206 -9.526 1.00 0.00 C ATOM 597 OE1 GLU A 39 -3.060 10.193 -9.906 1.00 0.00 O ATOM 598 OE2 GLU A 39 -1.444 11.666 -10.130 1.00 0.00 O ATOM 0 H GLU A 39 -5.171 12.230 -6.049 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.171 10.653 -8.397 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.229 11.371 -6.223 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.824 10.022 -7.265 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.700 12.610 -8.522 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.083 12.499 -7.858 1.00 0.00 H new ATOM 605 N ILE A 40 -5.030 8.993 -5.539 1.00 0.00 N ATOM 606 CA ILE A 40 -5.251 7.682 -4.939 1.00 0.00 C ATOM 607 C ILE A 40 -6.620 7.129 -5.320 1.00 0.00 C ATOM 608 O ILE A 40 -6.742 5.976 -5.736 1.00 0.00 O ATOM 609 CB ILE A 40 -5.140 7.740 -3.405 1.00 0.00 C ATOM 610 CG1 ILE A 40 -3.873 8.498 -2.993 1.00 0.00 C ATOM 611 CG2 ILE A 40 -5.150 6.330 -2.826 1.00 0.00 C ATOM 612 CD1 ILE A 40 -3.498 8.315 -1.540 1.00 0.00 C ATOM 0 H ILE A 40 -4.782 9.726 -4.874 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.475 7.021 -5.325 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.999 8.278 -3.005 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.043 8.166 -3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.016 9.560 -3.191 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.071 6.382 -1.740 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.080 5.831 -3.099 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.306 5.767 -3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.592 8.881 -1.324 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.310 8.674 -0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.322 7.258 -1.340 1.00 0.00 H new ATOM 624 N ASP A 41 -7.647 7.961 -5.180 1.00 0.00 N ATOM 625 CA ASP A 41 -9.006 7.557 -5.519 1.00 0.00 C ATOM 626 C ASP A 41 -9.117 7.248 -7.009 1.00 0.00 C ATOM 627 O ASP A 41 -9.918 6.409 -7.422 1.00 0.00 O ATOM 628 CB ASP A 41 -9.997 8.660 -5.139 1.00 0.00 C ATOM 629 CG ASP A 41 -11.440 8.211 -5.270 1.00 0.00 C ATOM 630 OD1 ASP A 41 -11.724 7.032 -4.970 1.00 0.00 O ATOM 631 OD2 ASP A 41 -12.285 9.039 -5.673 1.00 0.00 O ATOM 0 H ASP A 41 -7.564 8.917 -4.835 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.247 6.655 -4.957 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.809 8.976 -4.113 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.831 9.529 -5.775 1.00 0.00 H new ATOM 636 N SER A 42 -8.304 7.930 -7.808 1.00 0.00 N ATOM 637 CA SER A 42 -8.300 7.735 -9.253 1.00 0.00 C ATOM 638 C SER A 42 -7.193 6.774 -9.679 1.00 0.00 C ATOM 639 O SER A 42 -6.985 6.544 -10.869 1.00 0.00 O ATOM 640 CB SER A 42 -8.110 9.075 -9.961 1.00 0.00 C ATOM 641 OG SER A 42 -9.330 9.793 -10.037 1.00 0.00 O ATOM 0 H SER A 42 -7.636 8.626 -7.477 1.00 0.00 H new ATOM 0 HA SER A 42 -9.260 7.302 -9.535 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.368 9.669 -9.427 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.721 8.907 -10.965 1.00 0.00 H new ATOM 0 HG SER A 42 -9.179 10.647 -10.493 1.00 0.00 H new ATOM 647 N LYS A 43 -6.473 6.228 -8.703 1.00 0.00 N ATOM 648 CA LYS A 43 -5.379 5.311 -8.988 1.00 0.00 C ATOM 649 C LYS A 43 -5.471 4.053 -8.133 1.00 0.00 C ATOM 650 O LYS A 43 -5.814 2.979 -8.628 1.00 0.00 O ATOM 651 CB LYS A 43 -4.043 6.014 -8.743 1.00 0.00 C ATOM 652 CG LYS A 43 -3.683 7.014 -9.828 1.00 0.00 C ATOM 653 CD LYS A 43 -2.421 6.615 -10.577 1.00 0.00 C ATOM 654 CE LYS A 43 -2.714 6.308 -12.037 1.00 0.00 C ATOM 655 NZ LYS A 43 -1.596 6.728 -12.928 1.00 0.00 N ATOM 0 H LYS A 43 -6.629 6.405 -7.711 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.449 5.010 -10.033 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.082 6.528 -7.783 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.254 5.265 -8.672 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.511 7.098 -10.532 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.543 7.998 -9.381 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.689 7.420 -10.513 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.976 5.741 -10.102 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.890 5.239 -12.155 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.629 6.817 -12.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.729 6.311 -13.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.585 7.765 -13.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.693 6.401 -12.529 1.00 0.00 H new ATOM 669 N LEU A 44 -5.157 4.188 -6.850 1.00 0.00 N ATOM 670 CA LEU A 44 -5.195 3.058 -5.931 1.00 0.00 C ATOM 671 C LEU A 44 -6.629 2.647 -5.615 1.00 0.00 C ATOM 672 O LEU A 44 -7.539 3.475 -5.603 1.00 0.00 O ATOM 673 CB LEU A 44 -4.452 3.399 -4.639 1.00 0.00 C ATOM 674 CG LEU A 44 -2.979 3.766 -4.819 1.00 0.00 C ATOM 675 CD1 LEU A 44 -2.303 3.937 -3.470 1.00 0.00 C ATOM 676 CD2 LEU A 44 -2.261 2.707 -5.645 1.00 0.00 C ATOM 0 H LEU A 44 -4.873 5.070 -6.423 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.701 2.217 -6.417 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.962 4.231 -4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.519 2.546 -3.963 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.925 4.714 -5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.255 4.198 -3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.799 4.731 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.369 3.005 -2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.214 2.985 -5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.326 1.744 -5.138 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.729 2.632 -6.627 1.00 0.00 H new ATOM 688 N GLN A 45 -6.817 1.357 -5.356 1.00 0.00 N ATOM 689 CA GLN A 45 -8.134 0.820 -5.034 1.00 0.00 C ATOM 690 C GLN A 45 -8.005 -0.439 -4.182 1.00 0.00 C ATOM 691 O GLN A 45 -6.952 -1.076 -4.156 1.00 0.00 O ATOM 692 CB GLN A 45 -8.909 0.510 -6.317 1.00 0.00 C ATOM 693 CG GLN A 45 -9.900 1.595 -6.705 1.00 0.00 C ATOM 694 CD GLN A 45 -9.810 1.972 -8.171 1.00 0.00 C ATOM 695 OE1 GLN A 45 -8.781 2.467 -8.634 1.00 0.00 O ATOM 696 NE2 GLN A 45 -10.887 1.740 -8.911 1.00 0.00 N ATOM 0 H GLN A 45 -6.071 0.662 -5.363 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.682 1.571 -4.464 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.201 0.367 -7.134 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.444 -0.431 -6.190 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.911 1.254 -6.483 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.721 2.480 -6.095 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.718 1.328 -8.487 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.883 1.973 -9.904 1.00 0.00 H new ATOM 705 N ARG A 46 -9.080 -0.793 -3.487 1.00 0.00 N ATOM 706 CA ARG A 46 -9.082 -1.976 -2.633 1.00 0.00 C ATOM 707 C ARG A 46 -8.776 -3.232 -3.443 1.00 0.00 C ATOM 708 O ARG A 46 -9.625 -3.728 -4.184 1.00 0.00 O ATOM 709 CB ARG A 46 -10.433 -2.121 -1.929 1.00 0.00 C ATOM 710 CG ARG A 46 -10.471 -1.486 -0.549 1.00 0.00 C ATOM 711 CD ARG A 46 -11.799 -1.741 0.147 1.00 0.00 C ATOM 712 NE ARG A 46 -12.647 -0.550 0.166 1.00 0.00 N ATOM 713 CZ ARG A 46 -13.753 -0.440 0.897 1.00 0.00 C ATOM 714 NH1 ARG A 46 -14.149 -1.443 1.670 1.00 0.00 N ATOM 715 NH2 ARG A 46 -14.466 0.678 0.856 1.00 0.00 N ATOM 0 H ARG A 46 -9.961 -0.279 -3.498 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.302 -1.853 -1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.207 -1.669 -2.549 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.675 -3.180 -1.839 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.659 -1.885 0.058 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.306 -0.412 -0.637 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.324 -2.551 -0.359 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.615 -2.071 1.169 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.375 0.243 -0.415 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.604 -2.305 1.706 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.998 -1.352 2.228 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.166 1.453 0.264 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.314 0.763 1.416 1.00 0.00 H new ATOM 729 N GLY A 47 -7.556 -3.742 -3.296 1.00 0.00 N ATOM 730 CA GLY A 47 -7.158 -4.936 -4.019 1.00 0.00 C ATOM 731 C GLY A 47 -5.924 -4.716 -4.873 1.00 0.00 C ATOM 732 O GLY A 47 -5.822 -5.254 -5.975 1.00 0.00 O ATOM 0 H GLY A 47 -6.837 -3.349 -2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.965 -5.739 -3.308 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.981 -5.263 -4.654 1.00 0.00 H new ATOM 736 N ASP A 48 -4.987 -3.925 -4.362 1.00 0.00 N ATOM 737 CA ASP A 48 -3.752 -3.636 -5.085 1.00 0.00 C ATOM 738 C ASP A 48 -2.540 -3.802 -4.174 1.00 0.00 C ATOM 739 O ASP A 48 -2.571 -3.411 -3.008 1.00 0.00 O ATOM 740 CB ASP A 48 -3.792 -2.216 -5.653 1.00 0.00 C ATOM 741 CG ASP A 48 -4.209 -2.187 -7.110 1.00 0.00 C ATOM 742 OD1 ASP A 48 -3.391 -2.572 -7.970 1.00 0.00 O ATOM 743 OD2 ASP A 48 -5.356 -1.776 -7.390 1.00 0.00 O ATOM 0 H ASP A 48 -5.058 -3.472 -3.451 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.664 -4.345 -5.908 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.486 -1.613 -5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.808 -1.759 -5.551 1.00 0.00 H new ATOM 748 N ILE A 49 -1.474 -4.384 -4.712 1.00 0.00 N ATOM 749 CA ILE A 49 -0.254 -4.601 -3.942 1.00 0.00 C ATOM 750 C ILE A 49 0.875 -3.710 -4.446 1.00 0.00 C ATOM 751 O ILE A 49 1.312 -3.840 -5.589 1.00 0.00 O ATOM 752 CB ILE A 49 0.217 -6.071 -4.015 1.00 0.00 C ATOM 753 CG1 ILE A 49 -0.978 -7.026 -4.083 1.00 0.00 C ATOM 754 CG2 ILE A 49 1.103 -6.403 -2.824 1.00 0.00 C ATOM 755 CD1 ILE A 49 -0.612 -8.419 -4.548 1.00 0.00 C ATOM 0 H ILE A 49 -1.429 -4.714 -5.676 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.493 -4.352 -2.908 1.00 0.00 H new ATOM 0 HB ILE A 49 0.800 -6.198 -4.927 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.438 -7.090 -3.097 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.727 -6.611 -4.758 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.427 -7.442 -2.890 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.976 -5.750 -2.827 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.542 -6.255 -1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.507 -9.041 -4.572 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.179 -8.367 -5.547 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.114 -8.853 -3.860 1.00 0.00 H new ATOM 767 N ILE A 50 1.356 -2.816 -3.591 1.00 0.00 N ATOM 768 CA ILE A 50 2.442 -1.926 -3.967 1.00 0.00 C ATOM 769 C ILE A 50 3.772 -2.662 -3.930 1.00 0.00 C ATOM 770 O ILE A 50 4.361 -2.854 -2.866 1.00 0.00 O ATOM 771 CB ILE A 50 2.515 -0.694 -3.045 1.00 0.00 C ATOM 772 CG1 ILE A 50 1.166 0.023 -3.020 1.00 0.00 C ATOM 773 CG2 ILE A 50 3.614 0.257 -3.501 1.00 0.00 C ATOM 774 CD1 ILE A 50 0.895 0.752 -1.728 1.00 0.00 C ATOM 0 H ILE A 50 1.012 -2.690 -2.639 1.00 0.00 H new ATOM 0 HA ILE A 50 2.240 -1.584 -4.982 1.00 0.00 H new ATOM 0 HB ILE A 50 2.754 -1.030 -2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.127 0.735 -3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.373 -0.706 -3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.648 1.120 -2.836 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.574 -0.258 -3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.408 0.591 -4.518 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.079 1.237 -1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.902 0.042 -0.901 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.667 1.505 -1.566 1.00 0.00 H new ATOM 786 N THR A 51 4.238 -3.071 -5.101 1.00 0.00 N ATOM 787 CA THR A 51 5.500 -3.793 -5.214 1.00 0.00 C ATOM 788 C THR A 51 6.655 -2.842 -5.526 1.00 0.00 C ATOM 789 O THR A 51 7.803 -3.267 -5.654 1.00 0.00 O ATOM 790 CB THR A 51 5.394 -4.876 -6.292 1.00 0.00 C ATOM 791 OG1 THR A 51 5.562 -4.319 -7.583 1.00 0.00 O ATOM 792 CG2 THR A 51 4.071 -5.613 -6.277 1.00 0.00 C ATOM 0 H THR A 51 3.761 -2.915 -5.989 1.00 0.00 H new ATOM 0 HA THR A 51 5.707 -4.267 -4.254 1.00 0.00 H new ATOM 0 HB THR A 51 6.188 -5.587 -6.063 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.492 -5.027 -8.257 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.065 -6.365 -7.066 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.936 -6.099 -5.311 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.259 -4.906 -6.443 1.00 0.00 H new ATOM 800 N LYS A 52 6.345 -1.553 -5.635 1.00 0.00 N ATOM 801 CA LYS A 52 7.352 -0.537 -5.914 1.00 0.00 C ATOM 802 C LYS A 52 6.963 0.778 -5.253 1.00 0.00 C ATOM 803 O LYS A 52 5.786 1.135 -5.204 1.00 0.00 O ATOM 804 CB LYS A 52 7.523 -0.343 -7.423 1.00 0.00 C ATOM 805 CG LYS A 52 8.878 -0.795 -7.942 1.00 0.00 C ATOM 806 CD LYS A 52 9.722 0.381 -8.404 1.00 0.00 C ATOM 807 CE LYS A 52 11.032 -0.082 -9.024 1.00 0.00 C ATOM 808 NZ LYS A 52 11.419 0.754 -10.196 1.00 0.00 N ATOM 0 H LYS A 52 5.398 -1.187 -5.533 1.00 0.00 H new ATOM 0 HA LYS A 52 8.305 -0.872 -5.503 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.741 -0.895 -7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.383 0.711 -7.664 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.406 -1.336 -7.157 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.738 -1.490 -8.770 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.162 0.969 -9.131 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.930 1.036 -7.558 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.822 -0.044 -8.274 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.938 -1.122 -9.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.443 0.672 -10.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.907 0.427 -11.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.177 1.748 -10.008 1.00 0.00 H new ATOM 822 N PHE A 53 7.953 1.493 -4.733 1.00 0.00 N ATOM 823 CA PHE A 53 7.700 2.762 -4.064 1.00 0.00 C ATOM 824 C PHE A 53 8.844 3.744 -4.300 1.00 0.00 C ATOM 825 O PHE A 53 9.939 3.579 -3.762 1.00 0.00 O ATOM 826 CB PHE A 53 7.502 2.517 -2.567 1.00 0.00 C ATOM 827 CG PHE A 53 7.295 3.768 -1.766 1.00 0.00 C ATOM 828 CD1 PHE A 53 8.379 4.520 -1.348 1.00 0.00 C ATOM 829 CD2 PHE A 53 6.019 4.188 -1.429 1.00 0.00 C ATOM 830 CE1 PHE A 53 8.195 5.670 -0.606 1.00 0.00 C ATOM 831 CE2 PHE A 53 5.828 5.337 -0.688 1.00 0.00 C ATOM 832 CZ PHE A 53 6.918 6.079 -0.277 1.00 0.00 C ATOM 0 H PHE A 53 8.935 1.217 -4.762 1.00 0.00 H new ATOM 0 HA PHE A 53 6.795 3.204 -4.480 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.642 1.862 -2.427 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.372 1.988 -2.178 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.379 4.204 -1.605 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.164 3.611 -1.749 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.048 6.248 -0.284 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.829 5.655 -0.430 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.771 6.979 0.302 1.00 0.00 H new ATOM 842 N ASN A 54 8.580 4.766 -5.112 1.00 0.00 N ATOM 843 CA ASN A 54 9.585 5.777 -5.425 1.00 0.00 C ATOM 844 C ASN A 54 10.881 5.128 -5.906 1.00 0.00 C ATOM 845 O ASN A 54 11.957 5.383 -5.364 1.00 0.00 O ATOM 846 CB ASN A 54 9.858 6.651 -4.197 1.00 0.00 C ATOM 847 CG ASN A 54 9.034 7.923 -4.198 1.00 0.00 C ATOM 848 OD1 ASN A 54 9.116 8.728 -5.126 1.00 0.00 O ATOM 849 ND2 ASN A 54 8.234 8.111 -3.156 1.00 0.00 N ATOM 0 H ASN A 54 7.678 4.915 -5.565 1.00 0.00 H new ATOM 0 HA ASN A 54 9.198 6.404 -6.228 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.641 6.081 -3.293 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.917 6.907 -4.165 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.655 8.949 -3.102 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.198 7.417 -2.409 1.00 0.00 H new ATOM 856 N GLY A 55 10.766 4.281 -6.923 1.00 0.00 N ATOM 857 CA GLY A 55 11.934 3.603 -7.454 1.00 0.00 C ATOM 858 C GLY A 55 12.554 2.651 -6.451 1.00 0.00 C ATOM 859 O GLY A 55 13.737 2.327 -6.541 1.00 0.00 O ATOM 0 H GLY A 55 9.888 4.052 -7.388 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.654 3.050 -8.351 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.675 4.343 -7.755 1.00 0.00 H new ATOM 863 N ASP A 56 11.750 2.200 -5.490 1.00 0.00 N ATOM 864 CA ASP A 56 12.226 1.280 -4.463 1.00 0.00 C ATOM 865 C ASP A 56 11.383 0.008 -4.449 1.00 0.00 C ATOM 866 O ASP A 56 10.261 0.001 -3.943 1.00 0.00 O ATOM 867 CB ASP A 56 12.184 1.949 -3.088 1.00 0.00 C ATOM 868 CG ASP A 56 13.193 1.354 -2.126 1.00 0.00 C ATOM 869 OD1 ASP A 56 13.384 0.119 -2.156 1.00 0.00 O ATOM 870 OD2 ASP A 56 13.790 2.121 -1.342 1.00 0.00 O ATOM 0 H ASP A 56 10.767 2.457 -5.402 1.00 0.00 H new ATOM 0 HA ASP A 56 13.257 1.013 -4.695 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.378 3.016 -3.200 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.183 1.849 -2.668 1.00 0.00 H new ATOM 875 N ALA A 57 11.932 -1.064 -5.008 1.00 0.00 N ATOM 876 CA ALA A 57 11.232 -2.341 -5.064 1.00 0.00 C ATOM 877 C ALA A 57 10.818 -2.808 -3.673 1.00 0.00 C ATOM 878 O ALA A 57 11.664 -3.132 -2.840 1.00 0.00 O ATOM 879 CB ALA A 57 12.108 -3.390 -5.734 1.00 0.00 C ATOM 0 H ALA A 57 12.861 -1.074 -5.429 1.00 0.00 H new ATOM 0 HA ALA A 57 10.326 -2.203 -5.654 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.575 -4.340 -5.770 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.348 -3.070 -6.748 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.029 -3.513 -5.164 1.00 0.00 H new ATOM 885 N LEU A 58 9.512 -2.848 -3.432 1.00 0.00 N ATOM 886 CA LEU A 58 8.986 -3.286 -2.145 1.00 0.00 C ATOM 887 C LEU A 58 8.773 -4.802 -2.125 1.00 0.00 C ATOM 888 O LEU A 58 8.168 -5.339 -1.198 1.00 0.00 O ATOM 889 CB LEU A 58 7.668 -2.569 -1.835 1.00 0.00 C ATOM 890 CG LEU A 58 7.684 -1.052 -2.051 1.00 0.00 C ATOM 891 CD1 LEU A 58 6.268 -0.494 -2.055 1.00 0.00 C ATOM 892 CD2 LEU A 58 8.523 -0.369 -0.982 1.00 0.00 C ATOM 0 H LEU A 58 8.799 -2.582 -4.111 1.00 0.00 H new ATOM 0 HA LEU A 58 9.719 -3.032 -1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.883 -3.000 -2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.399 -2.769 -0.798 1.00 0.00 H new ATOM 0 HG LEU A 58 8.134 -0.851 -3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.302 0.584 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.696 -0.958 -2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.790 -0.708 -1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.523 0.708 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.103 -0.581 0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.546 -0.743 -1.028 1.00 0.00 H new ATOM 904 N GLU A 59 9.274 -5.486 -3.154 1.00 0.00 N ATOM 905 CA GLU A 59 9.137 -6.935 -3.251 1.00 0.00 C ATOM 906 C GLU A 59 9.963 -7.637 -2.179 1.00 0.00 C ATOM 907 O GLU A 59 11.041 -7.172 -1.806 1.00 0.00 O ATOM 908 CB GLU A 59 9.572 -7.416 -4.638 1.00 0.00 C ATOM 909 CG GLU A 59 8.991 -8.766 -5.023 1.00 0.00 C ATOM 910 CD GLU A 59 9.794 -9.458 -6.107 1.00 0.00 C ATOM 911 OE1 GLU A 59 9.856 -8.920 -7.233 1.00 0.00 O ATOM 912 OE2 GLU A 59 10.359 -10.537 -5.831 1.00 0.00 O ATOM 0 H GLU A 59 9.778 -5.058 -3.931 1.00 0.00 H new ATOM 0 HA GLU A 59 8.087 -7.185 -3.096 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.273 -6.676 -5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.660 -7.476 -4.668 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.951 -9.405 -4.141 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.965 -8.632 -5.366 1.00 0.00 H new ATOM 919 N GLY A 60 9.451 -8.761 -1.690 1.00 0.00 N ATOM 920 CA GLY A 60 10.152 -9.516 -0.667 1.00 0.00 C ATOM 921 C GLY A 60 10.465 -8.683 0.562 1.00 0.00 C ATOM 922 O GLY A 60 11.419 -8.969 1.285 1.00 0.00 O ATOM 0 H GLY A 60 8.561 -9.164 -1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.547 -10.374 -0.375 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.081 -9.908 -1.082 1.00 0.00 H new ATOM 926 N LEU A 61 9.661 -7.651 0.797 1.00 0.00 N ATOM 927 CA LEU A 61 9.861 -6.775 1.946 1.00 0.00 C ATOM 928 C LEU A 61 8.670 -6.849 2.900 1.00 0.00 C ATOM 929 O LEU A 61 7.534 -7.053 2.472 1.00 0.00 O ATOM 930 CB LEU A 61 10.074 -5.333 1.482 1.00 0.00 C ATOM 931 CG LEU A 61 11.476 -5.026 0.950 1.00 0.00 C ATOM 932 CD1 LEU A 61 11.601 -3.553 0.594 1.00 0.00 C ATOM 933 CD2 LEU A 61 12.530 -5.423 1.972 1.00 0.00 C ATOM 0 H LEU A 61 8.866 -7.401 0.208 1.00 0.00 H new ATOM 0 HA LEU A 61 10.750 -7.111 2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.348 -5.107 0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.863 -4.664 2.316 1.00 0.00 H new ATOM 0 HG LEU A 61 11.638 -5.611 0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.604 -3.354 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.869 -3.301 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.420 -2.947 1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.521 -5.198 1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.371 -4.865 2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.454 -6.491 2.177 1.00 0.00 H new ATOM 945 N PRO A 62 8.916 -6.681 4.210 1.00 0.00 N ATOM 946 CA PRO A 62 7.857 -6.730 5.225 1.00 0.00 C ATOM 947 C PRO A 62 6.907 -5.542 5.125 1.00 0.00 C ATOM 948 O PRO A 62 6.923 -4.803 4.141 1.00 0.00 O ATOM 949 CB PRO A 62 8.626 -6.685 6.548 1.00 0.00 C ATOM 950 CG PRO A 62 9.918 -6.022 6.215 1.00 0.00 C ATOM 951 CD PRO A 62 10.242 -6.431 4.806 1.00 0.00 C ATOM 0 HA PRO A 62 7.227 -7.613 5.113 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.078 -6.125 7.305 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.787 -7.687 6.946 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.833 -4.938 6.297 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.705 -6.333 6.902 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.781 -5.647 4.274 1.00 0.00 H new ATOM 0 HD3 PRO A 62 10.869 -7.322 4.780 1.00 0.00 H new ATOM 959 N PHE A 63 6.082 -5.363 6.151 1.00 0.00 N ATOM 960 CA PHE A 63 5.130 -4.260 6.177 1.00 0.00 C ATOM 961 C PHE A 63 5.677 -3.093 6.991 1.00 0.00 C ATOM 962 O PHE A 63 5.316 -1.940 6.757 1.00 0.00 O ATOM 963 CB PHE A 63 3.790 -4.718 6.758 1.00 0.00 C ATOM 964 CG PHE A 63 2.742 -3.637 6.801 1.00 0.00 C ATOM 965 CD1 PHE A 63 2.807 -2.546 5.944 1.00 0.00 C ATOM 966 CD2 PHE A 63 1.690 -3.713 7.698 1.00 0.00 C ATOM 967 CE1 PHE A 63 1.845 -1.556 5.984 1.00 0.00 C ATOM 968 CE2 PHE A 63 0.724 -2.725 7.742 1.00 0.00 C ATOM 969 CZ PHE A 63 0.802 -1.646 6.883 1.00 0.00 C ATOM 0 H PHE A 63 6.054 -5.966 6.973 1.00 0.00 H new ATOM 0 HA PHE A 63 4.973 -3.927 5.151 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.414 -5.552 6.165 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.952 -5.093 7.768 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.620 -2.471 5.237 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.623 -4.555 8.372 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.909 -0.712 5.313 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -0.091 -2.797 8.447 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.048 -0.874 6.915 1.00 0.00 H new ATOM 979 N GLN A 64 6.555 -3.393 7.941 1.00 0.00 N ATOM 980 CA GLN A 64 7.152 -2.358 8.776 1.00 0.00 C ATOM 981 C GLN A 64 7.864 -1.325 7.909 1.00 0.00 C ATOM 982 O GLN A 64 7.679 -0.119 8.079 1.00 0.00 O ATOM 983 CB GLN A 64 8.133 -2.976 9.774 1.00 0.00 C ATOM 984 CG GLN A 64 7.544 -4.126 10.574 1.00 0.00 C ATOM 985 CD GLN A 64 7.048 -3.692 11.940 1.00 0.00 C ATOM 986 OE1 GLN A 64 7.487 -2.675 12.478 1.00 0.00 O ATOM 987 NE2 GLN A 64 6.131 -4.465 12.508 1.00 0.00 N ATOM 0 H GLN A 64 6.868 -4.341 8.152 1.00 0.00 H new ATOM 0 HA GLN A 64 6.357 -1.861 9.332 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.011 -3.332 9.235 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.473 -2.202 10.462 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.719 -4.567 10.015 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.298 -4.903 10.695 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.796 -5.299 12.025 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.761 -4.226 13.428 1.00 0.00 H new ATOM 996 N VAL A 65 8.673 -1.809 6.972 1.00 0.00 N ATOM 997 CA VAL A 65 9.407 -0.931 6.071 1.00 0.00 C ATOM 998 C VAL A 65 8.455 -0.131 5.188 1.00 0.00 C ATOM 999 O VAL A 65 8.603 1.082 5.039 1.00 0.00 O ATOM 1000 CB VAL A 65 10.380 -1.723 5.174 1.00 0.00 C ATOM 1001 CG1 VAL A 65 11.496 -2.337 6.003 1.00 0.00 C ATOM 1002 CG2 VAL A 65 9.637 -2.796 4.390 1.00 0.00 C ATOM 0 H VAL A 65 8.836 -2.804 6.818 1.00 0.00 H new ATOM 0 HA VAL A 65 9.981 -0.248 6.697 1.00 0.00 H new ATOM 0 HB VAL A 65 10.828 -1.030 4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.171 -2.891 5.351 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.049 -1.547 6.511 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.069 -3.014 6.743 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.342 -3.343 3.764 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.157 -3.486 5.083 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.880 -2.328 3.761 1.00 0.00 H new ATOM 1012 N CYS A 66 7.475 -0.817 4.605 1.00 0.00 N ATOM 1013 CA CYS A 66 6.497 -0.168 3.737 1.00 0.00 C ATOM 1014 C CYS A 66 5.744 0.920 4.493 1.00 0.00 C ATOM 1015 O CYS A 66 5.695 2.072 4.062 1.00 0.00 O ATOM 1016 CB CYS A 66 5.512 -1.202 3.182 1.00 0.00 C ATOM 1017 SG CYS A 66 5.400 -1.217 1.377 1.00 0.00 S ATOM 0 H CYS A 66 7.337 -1.821 4.718 1.00 0.00 H new ATOM 0 HA CYS A 66 7.030 0.295 2.906 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.809 -2.193 3.525 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.523 -1.005 3.595 1.00 0.00 H new ATOM 0 HG CYS A 66 5.318 -2.445 0.957 1.00 0.00 H new ATOM 1023 N TYR A 67 5.164 0.552 5.628 1.00 0.00 N ATOM 1024 CA TYR A 67 4.420 1.500 6.447 1.00 0.00 C ATOM 1025 C TYR A 67 5.295 2.697 6.817 1.00 0.00 C ATOM 1026 O TYR A 67 4.800 3.809 6.992 1.00 0.00 O ATOM 1027 CB TYR A 67 3.909 0.821 7.718 1.00 0.00 C ATOM 1028 CG TYR A 67 2.776 1.570 8.382 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.502 1.568 7.830 1.00 0.00 C ATOM 1030 CD2 TYR A 67 2.982 2.284 9.555 1.00 0.00 C ATOM 1031 CE1 TYR A 67 0.464 2.256 8.427 1.00 0.00 C ATOM 1032 CE2 TYR A 67 1.948 2.974 10.160 1.00 0.00 C ATOM 1033 CZ TYR A 67 0.692 2.958 9.591 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.339 3.645 10.190 1.00 0.00 O ATOM 0 H TYR A 67 5.194 -0.396 6.002 1.00 0.00 H new ATOM 0 HA TYR A 67 3.569 1.854 5.866 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.575 -0.187 7.474 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.733 0.721 8.425 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.320 1.019 6.918 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.965 2.301 10.002 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.521 2.244 7.984 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.123 3.523 11.074 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.779 3.067 10.847 1.00 0.00 H new ATOM 1044 N ALA A 68 6.597 2.452 6.948 1.00 0.00 N ATOM 1045 CA ALA A 68 7.543 3.501 7.318 1.00 0.00 C ATOM 1046 C ALA A 68 7.805 4.481 6.177 1.00 0.00 C ATOM 1047 O ALA A 68 7.713 5.693 6.362 1.00 0.00 O ATOM 1048 CB ALA A 68 8.854 2.878 7.770 1.00 0.00 C ATOM 0 H ALA A 68 7.021 1.536 6.803 1.00 0.00 H new ATOM 0 HA ALA A 68 7.094 4.066 8.135 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.556 3.666 8.045 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.674 2.236 8.632 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.274 2.285 6.958 1.00 0.00 H new ATOM 1054 N LEU A 69 8.138 3.960 4.998 1.00 0.00 N ATOM 1055 CA LEU A 69 8.412 4.820 3.850 1.00 0.00 C ATOM 1056 C LEU A 69 7.135 5.502 3.383 1.00 0.00 C ATOM 1057 O LEU A 69 7.157 6.654 2.948 1.00 0.00 O ATOM 1058 CB LEU A 69 9.043 4.025 2.703 1.00 0.00 C ATOM 1059 CG LEU A 69 8.375 2.686 2.394 1.00 0.00 C ATOM 1060 CD1 LEU A 69 7.706 2.721 1.029 1.00 0.00 C ATOM 1061 CD2 LEU A 69 9.393 1.556 2.463 1.00 0.00 C ATOM 0 H LEU A 69 8.224 2.960 4.814 1.00 0.00 H new ATOM 0 HA LEU A 69 9.124 5.584 4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.023 4.639 1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.091 3.843 2.942 1.00 0.00 H new ATOM 0 HG LEU A 69 7.606 2.505 3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.237 1.758 0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.948 3.504 1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.453 2.926 0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.901 0.609 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.184 1.734 1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.824 1.515 3.463 1.00 0.00 H new ATOM 1073 N PHE A 70 6.018 4.791 3.494 1.00 0.00 N ATOM 1074 CA PHE A 70 4.729 5.342 3.101 1.00 0.00 C ATOM 1075 C PHE A 70 4.329 6.447 4.072 1.00 0.00 C ATOM 1076 O PHE A 70 3.710 7.437 3.685 1.00 0.00 O ATOM 1077 CB PHE A 70 3.662 4.246 3.073 1.00 0.00 C ATOM 1078 CG PHE A 70 3.482 3.622 1.718 1.00 0.00 C ATOM 1079 CD1 PHE A 70 2.775 4.283 0.727 1.00 0.00 C ATOM 1080 CD2 PHE A 70 4.024 2.379 1.433 1.00 0.00 C ATOM 1081 CE1 PHE A 70 2.611 3.717 -0.522 1.00 0.00 C ATOM 1082 CE2 PHE A 70 3.862 1.807 0.186 1.00 0.00 C ATOM 1083 CZ PHE A 70 3.156 2.477 -0.793 1.00 0.00 C ATOM 0 H PHE A 70 5.980 3.836 3.851 1.00 0.00 H new ATOM 0 HA PHE A 70 4.813 5.760 2.098 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.931 3.470 3.789 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.711 4.667 3.400 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.347 5.253 0.934 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.579 1.851 2.194 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.057 4.243 -1.286 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.287 0.836 -0.023 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.030 2.032 -1.769 1.00 0.00 H new ATOM 1093 N LYS A 71 4.708 6.271 5.336 1.00 0.00 N ATOM 1094 CA LYS A 71 4.412 7.253 6.370 1.00 0.00 C ATOM 1095 C LYS A 71 5.423 8.389 6.326 1.00 0.00 C ATOM 1096 O LYS A 71 5.100 9.540 6.624 1.00 0.00 O ATOM 1097 CB LYS A 71 4.440 6.599 7.752 1.00 0.00 C ATOM 1098 CG LYS A 71 3.112 5.992 8.170 1.00 0.00 C ATOM 1099 CD LYS A 71 2.927 6.057 9.678 1.00 0.00 C ATOM 1100 CE LYS A 71 2.650 7.476 10.144 1.00 0.00 C ATOM 1101 NZ LYS A 71 1.791 7.505 11.360 1.00 0.00 N ATOM 0 H LYS A 71 5.222 5.454 5.667 1.00 0.00 H new ATOM 0 HA LYS A 71 3.415 7.653 6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.203 5.821 7.760 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.737 7.344 8.490 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.296 6.522 7.678 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.064 4.954 7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.102 5.409 9.973 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.822 5.679 10.172 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.594 7.979 10.354 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.164 8.032 9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.626 8.491 11.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.880 7.048 11.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.266 6.996 12.133 1.00 0.00 H new ATOM 1115 N GLY A 72 6.654 8.054 5.952 1.00 0.00 N ATOM 1116 CA GLY A 72 7.707 9.046 5.874 1.00 0.00 C ATOM 1117 C GLY A 72 7.632 9.873 4.607 1.00 0.00 C ATOM 1118 O GLY A 72 8.088 11.015 4.582 1.00 0.00 O ATOM 0 H GLY A 72 6.940 7.108 5.701 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.645 9.706 6.739 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.675 8.548 5.922 1.00 0.00 H new ATOM 1122 N ALA A 73 7.054 9.298 3.554 1.00 0.00 N ATOM 1123 CA ALA A 73 6.919 9.990 2.275 1.00 0.00 C ATOM 1124 C ALA A 73 6.429 11.425 2.466 1.00 0.00 C ATOM 1125 O ALA A 73 5.555 11.690 3.293 1.00 0.00 O ATOM 1126 CB ALA A 73 5.974 9.223 1.366 1.00 0.00 C ATOM 0 H ALA A 73 6.671 8.353 3.562 1.00 0.00 H new ATOM 0 HA ALA A 73 7.903 10.036 1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.879 9.746 0.415 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.369 8.222 1.192 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.994 9.149 1.838 1.00 0.00 H new ATOM 1132 N ASN A 74 6.997 12.345 1.697 1.00 0.00 N ATOM 1133 CA ASN A 74 6.623 13.754 1.778 1.00 0.00 C ATOM 1134 C ASN A 74 7.182 14.530 0.591 1.00 0.00 C ATOM 1135 O ASN A 74 8.359 14.895 0.571 1.00 0.00 O ATOM 1136 CB ASN A 74 7.117 14.371 3.087 1.00 0.00 C ATOM 1137 CG ASN A 74 8.619 14.268 3.246 1.00 0.00 C ATOM 1138 OD1 ASN A 74 9.348 15.238 3.033 1.00 0.00 O ATOM 1139 ND2 ASN A 74 9.088 13.086 3.620 1.00 0.00 N ATOM 0 H ASN A 74 7.721 12.141 1.008 1.00 0.00 H new ATOM 0 HA ASN A 74 5.535 13.814 1.753 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.822 15.420 3.125 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.631 13.873 3.926 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.092 12.951 3.743 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.445 12.311 3.785 1.00 0.00 H new ATOM 1146 N GLY A 75 6.333 14.768 -0.401 1.00 0.00 N ATOM 1147 CA GLY A 75 6.754 15.488 -1.588 1.00 0.00 C ATOM 1148 C GLY A 75 6.687 14.619 -2.827 1.00 0.00 C ATOM 1149 O GLY A 75 7.699 14.082 -3.273 1.00 0.00 O ATOM 0 H GLY A 75 5.356 14.474 -0.404 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.121 16.365 -1.725 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.774 15.849 -1.452 1.00 0.00 H new ATOM 1153 N LYS A 76 5.485 14.472 -3.377 1.00 0.00 N ATOM 1154 CA LYS A 76 5.280 13.651 -4.561 1.00 0.00 C ATOM 1155 C LYS A 76 5.692 12.206 -4.278 1.00 0.00 C ATOM 1156 O LYS A 76 6.867 11.916 -4.060 1.00 0.00 O ATOM 1157 CB LYS A 76 6.073 14.214 -5.737 1.00 0.00 C ATOM 1158 CG LYS A 76 5.333 14.131 -7.062 1.00 0.00 C ATOM 1159 CD LYS A 76 4.668 15.452 -7.416 1.00 0.00 C ATOM 1160 CE LYS A 76 3.176 15.419 -7.127 1.00 0.00 C ATOM 1161 NZ LYS A 76 2.388 15.005 -8.322 1.00 0.00 N ATOM 0 H LYS A 76 4.638 14.913 -3.019 1.00 0.00 H new ATOM 0 HA LYS A 76 4.221 13.665 -4.821 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.321 15.256 -5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.016 13.673 -5.822 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.030 13.851 -7.852 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.579 13.346 -7.009 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.132 16.258 -6.848 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.831 15.671 -8.471 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.980 14.729 -6.306 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.848 16.405 -6.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.376 14.995 -8.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.555 15.677 -9.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.683 14.053 -8.620 1.00 0.00 H new ATOM 1175 N VAL A 77 4.710 11.312 -4.263 1.00 0.00 N ATOM 1176 CA VAL A 77 4.961 9.900 -3.983 1.00 0.00 C ATOM 1177 C VAL A 77 4.440 9.002 -5.098 1.00 0.00 C ATOM 1178 O VAL A 77 3.234 8.814 -5.240 1.00 0.00 O ATOM 1179 CB VAL A 77 4.295 9.472 -2.662 1.00 0.00 C ATOM 1180 CG1 VAL A 77 5.283 9.572 -1.518 1.00 0.00 C ATOM 1181 CG2 VAL A 77 3.059 10.305 -2.377 1.00 0.00 C ATOM 0 H VAL A 77 3.732 11.538 -4.441 1.00 0.00 H new ATOM 0 HA VAL A 77 6.043 9.787 -3.908 1.00 0.00 H new ATOM 0 HB VAL A 77 3.981 8.433 -2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.798 9.266 -0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.134 8.920 -1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.628 10.602 -1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.610 9.980 -1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.338 11.356 -2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.340 10.178 -3.186 1.00 0.00 H new ATOM 1191 N SER A 78 5.357 8.433 -5.872 1.00 0.00 N ATOM 1192 CA SER A 78 4.986 7.539 -6.964 1.00 0.00 C ATOM 1193 C SER A 78 5.115 6.083 -6.528 1.00 0.00 C ATOM 1194 O SER A 78 6.214 5.609 -6.241 1.00 0.00 O ATOM 1195 CB SER A 78 5.866 7.802 -8.187 1.00 0.00 C ATOM 1196 OG SER A 78 5.363 7.137 -9.332 1.00 0.00 O ATOM 0 H SER A 78 6.361 8.574 -5.764 1.00 0.00 H new ATOM 0 HA SER A 78 3.947 7.732 -7.231 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.916 8.874 -8.378 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.883 7.466 -7.986 1.00 0.00 H new ATOM 0 HG SER A 78 5.943 7.323 -10.100 1.00 0.00 H new ATOM 1202 N MET A 79 3.987 5.383 -6.464 1.00 0.00 N ATOM 1203 CA MET A 79 3.980 3.986 -6.046 1.00 0.00 C ATOM 1204 C MET A 79 3.475 3.069 -7.155 1.00 0.00 C ATOM 1205 O MET A 79 2.350 3.218 -7.631 1.00 0.00 O ATOM 1206 CB MET A 79 3.109 3.797 -4.797 1.00 0.00 C ATOM 1207 CG MET A 79 2.917 5.059 -3.970 1.00 0.00 C ATOM 1208 SD MET A 79 1.303 5.821 -4.230 1.00 0.00 S ATOM 1209 CE MET A 79 0.685 5.894 -2.550 1.00 0.00 C ATOM 0 H MET A 79 3.068 5.759 -6.696 1.00 0.00 H new ATOM 0 HA MET A 79 5.011 3.717 -5.816 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.131 3.425 -5.103 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.559 3.029 -4.168 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.035 4.818 -2.914 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.698 5.776 -4.222 1.00 0.00 H new ATOM 0 HE1 MET A 79 -0.191 6.541 -2.512 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.411 4.892 -2.219 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.459 6.293 -1.895 1.00 0.00 H new ATOM 1219 N GLU A 80 4.303 2.104 -7.546 1.00 0.00 N ATOM 1220 CA GLU A 80 3.917 1.149 -8.581 1.00 0.00 C ATOM 1221 C GLU A 80 3.098 0.026 -7.963 1.00 0.00 C ATOM 1222 O GLU A 80 3.639 -0.866 -7.309 1.00 0.00 O ATOM 1223 CB GLU A 80 5.147 0.575 -9.292 1.00 0.00 C ATOM 1224 CG GLU A 80 5.140 0.802 -10.795 1.00 0.00 C ATOM 1225 CD GLU A 80 6.464 1.327 -11.315 1.00 0.00 C ATOM 1226 OE1 GLU A 80 7.475 1.207 -10.591 1.00 0.00 O ATOM 1227 OE2 GLU A 80 6.490 1.857 -12.445 1.00 0.00 O ATOM 0 H GLU A 80 5.239 1.963 -7.165 1.00 0.00 H new ATOM 0 HA GLU A 80 3.314 1.672 -9.323 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.045 1.026 -8.869 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.204 -0.495 -9.095 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.903 -0.135 -11.298 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.349 1.509 -11.048 1.00 0.00 H new ATOM 1234 N VAL A 81 1.789 0.084 -8.159 1.00 0.00 N ATOM 1235 CA VAL A 81 0.889 -0.920 -7.604 1.00 0.00 C ATOM 1236 C VAL A 81 0.581 -2.018 -8.610 1.00 0.00 C ATOM 1237 O VAL A 81 0.425 -1.760 -9.801 1.00 0.00 O ATOM 1238 CB VAL A 81 -0.440 -0.307 -7.119 1.00 0.00 C ATOM 1239 CG1 VAL A 81 -0.376 -0.012 -5.632 1.00 0.00 C ATOM 1240 CG2 VAL A 81 -0.772 0.949 -7.901 1.00 0.00 C ATOM 0 H VAL A 81 1.325 0.815 -8.698 1.00 0.00 H new ATOM 0 HA VAL A 81 1.414 -1.347 -6.750 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.235 -1.032 -7.293 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.322 0.420 -5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.192 -0.937 -5.085 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.432 0.693 -5.435 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.714 1.363 -7.541 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.023 1.683 -7.766 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.864 0.705 -8.959 1.00 0.00 H new ATOM 1250 N THR A 82 0.485 -3.242 -8.108 1.00 0.00 N ATOM 1251 CA THR A 82 0.183 -4.397 -8.938 1.00 0.00 C ATOM 1252 C THR A 82 -1.229 -4.893 -8.648 1.00 0.00 C ATOM 1253 O THR A 82 -1.580 -5.151 -7.499 1.00 0.00 O ATOM 1254 CB THR A 82 1.203 -5.509 -8.675 1.00 0.00 C ATOM 1255 OG1 THR A 82 2.498 -5.106 -9.081 1.00 0.00 O ATOM 1256 CG2 THR A 82 0.881 -6.804 -9.387 1.00 0.00 C ATOM 0 H THR A 82 0.614 -3.460 -7.120 1.00 0.00 H new ATOM 0 HA THR A 82 0.242 -4.108 -9.987 1.00 0.00 H new ATOM 0 HB THR A 82 1.161 -5.688 -7.601 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.764 -4.306 -8.581 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.645 -7.546 -9.155 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.091 -7.169 -9.056 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.857 -6.631 -10.463 1.00 0.00 H new ATOM 1264 N ARG A 83 -2.038 -5.012 -9.695 1.00 0.00 N ATOM 1265 CA ARG A 83 -3.415 -5.467 -9.545 1.00 0.00 C ATOM 1266 C ARG A 83 -3.596 -6.875 -10.105 1.00 0.00 C ATOM 1267 O ARG A 83 -3.796 -7.054 -11.307 1.00 0.00 O ATOM 1268 CB ARG A 83 -4.370 -4.502 -10.251 1.00 0.00 C ATOM 1269 CG ARG A 83 -5.837 -4.857 -10.071 1.00 0.00 C ATOM 1270 CD ARG A 83 -6.477 -4.041 -8.960 1.00 0.00 C ATOM 1271 NE ARG A 83 -7.927 -4.212 -8.923 1.00 0.00 N ATOM 1272 CZ ARG A 83 -8.683 -3.920 -7.867 1.00 0.00 C ATOM 1273 NH1 ARG A 83 -8.131 -3.450 -6.756 1.00 0.00 N ATOM 1274 NH2 ARG A 83 -9.995 -4.103 -7.920 1.00 0.00 N ATOM 0 H ARG A 83 -1.765 -4.800 -10.655 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.646 -5.490 -8.480 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.200 -3.494 -9.873 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.136 -4.487 -11.316 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.371 -4.683 -11.005 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.930 -5.919 -9.843 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.052 -4.338 -8.001 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.240 -2.987 -9.101 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.388 -4.577 -9.756 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.122 -3.310 -6.708 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.716 -3.228 -5.950 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.425 -4.468 -8.770 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.574 -3.879 -7.111 1.00 0.00 H new ATOM 1288 N PRO A 84 -3.531 -7.901 -9.237 1.00 0.00 N ATOM 1289 CA PRO A 84 -3.693 -9.296 -9.652 1.00 0.00 C ATOM 1290 C PRO A 84 -5.012 -9.531 -10.381 1.00 0.00 C ATOM 1291 O PRO A 84 -5.772 -8.594 -10.630 1.00 0.00 O ATOM 1292 CB PRO A 84 -3.670 -10.073 -8.333 1.00 0.00 C ATOM 1293 CG PRO A 84 -2.967 -9.181 -7.369 1.00 0.00 C ATOM 1294 CD PRO A 84 -3.300 -7.779 -7.785 1.00 0.00 C ATOM 0 HA PRO A 84 -2.916 -9.602 -10.353 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.680 -10.303 -7.993 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.147 -11.023 -8.444 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.296 -9.374 -6.348 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -1.891 -9.350 -7.394 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.183 -7.405 -7.267 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.485 -7.090 -7.564 1.00 0.00 H new ATOM 1572 N GLN A 103 -8.966 1.345 9.790 1.00 0.00 N ATOM 1573 CA GLN A 103 -7.861 0.518 9.319 1.00 0.00 C ATOM 1574 C GLN A 103 -6.511 1.149 9.625 1.00 0.00 C ATOM 1575 O GLN A 103 -6.433 2.249 10.169 1.00 0.00 O ATOM 1576 CB GLN A 103 -7.994 0.309 7.810 1.00 0.00 C ATOM 1577 CG GLN A 103 -9.146 -0.595 7.440 1.00 0.00 C ATOM 1578 CD GLN A 103 -8.700 -1.987 7.038 1.00 0.00 C ATOM 1579 OE1 GLN A 103 -7.583 -2.180 6.556 1.00 0.00 O ATOM 1580 NE2 GLN A 103 -9.571 -2.967 7.241 1.00 0.00 N ATOM 0 HA GLN A 103 -7.909 -0.437 9.842 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -8.128 1.276 7.325 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.067 -0.116 7.424 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -9.829 -0.668 8.286 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -9.703 -0.146 6.618 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -10.486 -2.761 7.643 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -9.326 -3.926 6.995 1.00 0.00 H new ATOM 1589 N TYR A 104 -5.445 0.450 9.245 1.00 0.00 N ATOM 1590 CA TYR A 104 -4.096 0.952 9.452 1.00 0.00 C ATOM 1591 C TYR A 104 -3.741 1.898 8.316 1.00 0.00 C ATOM 1592 O TYR A 104 -3.327 1.467 7.242 1.00 0.00 O ATOM 1593 CB TYR A 104 -3.096 -0.206 9.503 1.00 0.00 C ATOM 1594 CG TYR A 104 -1.802 0.125 10.216 1.00 0.00 C ATOM 1595 CD1 TYR A 104 -1.800 0.866 11.391 1.00 0.00 C ATOM 1596 CD2 TYR A 104 -0.581 -0.311 9.715 1.00 0.00 C ATOM 1597 CE1 TYR A 104 -0.620 1.164 12.046 1.00 0.00 C ATOM 1598 CE2 TYR A 104 0.603 -0.020 10.366 1.00 0.00 C ATOM 1599 CZ TYR A 104 0.578 0.717 11.531 1.00 0.00 C ATOM 1600 OH TYR A 104 1.754 1.010 12.182 1.00 0.00 O ATOM 0 H TYR A 104 -5.492 -0.463 8.793 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.051 1.484 10.402 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -3.565 -1.055 10.000 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.867 -0.519 8.484 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -2.737 1.215 11.800 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.557 -0.887 8.802 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.636 1.744 12.957 1.00 0.00 H new ATOM 0 HE2 TYR A 104 1.543 -0.368 9.964 1.00 0.00 H new ATOM 0 HH TYR A 104 2.354 1.489 11.573 1.00 0.00 H new ATOM 1610 N TRP A 105 -3.925 3.188 8.554 1.00 0.00 N ATOM 1611 CA TRP A 105 -3.643 4.193 7.541 1.00 0.00 C ATOM 1612 C TRP A 105 -2.328 4.909 7.831 1.00 0.00 C ATOM 1613 O TRP A 105 -2.125 5.436 8.925 1.00 0.00 O ATOM 1614 CB TRP A 105 -4.793 5.202 7.473 1.00 0.00 C ATOM 1615 CG TRP A 105 -6.155 4.570 7.431 1.00 0.00 C ATOM 1616 CD1 TRP A 105 -6.962 4.265 8.494 1.00 0.00 C ATOM 1617 CD2 TRP A 105 -6.874 4.156 6.264 1.00 0.00 C ATOM 1618 NE1 TRP A 105 -8.135 3.711 8.053 1.00 0.00 N ATOM 1619 CE2 TRP A 105 -8.101 3.627 6.692 1.00 0.00 C ATOM 1620 CE3 TRP A 105 -6.602 4.182 4.900 1.00 0.00 C ATOM 1621 CZ2 TRP A 105 -9.047 3.132 5.806 1.00 0.00 C ATOM 1622 CZ3 TRP A 105 -7.545 3.684 4.024 1.00 0.00 C ATOM 1623 CH2 TRP A 105 -8.753 3.167 4.485 1.00 0.00 C ATOM 0 H TRP A 105 -4.268 3.563 9.439 1.00 0.00 H new ATOM 0 HA TRP A 105 -3.548 3.692 6.577 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -4.736 5.862 8.339 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.665 5.825 6.588 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.710 4.436 9.530 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -8.908 3.410 8.646 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -5.669 4.585 4.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -9.986 2.732 6.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -7.343 3.695 2.963 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -9.471 2.786 3.774 1.00 0.00 H new ATOM 1634 N VAL A 106 -1.439 4.927 6.842 1.00 0.00 N ATOM 1635 CA VAL A 106 -0.144 5.578 6.990 1.00 0.00 C ATOM 1636 C VAL A 106 -0.300 7.091 7.099 1.00 0.00 C ATOM 1637 O VAL A 106 -1.068 7.665 6.298 1.00 0.00 O ATOM 1638 CB VAL A 106 0.789 5.255 5.808 1.00 0.00 C ATOM 1639 CG1 VAL A 106 1.286 3.821 5.895 1.00 0.00 C ATOM 1640 CG2 VAL A 106 0.080 5.502 4.485 1.00 0.00 C ATOM 1641 OXT VAL A 106 0.348 7.690 7.984 1.00 0.00 O ATOM 0 H VAL A 106 -1.593 4.498 5.930 1.00 0.00 H new ATOM 0 HA VAL A 106 0.299 5.192 7.908 1.00 0.00 H new ATOM 0 HB VAL A 106 1.653 5.917 5.860 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.944 3.612 5.051 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.835 3.682 6.826 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.436 3.139 5.870 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.755 5.268 3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.804 4.867 4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.220 6.548 4.423 1.00 0.00 H new