USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 512 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 47 SER OG : rot 130:sc= 0.796 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0.00936 USER MOD Set 2.1: A 17 SER OG : rot 46:sc= 0.198 USER MOD Set 2.2: A 19 HIS : no HE2:sc= 0.193 K(o=0.39,f=-2.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 33:sc= 0.356 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -2.54 K(o=-2.5,f=-1.7) USER MOD Single : A 9 MET CE :methyl 178:sc= -6.94! (180deg=-7.35!) USER MOD Single : A 14 HIS : no HE2:sc= -0.833 X(o=-0.83,f=-1.2) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -133:sc= 1.05 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -129:sc= -0.0239 (180deg=-0.23) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -8.08! C(o=-8.1!,f=-15!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -4:sc= 0.537 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.215 -6.476 -5.796 1.00 0.00 N ATOM 2 CA GLY A 1 15.889 -6.298 -5.234 1.00 0.00 C ATOM 3 C GLY A 1 15.908 -5.496 -3.948 1.00 0.00 C ATOM 4 O GLY A 1 16.379 -4.359 -3.924 1.00 0.00 O ATOM 0 H1 GLY A 1 17.149 -7.030 -6.674 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.631 -5.546 -6.004 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.817 -6.980 -5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.253 -5.795 -5.963 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.444 -7.275 -5.043 1.00 0.00 H new ATOM 8 N SER A 2 15.392 -6.088 -2.875 1.00 0.00 N ATOM 9 CA SER A 2 15.346 -5.418 -1.580 1.00 0.00 C ATOM 10 C SER A 2 15.283 -6.435 -0.445 1.00 0.00 C ATOM 11 O SER A 2 14.913 -7.591 -0.652 1.00 0.00 O ATOM 12 CB SER A 2 14.139 -4.482 -1.509 1.00 0.00 C ATOM 13 OG SER A 2 14.470 -3.186 -1.976 1.00 0.00 O ATOM 0 H SER A 2 15.000 -7.030 -2.877 1.00 0.00 H new ATOM 0 HA SER A 2 16.258 -4.832 -1.469 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.323 -4.890 -2.106 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.782 -4.421 -0.481 1.00 0.00 H new ATOM 0 HG SER A 2 15.141 -3.256 -2.687 1.00 0.00 H new ATOM 19 N SER A 3 15.647 -5.996 0.756 1.00 0.00 N ATOM 20 CA SER A 3 15.636 -6.868 1.924 1.00 0.00 C ATOM 21 C SER A 3 14.298 -7.591 2.050 1.00 0.00 C ATOM 22 O SER A 3 13.321 -7.230 1.396 1.00 0.00 O ATOM 23 CB SER A 3 15.913 -6.059 3.193 1.00 0.00 C ATOM 24 OG SER A 3 14.792 -5.268 3.549 1.00 0.00 O ATOM 0 H SER A 3 15.953 -5.042 0.945 1.00 0.00 H new ATOM 0 HA SER A 3 16.421 -7.613 1.798 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.160 -6.735 4.012 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.780 -5.417 3.037 1.00 0.00 H new ATOM 0 HG SER A 3 14.994 -4.762 4.364 1.00 0.00 H new ATOM 30 N GLY A 4 14.263 -8.615 2.898 1.00 0.00 N ATOM 31 CA GLY A 4 13.042 -9.373 3.095 1.00 0.00 C ATOM 32 C GLY A 4 12.930 -10.549 2.145 1.00 0.00 C ATOM 33 O GLY A 4 13.714 -10.673 1.205 1.00 0.00 O ATOM 0 H GLY A 4 15.059 -8.933 3.452 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.005 -9.735 4.122 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.184 -8.716 2.957 1.00 0.00 H new ATOM 37 N SER A 5 11.952 -11.415 2.392 1.00 0.00 N ATOM 38 CA SER A 5 11.744 -12.591 1.554 1.00 0.00 C ATOM 39 C SER A 5 11.254 -12.189 0.167 1.00 0.00 C ATOM 40 O SER A 5 11.710 -12.724 -0.844 1.00 0.00 O ATOM 41 CB SER A 5 10.735 -13.537 2.209 1.00 0.00 C ATOM 42 OG SER A 5 10.483 -14.662 1.385 1.00 0.00 O ATOM 0 H SER A 5 11.292 -11.325 3.164 1.00 0.00 H new ATOM 0 HA SER A 5 12.699 -13.106 1.448 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.116 -13.868 3.175 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.803 -13.005 2.399 1.00 0.00 H new ATOM 0 HG SER A 5 9.837 -15.252 1.826 1.00 0.00 H new ATOM 48 N SER A 6 10.322 -11.242 0.126 1.00 0.00 N ATOM 49 CA SER A 6 9.766 -10.770 -1.137 1.00 0.00 C ATOM 50 C SER A 6 9.233 -9.347 -0.998 1.00 0.00 C ATOM 51 O SER A 6 8.569 -9.014 -0.017 1.00 0.00 O ATOM 52 CB SER A 6 8.647 -11.702 -1.606 1.00 0.00 C ATOM 53 OG SER A 6 8.370 -11.513 -2.983 1.00 0.00 O ATOM 0 H SER A 6 9.936 -10.786 0.953 1.00 0.00 H new ATOM 0 HA SER A 6 10.564 -10.770 -1.879 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.934 -12.738 -1.428 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.746 -11.516 -1.022 1.00 0.00 H new ATOM 0 HG SER A 6 7.653 -12.121 -3.259 1.00 0.00 H new ATOM 59 N GLY A 7 9.530 -8.511 -1.988 1.00 0.00 N ATOM 60 CA GLY A 7 9.074 -7.134 -1.958 1.00 0.00 C ATOM 61 C GLY A 7 7.799 -6.928 -2.751 1.00 0.00 C ATOM 62 O GLY A 7 7.636 -7.490 -3.833 1.00 0.00 O ATOM 0 H GLY A 7 10.078 -8.763 -2.810 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.908 -6.832 -0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.855 -6.487 -2.357 1.00 0.00 H new ATOM 66 N ASN A 8 6.892 -6.120 -2.211 1.00 0.00 N ATOM 67 CA ASN A 8 5.623 -5.844 -2.875 1.00 0.00 C ATOM 68 C ASN A 8 5.394 -4.341 -3.005 1.00 0.00 C ATOM 69 O ASN A 8 5.356 -3.620 -2.009 1.00 0.00 O ATOM 70 CB ASN A 8 4.469 -6.481 -2.100 1.00 0.00 C ATOM 71 CG ASN A 8 4.734 -6.537 -0.608 1.00 0.00 C ATOM 72 OD1 ASN A 8 5.603 -7.278 -0.148 1.00 0.00 O ATOM 73 ND2 ASN A 8 3.986 -5.750 0.156 1.00 0.00 N ATOM 0 H ASN A 8 7.012 -5.645 -1.316 1.00 0.00 H new ATOM 0 HA ASN A 8 5.663 -6.276 -3.875 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.556 -5.914 -2.283 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.298 -7.491 -2.474 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.120 -5.744 1.167 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.277 -5.152 -0.268 1.00 0.00 H new ATOM 80 N MET A 9 5.243 -3.876 -4.241 1.00 0.00 N ATOM 81 CA MET A 9 5.016 -2.459 -4.502 1.00 0.00 C ATOM 82 C MET A 9 3.670 -2.241 -5.186 1.00 0.00 C ATOM 83 O MET A 9 3.284 -3.000 -6.076 1.00 0.00 O ATOM 84 CB MET A 9 6.140 -1.892 -5.371 1.00 0.00 C ATOM 85 CG MET A 9 7.413 -1.592 -4.597 1.00 0.00 C ATOM 86 SD MET A 9 7.468 0.100 -3.978 1.00 0.00 S ATOM 87 CE MET A 9 5.773 0.320 -3.443 1.00 0.00 C ATOM 0 H MET A 9 5.274 -4.459 -5.077 1.00 0.00 H new ATOM 0 HA MET A 9 5.007 -1.936 -3.546 1.00 0.00 H new ATOM 0 HB2 MET A 9 6.367 -2.602 -6.166 1.00 0.00 H new ATOM 0 HB3 MET A 9 5.792 -0.977 -5.850 1.00 0.00 H new ATOM 0 HG2 MET A 9 7.495 -2.284 -3.759 1.00 0.00 H new ATOM 0 HG3 MET A 9 8.275 -1.767 -5.241 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.656 1.310 -3.002 1.00 0.00 H new ATOM 0 HE2 MET A 9 5.106 0.224 -4.299 1.00 0.00 H new ATOM 0 HE3 MET A 9 5.524 -0.439 -2.702 1.00 0.00 H new ATOM 97 N PHE A 10 2.958 -1.201 -4.764 1.00 0.00 N ATOM 98 CA PHE A 10 1.654 -0.885 -5.335 1.00 0.00 C ATOM 99 C PHE A 10 1.378 0.614 -5.263 1.00 0.00 C ATOM 100 O PHE A 10 1.344 1.199 -4.180 1.00 0.00 O ATOM 101 CB PHE A 10 0.553 -1.654 -4.603 1.00 0.00 C ATOM 102 CG PHE A 10 0.621 -3.140 -4.809 1.00 0.00 C ATOM 103 CD1 PHE A 10 1.627 -3.889 -4.219 1.00 0.00 C ATOM 104 CD2 PHE A 10 -0.320 -3.789 -5.593 1.00 0.00 C ATOM 105 CE1 PHE A 10 1.692 -5.257 -4.408 1.00 0.00 C ATOM 106 CE2 PHE A 10 -0.259 -5.156 -5.784 1.00 0.00 C ATOM 107 CZ PHE A 10 0.748 -5.891 -5.190 1.00 0.00 C ATOM 0 H PHE A 10 3.262 -0.563 -4.029 1.00 0.00 H new ATOM 0 HA PHE A 10 1.661 -1.185 -6.383 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.619 -1.440 -3.536 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.418 -1.292 -4.941 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.368 -3.399 -3.605 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.110 -3.220 -6.060 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.481 -5.829 -3.944 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.998 -5.649 -6.397 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.797 -6.960 -5.337 1.00 0.00 H new ATOM 117 N VAL A 11 1.181 1.231 -6.424 1.00 0.00 N ATOM 118 CA VAL A 11 0.907 2.661 -6.493 1.00 0.00 C ATOM 119 C VAL A 11 -0.590 2.938 -6.411 1.00 0.00 C ATOM 120 O VAL A 11 -1.409 2.037 -6.589 1.00 0.00 O ATOM 121 CB VAL A 11 1.461 3.277 -7.791 1.00 0.00 C ATOM 122 CG1 VAL A 11 1.769 4.753 -7.593 1.00 0.00 C ATOM 123 CG2 VAL A 11 2.700 2.523 -8.251 1.00 0.00 C ATOM 0 H VAL A 11 1.206 0.762 -7.330 1.00 0.00 H new ATOM 0 HA VAL A 11 1.406 3.120 -5.640 1.00 0.00 H new ATOM 0 HB VAL A 11 0.701 3.190 -8.567 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.159 5.171 -8.521 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.857 5.281 -7.313 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.511 4.867 -6.803 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.079 2.971 -9.170 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.467 2.577 -7.478 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.444 1.480 -8.435 1.00 0.00 H new ATOM 133 N ALA A 12 -0.940 4.192 -6.141 1.00 0.00 N ATOM 134 CA ALA A 12 -2.339 4.589 -6.038 1.00 0.00 C ATOM 135 C ALA A 12 -2.809 5.277 -7.315 1.00 0.00 C ATOM 136 O ALA A 12 -3.906 5.011 -7.808 1.00 0.00 O ATOM 137 CB ALA A 12 -2.541 5.503 -4.838 1.00 0.00 C ATOM 0 H ALA A 12 -0.274 4.950 -5.990 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.938 3.689 -5.900 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.590 5.792 -4.773 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.252 4.978 -3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.925 6.395 -4.953 1.00 0.00 H new ATOM 143 N LEU A 13 -1.974 6.164 -7.845 1.00 0.00 N ATOM 144 CA LEU A 13 -2.306 6.892 -9.066 1.00 0.00 C ATOM 145 C LEU A 13 -3.555 7.744 -8.869 1.00 0.00 C ATOM 146 O LEU A 13 -4.268 8.049 -9.826 1.00 0.00 O ATOM 147 CB LEU A 13 -2.517 5.915 -10.224 1.00 0.00 C ATOM 148 CG LEU A 13 -1.445 4.840 -10.400 1.00 0.00 C ATOM 149 CD1 LEU A 13 -0.062 5.470 -10.461 1.00 0.00 C ATOM 150 CD2 LEU A 13 -1.520 3.822 -9.271 1.00 0.00 C ATOM 0 H LEU A 13 -1.063 6.397 -7.449 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.473 7.553 -9.304 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.479 5.421 -10.085 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.583 6.488 -11.149 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.628 4.323 -11.342 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.688 4.689 -10.586 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.013 6.159 -11.304 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.131 6.014 -9.536 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.749 3.064 -9.413 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.363 4.325 -8.317 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.501 3.347 -9.274 1.00 0.00 H new ATOM 162 N HIS A 14 -3.814 8.128 -7.623 1.00 0.00 N ATOM 163 CA HIS A 14 -4.976 8.948 -7.301 1.00 0.00 C ATOM 164 C HIS A 14 -4.829 9.581 -5.920 1.00 0.00 C ATOM 165 O HIS A 14 -3.968 9.186 -5.133 1.00 0.00 O ATOM 166 CB HIS A 14 -6.252 8.106 -7.356 1.00 0.00 C ATOM 167 CG HIS A 14 -6.895 8.081 -8.708 1.00 0.00 C ATOM 168 ND1 HIS A 14 -7.014 9.200 -9.506 1.00 0.00 N ATOM 169 CD2 HIS A 14 -7.454 7.063 -9.404 1.00 0.00 C ATOM 170 CE1 HIS A 14 -7.620 8.871 -10.633 1.00 0.00 C ATOM 171 NE2 HIS A 14 -7.898 7.581 -10.596 1.00 0.00 N ATOM 0 H HIS A 14 -3.235 7.884 -6.820 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.043 9.745 -8.041 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.017 7.085 -7.056 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -6.966 8.495 -6.630 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -6.686 10.135 -9.264 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -7.536 6.035 -9.082 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.849 9.543 -11.447 1.00 0.00 H new ATOM 180 N THR A 15 -5.675 10.565 -5.633 1.00 0.00 N ATOM 181 CA THR A 15 -5.638 11.254 -4.349 1.00 0.00 C ATOM 182 C THR A 15 -6.871 10.926 -3.514 1.00 0.00 C ATOM 183 O THR A 15 -7.950 11.472 -3.743 1.00 0.00 O ATOM 184 CB THR A 15 -5.547 12.781 -4.533 1.00 0.00 C ATOM 185 OG1 THR A 15 -4.570 13.097 -5.530 1.00 0.00 O ATOM 186 CG2 THR A 15 -5.181 13.462 -3.223 1.00 0.00 C ATOM 0 H THR A 15 -6.394 10.903 -6.272 1.00 0.00 H new ATOM 0 HA THR A 15 -4.746 10.905 -3.828 1.00 0.00 H new ATOM 0 HB THR A 15 -6.523 13.145 -4.854 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.520 14.069 -5.642 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.122 14.539 -3.377 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.942 13.243 -2.474 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.216 13.092 -2.878 1.00 0.00 H new ATOM 194 N TYR A 16 -6.703 10.033 -2.545 1.00 0.00 N ATOM 195 CA TYR A 16 -7.803 9.632 -1.676 1.00 0.00 C ATOM 196 C TYR A 16 -7.637 10.222 -0.279 1.00 0.00 C ATOM 197 O TYR A 16 -6.657 9.944 0.412 1.00 0.00 O ATOM 198 CB TYR A 16 -7.883 8.107 -1.592 1.00 0.00 C ATOM 199 CG TYR A 16 -9.033 7.607 -0.747 1.00 0.00 C ATOM 200 CD1 TYR A 16 -10.280 7.363 -1.309 1.00 0.00 C ATOM 201 CD2 TYR A 16 -8.873 7.380 0.615 1.00 0.00 C ATOM 202 CE1 TYR A 16 -11.334 6.907 -0.541 1.00 0.00 C ATOM 203 CE2 TYR A 16 -9.921 6.923 1.391 1.00 0.00 C ATOM 204 CZ TYR A 16 -11.149 6.688 0.808 1.00 0.00 C ATOM 205 OH TYR A 16 -12.195 6.234 1.578 1.00 0.00 O ATOM 0 H TYR A 16 -5.816 9.573 -2.342 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.729 10.015 -2.104 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.979 7.701 -2.599 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.948 7.724 -1.182 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.428 7.533 -2.365 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.913 7.564 1.075 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.297 6.723 -0.994 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.780 6.751 2.448 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.250 6.764 2.401 1.00 0.00 H new ATOM 215 N SER A 17 -8.604 11.038 0.130 1.00 0.00 N ATOM 216 CA SER A 17 -8.565 11.671 1.443 1.00 0.00 C ATOM 217 C SER A 17 -9.251 10.796 2.488 1.00 0.00 C ATOM 218 O SER A 17 -10.477 10.769 2.582 1.00 0.00 O ATOM 219 CB SER A 17 -9.236 13.044 1.390 1.00 0.00 C ATOM 220 OG SER A 17 -10.485 12.977 0.723 1.00 0.00 O ATOM 0 H SER A 17 -9.423 11.276 -0.429 1.00 0.00 H new ATOM 0 HA SER A 17 -7.521 11.796 1.729 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.381 13.421 2.403 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.584 13.751 0.877 1.00 0.00 H new ATOM 0 HG SER A 17 -10.991 12.205 1.053 1.00 0.00 H new ATOM 226 N ALA A 18 -8.449 10.082 3.271 1.00 0.00 N ATOM 227 CA ALA A 18 -8.977 9.208 4.311 1.00 0.00 C ATOM 228 C ALA A 18 -10.079 9.902 5.105 1.00 0.00 C ATOM 229 O ALA A 18 -9.945 11.066 5.484 1.00 0.00 O ATOM 230 CB ALA A 18 -7.860 8.756 5.239 1.00 0.00 C ATOM 0 H ALA A 18 -7.431 10.092 3.205 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.410 8.332 3.828 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.269 8.104 6.011 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.108 8.213 4.666 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.400 9.627 5.706 1.00 0.00 H new ATOM 236 N HIS A 19 -11.168 9.181 5.353 1.00 0.00 N ATOM 237 CA HIS A 19 -12.293 9.729 6.102 1.00 0.00 C ATOM 238 C HIS A 19 -12.494 8.972 7.412 1.00 0.00 C ATOM 239 O HIS A 19 -13.100 9.487 8.351 1.00 0.00 O ATOM 240 CB HIS A 19 -13.570 9.669 5.264 1.00 0.00 C ATOM 241 CG HIS A 19 -13.789 10.885 4.418 1.00 0.00 C ATOM 242 ND1 HIS A 19 -12.759 11.593 3.835 1.00 0.00 N ATOM 243 CD2 HIS A 19 -14.929 11.518 4.057 1.00 0.00 C ATOM 244 CE1 HIS A 19 -13.256 12.609 3.154 1.00 0.00 C ATOM 245 NE2 HIS A 19 -14.571 12.586 3.271 1.00 0.00 N ATOM 0 H HIS A 19 -11.295 8.217 5.046 1.00 0.00 H new ATOM 0 HA HIS A 19 -12.069 10.770 6.335 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -13.531 8.791 4.620 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -14.425 9.540 5.928 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -11.768 11.367 3.917 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -15.934 11.236 4.335 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -12.684 13.336 2.596 1.00 0.00 H new ATOM 254 N ARG A 20 -11.982 7.747 7.465 1.00 0.00 N ATOM 255 CA ARG A 20 -12.107 6.918 8.658 1.00 0.00 C ATOM 256 C ARG A 20 -10.733 6.567 9.223 1.00 0.00 C ATOM 257 O ARG A 20 -9.714 6.650 8.538 1.00 0.00 O ATOM 258 CB ARG A 20 -12.880 5.638 8.337 1.00 0.00 C ATOM 259 CG ARG A 20 -14.385 5.779 8.496 1.00 0.00 C ATOM 260 CD ARG A 20 -15.035 4.452 8.857 1.00 0.00 C ATOM 261 NE ARG A 20 -16.402 4.358 8.354 1.00 0.00 N ATOM 262 CZ ARG A 20 -17.244 3.386 8.691 1.00 0.00 C ATOM 263 NH1 ARG A 20 -16.859 2.432 9.528 1.00 0.00 N ATOM 264 NH2 ARG A 20 -18.473 3.368 8.192 1.00 0.00 N ATOM 0 H ARG A 20 -11.477 7.307 6.696 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.655 7.487 9.409 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.658 5.337 7.313 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.528 4.838 8.988 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.603 6.514 9.271 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.816 6.156 7.569 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.441 3.634 8.448 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.038 4.333 9.940 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.729 5.077 7.709 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.915 2.443 9.915 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.507 1.687 9.785 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.773 4.101 7.549 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.118 2.622 8.451 1.00 0.00 H new ATOM 278 N PRO A 21 -10.704 6.166 10.503 1.00 0.00 N ATOM 279 CA PRO A 21 -9.463 5.795 11.188 1.00 0.00 C ATOM 280 C PRO A 21 -8.880 4.488 10.663 1.00 0.00 C ATOM 281 O PRO A 21 -7.842 4.026 11.137 1.00 0.00 O ATOM 282 CB PRO A 21 -9.897 5.639 12.648 1.00 0.00 C ATOM 283 CG PRO A 21 -11.348 5.311 12.579 1.00 0.00 C ATOM 284 CD PRO A 21 -11.882 6.044 11.379 1.00 0.00 C ATOM 0 HA PRO A 21 -8.678 6.536 11.039 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.336 4.848 13.145 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.725 6.556 13.212 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.501 4.236 12.480 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.862 5.623 13.488 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -12.687 5.491 10.895 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.284 7.020 11.650 1.00 0.00 H new ATOM 292 N GLU A 22 -9.553 3.897 9.681 1.00 0.00 N ATOM 293 CA GLU A 22 -9.100 2.642 9.092 1.00 0.00 C ATOM 294 C GLU A 22 -8.678 2.843 7.639 1.00 0.00 C ATOM 295 O GLU A 22 -7.870 2.084 7.107 1.00 0.00 O ATOM 296 CB GLU A 22 -10.205 1.587 9.172 1.00 0.00 C ATOM 297 CG GLU A 22 -11.442 1.938 8.363 1.00 0.00 C ATOM 298 CD GLU A 22 -12.695 1.265 8.890 1.00 0.00 C ATOM 299 OE1 GLU A 22 -12.952 0.106 8.505 1.00 0.00 O ATOM 300 OE2 GLU A 22 -13.417 1.899 9.688 1.00 0.00 O ATOM 0 H GLU A 22 -10.413 4.267 9.277 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.235 2.296 9.659 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.811 0.633 8.822 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.490 1.450 10.215 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.583 3.019 8.373 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.287 1.646 7.324 1.00 0.00 H new ATOM 307 N GLU A 23 -9.234 3.871 7.005 1.00 0.00 N ATOM 308 CA GLU A 23 -8.916 4.171 5.614 1.00 0.00 C ATOM 309 C GLU A 23 -7.505 4.737 5.488 1.00 0.00 C ATOM 310 O GLU A 23 -7.013 5.417 6.389 1.00 0.00 O ATOM 311 CB GLU A 23 -9.929 5.165 5.040 1.00 0.00 C ATOM 312 CG GLU A 23 -11.339 4.608 4.939 1.00 0.00 C ATOM 313 CD GLU A 23 -12.363 5.671 4.593 1.00 0.00 C ATOM 314 OE1 GLU A 23 -11.957 6.765 4.150 1.00 0.00 O ATOM 315 OE2 GLU A 23 -13.572 5.408 4.767 1.00 0.00 O ATOM 0 H GLU A 23 -9.906 4.509 7.432 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.968 3.241 5.047 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.944 6.057 5.666 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.599 5.476 4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.363 3.825 4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.610 4.142 5.886 1.00 0.00 H new ATOM 322 N LEU A 24 -6.857 4.450 4.364 1.00 0.00 N ATOM 323 CA LEU A 24 -5.501 4.928 4.118 1.00 0.00 C ATOM 324 C LEU A 24 -5.486 5.976 3.010 1.00 0.00 C ATOM 325 O LEU A 24 -6.003 5.745 1.917 1.00 0.00 O ATOM 326 CB LEU A 24 -4.587 3.760 3.744 1.00 0.00 C ATOM 327 CG LEU A 24 -3.116 3.908 4.134 1.00 0.00 C ATOM 328 CD1 LEU A 24 -2.313 2.711 3.650 1.00 0.00 C ATOM 329 CD2 LEU A 24 -2.542 5.200 3.571 1.00 0.00 C ATOM 0 H LEU A 24 -7.249 3.888 3.608 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.133 5.390 5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.977 2.856 4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.643 3.612 2.666 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.051 3.948 5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.269 2.834 3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.709 1.801 4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.385 2.639 2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.494 5.288 3.859 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.620 5.190 2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.100 6.049 3.967 1.00 0.00 H new ATOM 341 N ASP A 25 -4.889 7.127 3.299 1.00 0.00 N ATOM 342 CA ASP A 25 -4.803 8.209 2.326 1.00 0.00 C ATOM 343 C ASP A 25 -3.865 7.838 1.181 1.00 0.00 C ATOM 344 O ASP A 25 -2.802 7.255 1.399 1.00 0.00 O ATOM 345 CB ASP A 25 -4.319 9.494 3.001 1.00 0.00 C ATOM 346 CG ASP A 25 -4.851 10.740 2.322 1.00 0.00 C ATOM 347 OD1 ASP A 25 -4.576 10.923 1.117 1.00 0.00 O ATOM 348 OD2 ASP A 25 -5.542 11.533 2.995 1.00 0.00 O ATOM 0 H ASP A 25 -4.457 7.335 4.200 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.799 8.375 1.917 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.631 9.492 4.046 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.229 9.517 2.993 1.00 0.00 H new ATOM 353 N LEU A 26 -4.266 8.177 -0.039 1.00 0.00 N ATOM 354 CA LEU A 26 -3.462 7.879 -1.219 1.00 0.00 C ATOM 355 C LEU A 26 -3.085 9.158 -1.959 1.00 0.00 C ATOM 356 O LEU A 26 -3.836 10.133 -1.955 1.00 0.00 O ATOM 357 CB LEU A 26 -4.225 6.941 -2.156 1.00 0.00 C ATOM 358 CG LEU A 26 -4.983 5.794 -1.487 1.00 0.00 C ATOM 359 CD1 LEU A 26 -5.728 4.969 -2.524 1.00 0.00 C ATOM 360 CD2 LEU A 26 -4.028 4.917 -0.690 1.00 0.00 C ATOM 0 H LEU A 26 -5.143 8.658 -0.237 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.546 7.389 -0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.937 7.534 -2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.517 6.516 -2.867 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.714 6.220 -0.799 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.261 4.158 -2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.441 5.604 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.017 4.553 -3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.585 4.106 -0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.273 4.501 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.541 5.516 0.080 1.00 0.00 H new ATOM 372 N GLN A 27 -1.917 9.146 -2.594 1.00 0.00 N ATOM 373 CA GLN A 27 -1.441 10.306 -3.339 1.00 0.00 C ATOM 374 C GLN A 27 -0.990 9.904 -4.740 1.00 0.00 C ATOM 375 O GLN A 27 -0.016 9.169 -4.903 1.00 0.00 O ATOM 376 CB GLN A 27 -0.289 10.980 -2.593 1.00 0.00 C ATOM 377 CG GLN A 27 -0.742 11.833 -1.419 1.00 0.00 C ATOM 378 CD GLN A 27 -1.018 13.271 -1.814 1.00 0.00 C ATOM 379 OE1 GLN A 27 -1.616 13.536 -2.857 1.00 0.00 O ATOM 380 NE2 GLN A 27 -0.584 14.208 -0.979 1.00 0.00 N ATOM 0 H GLN A 27 -1.284 8.347 -2.607 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.266 11.012 -3.431 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.397 10.214 -2.232 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.269 11.604 -3.291 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.644 11.400 -0.987 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.024 11.814 -0.644 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.093 13.943 -0.125 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.742 15.193 -1.191 1.00 0.00 H new ATOM 389 N LYS A 28 -1.705 10.392 -5.749 1.00 0.00 N ATOM 390 CA LYS A 28 -1.378 10.086 -7.136 1.00 0.00 C ATOM 391 C LYS A 28 0.133 10.026 -7.339 1.00 0.00 C ATOM 392 O LYS A 28 0.793 11.056 -7.463 1.00 0.00 O ATOM 393 CB LYS A 28 -1.987 11.135 -8.069 1.00 0.00 C ATOM 394 CG LYS A 28 -2.298 10.607 -9.459 1.00 0.00 C ATOM 395 CD LYS A 28 -2.187 11.701 -10.508 1.00 0.00 C ATOM 396 CE LYS A 28 -1.855 11.127 -11.877 1.00 0.00 C ATOM 397 NZ LYS A 28 -2.094 12.115 -12.965 1.00 0.00 N ATOM 0 H LYS A 28 -2.515 11.001 -5.631 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.798 9.109 -7.374 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.904 11.518 -7.622 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.299 11.976 -8.155 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.612 9.796 -9.703 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.304 10.188 -9.474 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.126 12.253 -10.561 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.416 12.412 -10.213 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.812 10.812 -11.895 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.460 10.238 -12.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.856 11.686 -13.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.095 12.397 -12.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.498 12.953 -12.810 1.00 0.00 H new ATOM 411 N GLY A 29 0.673 8.811 -7.374 1.00 0.00 N ATOM 412 CA GLY A 29 2.102 8.640 -7.564 1.00 0.00 C ATOM 413 C GLY A 29 2.822 8.306 -6.272 1.00 0.00 C ATOM 414 O GLY A 29 3.967 8.711 -6.071 1.00 0.00 O ATOM 0 H GLY A 29 0.147 7.943 -7.274 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.277 7.846 -8.290 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.522 9.554 -7.985 1.00 0.00 H new ATOM 418 N GLU A 30 2.150 7.568 -5.395 1.00 0.00 N ATOM 419 CA GLU A 30 2.733 7.183 -4.115 1.00 0.00 C ATOM 420 C GLU A 30 2.915 5.670 -4.034 1.00 0.00 C ATOM 421 O GLU A 30 2.063 4.906 -4.485 1.00 0.00 O ATOM 422 CB GLU A 30 1.851 7.664 -2.962 1.00 0.00 C ATOM 423 CG GLU A 30 0.765 6.676 -2.572 1.00 0.00 C ATOM 424 CD GLU A 30 0.028 7.086 -1.312 1.00 0.00 C ATOM 425 OE1 GLU A 30 -0.044 8.302 -1.036 1.00 0.00 O ATOM 426 OE2 GLU A 30 -0.477 6.191 -0.601 1.00 0.00 O ATOM 0 H GLU A 30 1.202 7.225 -5.547 1.00 0.00 H new ATOM 0 HA GLU A 30 3.712 7.655 -4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.479 7.862 -2.093 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.387 8.610 -3.241 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.052 6.583 -3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.210 5.692 -2.424 1.00 0.00 H new ATOM 433 N GLY A 31 4.033 5.244 -3.454 1.00 0.00 N ATOM 434 CA GLY A 31 4.308 3.825 -3.324 1.00 0.00 C ATOM 435 C GLY A 31 3.699 3.229 -2.070 1.00 0.00 C ATOM 436 O GLY A 31 3.993 3.671 -0.959 1.00 0.00 O ATOM 0 H GLY A 31 4.753 5.857 -3.072 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.919 3.301 -4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.386 3.667 -3.311 1.00 0.00 H new ATOM 440 N ILE A 32 2.846 2.226 -2.248 1.00 0.00 N ATOM 441 CA ILE A 32 2.194 1.569 -1.122 1.00 0.00 C ATOM 442 C ILE A 32 2.644 0.118 -0.996 1.00 0.00 C ATOM 443 O ILE A 32 2.905 -0.551 -1.996 1.00 0.00 O ATOM 444 CB ILE A 32 0.661 1.610 -1.257 1.00 0.00 C ATOM 445 CG1 ILE A 32 0.164 3.058 -1.250 1.00 0.00 C ATOM 446 CG2 ILE A 32 0.008 0.815 -0.137 1.00 0.00 C ATOM 447 CD1 ILE A 32 -1.143 3.252 -1.986 1.00 0.00 C ATOM 0 H ILE A 32 2.590 1.851 -3.161 1.00 0.00 H new ATOM 0 HA ILE A 32 2.486 2.116 -0.226 1.00 0.00 H new ATOM 0 HB ILE A 32 0.384 1.155 -2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.043 3.387 -0.218 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.924 3.697 -1.701 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.076 0.854 -0.247 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.340 -0.222 -0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.291 1.242 0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.434 4.301 -1.940 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.022 2.954 -3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.916 2.640 -1.522 1.00 0.00 H new ATOM 459 N ARG A 33 2.730 -0.364 0.240 1.00 0.00 N ATOM 460 CA ARG A 33 3.147 -1.737 0.497 1.00 0.00 C ATOM 461 C ARG A 33 1.988 -2.563 1.048 1.00 0.00 C ATOM 462 O ARG A 33 1.644 -2.461 2.225 1.00 0.00 O ATOM 463 CB ARG A 33 4.318 -1.761 1.482 1.00 0.00 C ATOM 464 CG ARG A 33 5.226 -2.969 1.320 1.00 0.00 C ATOM 465 CD ARG A 33 6.288 -3.018 2.407 1.00 0.00 C ATOM 466 NE ARG A 33 7.400 -3.892 2.046 1.00 0.00 N ATOM 467 CZ ARG A 33 8.301 -3.590 1.117 1.00 0.00 C ATOM 468 NH1 ARG A 33 8.221 -2.442 0.460 1.00 0.00 N ATOM 469 NH2 ARG A 33 9.285 -4.438 0.845 1.00 0.00 N ATOM 0 H ARG A 33 2.516 0.176 1.079 1.00 0.00 H new ATOM 0 HA ARG A 33 3.467 -2.176 -0.448 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.908 -0.854 1.354 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.926 -1.745 2.499 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.629 -3.881 1.352 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.706 -2.936 0.342 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.663 -2.012 2.593 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.839 -3.367 3.337 1.00 0.00 H new ATOM 0 HE ARG A 33 7.490 -4.783 2.534 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.466 -1.788 0.667 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.914 -2.213 -0.253 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.350 -5.322 1.349 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.976 -4.205 0.132 1.00 0.00 H new ATOM 483 N VAL A 34 1.391 -3.382 0.188 1.00 0.00 N ATOM 484 CA VAL A 34 0.271 -4.226 0.588 1.00 0.00 C ATOM 485 C VAL A 34 0.709 -5.273 1.606 1.00 0.00 C ATOM 486 O VAL A 34 1.583 -6.095 1.331 1.00 0.00 O ATOM 487 CB VAL A 34 -0.357 -4.937 -0.626 1.00 0.00 C ATOM 488 CG1 VAL A 34 -1.214 -6.109 -0.173 1.00 0.00 C ATOM 489 CG2 VAL A 34 -1.174 -3.956 -1.453 1.00 0.00 C ATOM 0 H VAL A 34 1.664 -3.479 -0.790 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.473 -3.571 1.041 1.00 0.00 H new ATOM 0 HB VAL A 34 0.445 -5.326 -1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.649 -6.599 -1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.596 -6.822 0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.011 -5.747 0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.610 -4.475 -2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.970 -3.536 -0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.528 -3.153 -1.808 1.00 0.00 H new ATOM 499 N LEU A 35 0.094 -5.237 2.783 1.00 0.00 N ATOM 500 CA LEU A 35 0.420 -6.184 3.845 1.00 0.00 C ATOM 501 C LEU A 35 -0.647 -7.269 3.952 1.00 0.00 C ATOM 502 O LEU A 35 -0.404 -8.429 3.622 1.00 0.00 O ATOM 503 CB LEU A 35 0.558 -5.454 5.182 1.00 0.00 C ATOM 504 CG LEU A 35 1.140 -4.042 5.118 1.00 0.00 C ATOM 505 CD1 LEU A 35 0.582 -3.183 6.242 1.00 0.00 C ATOM 506 CD2 LEU A 35 2.660 -4.088 5.184 1.00 0.00 C ATOM 0 H LEU A 35 -0.632 -4.563 3.026 1.00 0.00 H new ATOM 0 HA LEU A 35 1.370 -6.657 3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.427 -5.399 5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.187 -6.055 5.838 1.00 0.00 H new ATOM 0 HG LEU A 35 0.851 -3.593 4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.008 -2.181 6.180 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.502 -3.123 6.150 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.840 -3.628 7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.057 -3.074 5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.970 -4.556 6.118 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.043 -4.667 4.344 1.00 0.00 H new ATOM 518 N GLY A 36 -1.832 -6.883 4.416 1.00 0.00 N ATOM 519 CA GLY A 36 -2.919 -7.833 4.557 1.00 0.00 C ATOM 520 C GLY A 36 -3.972 -7.675 3.477 1.00 0.00 C ATOM 521 O GLY A 36 -3.915 -6.742 2.677 1.00 0.00 O ATOM 0 H GLY A 36 -2.058 -5.929 4.697 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.518 -8.846 4.524 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.384 -7.706 5.535 1.00 0.00 H new ATOM 525 N LYS A 37 -4.935 -8.590 3.454 1.00 0.00 N ATOM 526 CA LYS A 37 -6.006 -8.549 2.465 1.00 0.00 C ATOM 527 C LYS A 37 -7.370 -8.475 3.142 1.00 0.00 C ATOM 528 O LYS A 37 -7.844 -9.458 3.713 1.00 0.00 O ATOM 529 CB LYS A 37 -5.940 -9.782 1.560 1.00 0.00 C ATOM 530 CG LYS A 37 -7.050 -9.837 0.526 1.00 0.00 C ATOM 531 CD LYS A 37 -7.136 -11.206 -0.128 1.00 0.00 C ATOM 532 CE LYS A 37 -7.860 -11.142 -1.464 1.00 0.00 C ATOM 533 NZ LYS A 37 -7.043 -10.458 -2.505 1.00 0.00 N ATOM 0 H LYS A 37 -4.996 -9.369 4.109 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.872 -7.653 1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.977 -9.796 1.049 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.986 -10.679 2.178 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.002 -9.599 1.000 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.875 -9.079 -0.237 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.132 -11.603 -0.276 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.657 -11.896 0.536 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.100 -12.152 -1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.806 -10.614 -1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.612 -9.716 -2.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.205 -10.030 -2.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.741 -11.150 -3.220 1.00 0.00 H new ATOM 547 N TYR A 38 -7.996 -7.306 3.075 1.00 0.00 N ATOM 548 CA TYR A 38 -9.306 -7.104 3.683 1.00 0.00 C ATOM 549 C TYR A 38 -10.347 -8.026 3.054 1.00 0.00 C ATOM 550 O TYR A 38 -10.884 -8.914 3.714 1.00 0.00 O ATOM 551 CB TYR A 38 -9.743 -5.646 3.532 1.00 0.00 C ATOM 552 CG TYR A 38 -10.659 -5.171 4.637 1.00 0.00 C ATOM 553 CD1 TYR A 38 -10.195 -5.028 5.938 1.00 0.00 C ATOM 554 CD2 TYR A 38 -11.990 -4.866 4.379 1.00 0.00 C ATOM 555 CE1 TYR A 38 -11.029 -4.595 6.951 1.00 0.00 C ATOM 556 CE2 TYR A 38 -12.831 -4.431 5.385 1.00 0.00 C ATOM 557 CZ TYR A 38 -12.346 -4.297 6.669 1.00 0.00 C ATOM 558 OH TYR A 38 -13.180 -3.865 7.675 1.00 0.00 O ATOM 0 H TYR A 38 -7.618 -6.483 2.606 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.227 -7.345 4.743 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.858 -5.011 3.507 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.249 -5.525 2.574 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.164 -5.259 6.162 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -12.374 -4.971 3.375 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -10.652 -4.490 7.958 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -13.863 -4.197 5.167 1.00 0.00 H new ATOM 0 HH TYR A 38 -14.074 -3.697 7.310 1.00 0.00 H new ATOM 568 N GLN A 39 -10.624 -7.806 1.773 1.00 0.00 N ATOM 569 CA GLN A 39 -11.600 -8.617 1.054 1.00 0.00 C ATOM 570 C GLN A 39 -11.635 -8.243 -0.425 1.00 0.00 C ATOM 571 O GLN A 39 -10.902 -7.359 -0.869 1.00 0.00 O ATOM 572 CB GLN A 39 -12.990 -8.444 1.668 1.00 0.00 C ATOM 573 CG GLN A 39 -13.518 -7.020 1.588 1.00 0.00 C ATOM 574 CD GLN A 39 -13.999 -6.653 0.199 1.00 0.00 C ATOM 575 OE1 GLN A 39 -13.259 -6.065 -0.592 1.00 0.00 O ATOM 576 NE2 GLN A 39 -15.244 -6.998 -0.108 1.00 0.00 N ATOM 0 H GLN A 39 -10.187 -7.074 1.212 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.300 -9.661 1.139 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.688 -9.110 1.161 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.957 -8.752 2.713 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -14.338 -6.901 2.296 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.732 -6.328 1.891 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.822 -7.484 0.577 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.622 -6.777 -1.029 1.00 0.00 H new ATOM 585 N ASP A 40 -12.490 -8.921 -1.181 1.00 0.00 N ATOM 586 CA ASP A 40 -12.621 -8.660 -2.610 1.00 0.00 C ATOM 587 C ASP A 40 -12.985 -7.201 -2.865 1.00 0.00 C ATOM 588 O ASP A 40 -14.137 -6.800 -2.704 1.00 0.00 O ATOM 589 CB ASP A 40 -13.680 -9.577 -3.223 1.00 0.00 C ATOM 590 CG ASP A 40 -13.135 -10.953 -3.551 1.00 0.00 C ATOM 591 OD1 ASP A 40 -11.950 -11.047 -3.932 1.00 0.00 O ATOM 592 OD2 ASP A 40 -13.894 -11.937 -3.425 1.00 0.00 O ATOM 0 H ASP A 40 -13.103 -9.656 -0.829 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.659 -8.863 -3.081 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.516 -9.676 -2.530 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.072 -9.119 -4.131 1.00 0.00 H new ATOM 597 N GLY A 41 -11.993 -6.409 -3.262 1.00 0.00 N ATOM 598 CA GLY A 41 -12.228 -5.003 -3.530 1.00 0.00 C ATOM 599 C GLY A 41 -11.526 -4.097 -2.539 1.00 0.00 C ATOM 600 O GLY A 41 -11.396 -2.895 -2.770 1.00 0.00 O ATOM 0 H GLY A 41 -11.031 -6.717 -3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.887 -4.767 -4.538 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.300 -4.805 -3.502 1.00 0.00 H new ATOM 604 N TRP A 42 -11.073 -4.674 -1.431 1.00 0.00 N ATOM 605 CA TRP A 42 -10.381 -3.910 -0.400 1.00 0.00 C ATOM 606 C TRP A 42 -9.146 -4.655 0.094 1.00 0.00 C ATOM 607 O TRP A 42 -9.202 -5.854 0.371 1.00 0.00 O ATOM 608 CB TRP A 42 -11.323 -3.626 0.772 1.00 0.00 C ATOM 609 CG TRP A 42 -12.460 -2.718 0.414 1.00 0.00 C ATOM 610 CD1 TRP A 42 -13.728 -3.089 0.069 1.00 0.00 C ATOM 611 CD2 TRP A 42 -12.430 -1.287 0.362 1.00 0.00 C ATOM 612 NE1 TRP A 42 -14.489 -1.975 -0.193 1.00 0.00 N ATOM 613 CE2 TRP A 42 -13.716 -0.857 -0.019 1.00 0.00 C ATOM 614 CE3 TRP A 42 -11.444 -0.327 0.604 1.00 0.00 C ATOM 615 CZ2 TRP A 42 -14.038 0.490 -0.165 1.00 0.00 C ATOM 616 CZ3 TRP A 42 -11.764 1.009 0.458 1.00 0.00 C ATOM 617 CH2 TRP A 42 -13.052 1.408 0.078 1.00 0.00 C ATOM 0 H TRP A 42 -11.173 -5.668 -1.224 1.00 0.00 H new ATOM 0 HA TRP A 42 -10.061 -2.964 -0.838 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.724 -4.569 1.143 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.753 -3.179 1.587 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -14.081 -4.108 0.011 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -15.470 -1.980 -0.472 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.449 -0.624 0.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -15.030 0.799 -0.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.008 1.759 0.640 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.271 2.460 -0.025 1.00 0.00 H new ATOM 628 N LEU A 43 -8.032 -3.939 0.202 1.00 0.00 N ATOM 629 CA LEU A 43 -6.782 -4.534 0.663 1.00 0.00 C ATOM 630 C LEU A 43 -6.118 -3.655 1.718 1.00 0.00 C ATOM 631 O LEU A 43 -6.383 -2.455 1.799 1.00 0.00 O ATOM 632 CB LEU A 43 -5.830 -4.744 -0.515 1.00 0.00 C ATOM 633 CG LEU A 43 -6.434 -5.396 -1.759 1.00 0.00 C ATOM 634 CD1 LEU A 43 -5.475 -5.294 -2.935 1.00 0.00 C ATOM 635 CD2 LEU A 43 -6.786 -6.850 -1.481 1.00 0.00 C ATOM 0 H LEU A 43 -7.969 -2.946 -0.023 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.012 -5.500 1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.418 -3.776 -0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.995 -5.358 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.350 -4.863 -2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.922 -5.764 -3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.272 -4.245 -3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.542 -5.801 -2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.215 -7.298 -2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.885 -7.395 -1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.511 -6.900 -0.668 1.00 0.00 H new ATOM 647 N LYS A 44 -5.252 -4.260 2.524 1.00 0.00 N ATOM 648 CA LYS A 44 -4.546 -3.533 3.573 1.00 0.00 C ATOM 649 C LYS A 44 -3.080 -3.333 3.203 1.00 0.00 C ATOM 650 O LYS A 44 -2.385 -4.282 2.843 1.00 0.00 O ATOM 651 CB LYS A 44 -4.650 -4.286 4.902 1.00 0.00 C ATOM 652 CG LYS A 44 -3.769 -3.710 5.997 1.00 0.00 C ATOM 653 CD LYS A 44 -4.173 -4.227 7.367 1.00 0.00 C ATOM 654 CE LYS A 44 -3.841 -3.225 8.462 1.00 0.00 C ATOM 655 NZ LYS A 44 -4.327 -3.678 9.795 1.00 0.00 N ATOM 0 H LYS A 44 -5.022 -5.252 2.471 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.013 -2.554 3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.687 -4.273 5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.380 -5.330 4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.728 -3.969 5.802 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.835 -2.622 5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.243 -4.437 7.377 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.662 -5.169 7.567 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.762 -3.074 8.501 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.289 -2.261 8.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.081 -2.968 10.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.360 -3.798 9.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.880 -4.585 10.038 1.00 0.00 H new ATOM 669 N GLY A 45 -2.615 -2.090 3.297 1.00 0.00 N ATOM 670 CA GLY A 45 -1.234 -1.788 2.970 1.00 0.00 C ATOM 671 C GLY A 45 -0.714 -0.576 3.716 1.00 0.00 C ATOM 672 O GLY A 45 -1.490 0.195 4.282 1.00 0.00 O ATOM 0 H GLY A 45 -3.170 -1.288 3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.611 -2.651 3.206 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.147 -1.615 1.897 1.00 0.00 H new ATOM 676 N LEU A 46 0.604 -0.407 3.720 1.00 0.00 N ATOM 677 CA LEU A 46 1.229 0.720 4.404 1.00 0.00 C ATOM 678 C LEU A 46 1.825 1.703 3.402 1.00 0.00 C ATOM 679 O LEU A 46 2.853 1.427 2.783 1.00 0.00 O ATOM 680 CB LEU A 46 2.316 0.224 5.358 1.00 0.00 C ATOM 681 CG LEU A 46 3.215 1.299 5.970 1.00 0.00 C ATOM 682 CD1 LEU A 46 4.362 1.635 5.028 1.00 0.00 C ATOM 683 CD2 LEU A 46 2.407 2.547 6.296 1.00 0.00 C ATOM 0 H LEU A 46 1.260 -1.036 3.257 1.00 0.00 H new ATOM 0 HA LEU A 46 0.460 1.237 4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.837 -0.325 6.169 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.946 -0.485 4.821 1.00 0.00 H new ATOM 0 HG LEU A 46 3.635 0.910 6.897 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.991 2.402 5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.956 0.740 4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.961 2.005 4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.063 3.302 6.731 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.958 2.939 5.383 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.621 2.296 7.008 1.00 0.00 H new ATOM 695 N SER A 47 1.175 2.852 3.249 1.00 0.00 N ATOM 696 CA SER A 47 1.640 3.876 2.321 1.00 0.00 C ATOM 697 C SER A 47 3.082 4.271 2.625 1.00 0.00 C ATOM 698 O SER A 47 3.347 5.025 3.562 1.00 0.00 O ATOM 699 CB SER A 47 0.736 5.108 2.393 1.00 0.00 C ATOM 700 OG SER A 47 1.096 6.063 1.409 1.00 0.00 O ATOM 0 H SER A 47 0.325 3.097 3.756 1.00 0.00 H new ATOM 0 HA SER A 47 1.600 3.463 1.313 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.303 4.809 2.252 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.807 5.557 3.384 1.00 0.00 H new ATOM 0 HG SER A 47 0.298 6.335 0.910 1.00 0.00 H new ATOM 706 N LEU A 48 4.011 3.755 1.827 1.00 0.00 N ATOM 707 CA LEU A 48 5.427 4.052 2.010 1.00 0.00 C ATOM 708 C LEU A 48 5.685 5.552 1.915 1.00 0.00 C ATOM 709 O LEU A 48 6.755 6.034 2.289 1.00 0.00 O ATOM 710 CB LEU A 48 6.263 3.312 0.964 1.00 0.00 C ATOM 711 CG LEU A 48 6.019 1.806 0.853 1.00 0.00 C ATOM 712 CD1 LEU A 48 6.286 1.326 -0.565 1.00 0.00 C ATOM 713 CD2 LEU A 48 6.889 1.051 1.847 1.00 0.00 C ATOM 0 H LEU A 48 3.809 3.129 1.047 1.00 0.00 H new ATOM 0 HA LEU A 48 5.718 3.714 3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.073 3.763 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.317 3.473 1.190 1.00 0.00 H new ATOM 0 HG LEU A 48 4.974 1.607 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.107 0.252 -0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.621 1.844 -1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.322 1.537 -0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.703 -0.019 1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.939 1.256 1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.649 1.375 2.860 1.00 0.00 H new ATOM 725 N LEU A 49 4.698 6.287 1.415 1.00 0.00 N ATOM 726 CA LEU A 49 4.816 7.734 1.273 1.00 0.00 C ATOM 727 C LEU A 49 4.530 8.436 2.596 1.00 0.00 C ATOM 728 O LEU A 49 5.438 8.959 3.244 1.00 0.00 O ATOM 729 CB LEU A 49 3.856 8.240 0.195 1.00 0.00 C ATOM 730 CG LEU A 49 3.823 9.755 -0.016 1.00 0.00 C ATOM 731 CD1 LEU A 49 3.473 10.085 -1.458 1.00 0.00 C ATOM 732 CD2 LEU A 49 2.830 10.404 0.938 1.00 0.00 C ATOM 0 H LEU A 49 3.806 5.904 1.101 1.00 0.00 H new ATOM 0 HA LEU A 49 5.839 7.963 0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.121 7.767 -0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.849 7.906 0.447 1.00 0.00 H new ATOM 0 HG LEU A 49 4.815 10.154 0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.454 11.167 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.221 9.652 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.493 9.673 -1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.819 11.482 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.834 10.000 0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.125 10.196 1.967 1.00 0.00 H new ATOM 744 N THR A 50 3.262 8.443 2.994 1.00 0.00 N ATOM 745 CA THR A 50 2.855 9.080 4.240 1.00 0.00 C ATOM 746 C THR A 50 3.333 8.281 5.447 1.00 0.00 C ATOM 747 O THR A 50 3.733 8.850 6.462 1.00 0.00 O ATOM 748 CB THR A 50 1.325 9.238 4.317 1.00 0.00 C ATOM 749 OG1 THR A 50 0.685 8.046 3.849 1.00 0.00 O ATOM 750 CG2 THR A 50 0.862 10.428 3.489 1.00 0.00 C ATOM 0 H THR A 50 2.499 8.014 2.471 1.00 0.00 H new ATOM 0 HA THR A 50 3.316 10.068 4.255 1.00 0.00 H new ATOM 0 HB THR A 50 1.051 9.411 5.358 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.288 8.154 3.903 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.222 10.520 3.558 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.328 11.338 3.867 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.148 10.280 2.448 1.00 0.00 H new ATOM 758 N GLY A 51 3.290 6.957 5.330 1.00 0.00 N ATOM 759 CA GLY A 51 3.722 6.101 6.420 1.00 0.00 C ATOM 760 C GLY A 51 2.569 5.646 7.292 1.00 0.00 C ATOM 761 O GLY A 51 2.761 5.314 8.462 1.00 0.00 O ATOM 0 H GLY A 51 2.964 6.462 4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.232 5.228 6.012 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.448 6.636 7.033 1.00 0.00 H new ATOM 765 N ARG A 52 1.368 5.632 6.723 1.00 0.00 N ATOM 766 CA ARG A 52 0.180 5.217 7.458 1.00 0.00 C ATOM 767 C ARG A 52 -0.321 3.864 6.962 1.00 0.00 C ATOM 768 O ARG A 52 -0.027 3.453 5.839 1.00 0.00 O ATOM 769 CB ARG A 52 -0.926 6.265 7.315 1.00 0.00 C ATOM 770 CG ARG A 52 -0.439 7.693 7.501 1.00 0.00 C ATOM 771 CD ARG A 52 -0.055 7.968 8.946 1.00 0.00 C ATOM 772 NE ARG A 52 -1.210 7.911 9.839 1.00 0.00 N ATOM 773 CZ ARG A 52 -1.206 8.393 11.077 1.00 0.00 C ATOM 774 NH1 ARG A 52 -0.114 8.964 11.566 1.00 0.00 N ATOM 775 NH2 ARG A 52 -2.296 8.304 11.828 1.00 0.00 N ATOM 0 H ARG A 52 1.192 5.903 5.756 1.00 0.00 H new ATOM 0 HA ARG A 52 0.449 5.123 8.510 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.379 6.170 6.328 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.708 6.058 8.046 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.420 7.872 6.855 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.220 8.388 7.193 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.689 7.240 9.268 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.410 8.951 9.017 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.066 7.478 9.493 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.726 9.034 10.991 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.114 9.333 12.517 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.138 7.865 11.455 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.292 8.674 12.778 1.00 0.00 H new ATOM 789 N THR A 53 -1.080 3.173 7.808 1.00 0.00 N ATOM 790 CA THR A 53 -1.620 1.866 7.457 1.00 0.00 C ATOM 791 C THR A 53 -3.144 1.873 7.493 1.00 0.00 C ATOM 792 O THR A 53 -3.749 2.199 8.513 1.00 0.00 O ATOM 793 CB THR A 53 -1.100 0.770 8.407 1.00 0.00 C ATOM 794 OG1 THR A 53 0.233 1.079 8.829 1.00 0.00 O ATOM 795 CG2 THR A 53 -1.119 -0.590 7.726 1.00 0.00 C ATOM 0 H THR A 53 -1.334 3.498 8.741 1.00 0.00 H new ATOM 0 HA THR A 53 -1.284 1.647 6.443 1.00 0.00 H new ATOM 0 HB THR A 53 -1.756 0.733 9.276 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.555 0.378 9.434 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.748 -1.348 8.416 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.140 -0.836 7.432 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.483 -0.563 6.841 1.00 0.00 H new ATOM 803 N GLY A 54 -3.759 1.510 6.372 1.00 0.00 N ATOM 804 CA GLY A 54 -5.209 1.481 6.297 1.00 0.00 C ATOM 805 C GLY A 54 -5.715 0.554 5.210 1.00 0.00 C ATOM 806 O GLY A 54 -4.952 -0.236 4.654 1.00 0.00 O ATOM 0 H GLY A 54 -3.280 1.235 5.514 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.613 1.163 7.258 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.580 2.489 6.112 1.00 0.00 H new ATOM 810 N ILE A 55 -7.005 0.651 4.906 1.00 0.00 N ATOM 811 CA ILE A 55 -7.611 -0.186 3.878 1.00 0.00 C ATOM 812 C ILE A 55 -7.967 0.633 2.642 1.00 0.00 C ATOM 813 O ILE A 55 -8.713 1.609 2.724 1.00 0.00 O ATOM 814 CB ILE A 55 -8.880 -0.887 4.399 1.00 0.00 C ATOM 815 CG1 ILE A 55 -9.816 0.129 5.057 1.00 0.00 C ATOM 816 CG2 ILE A 55 -8.511 -1.989 5.380 1.00 0.00 C ATOM 817 CD1 ILE A 55 -11.139 -0.462 5.493 1.00 0.00 C ATOM 0 H ILE A 55 -7.650 1.300 5.356 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.873 -0.942 3.610 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.401 -1.339 3.555 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.317 0.562 5.924 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -10.004 0.944 4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.418 -2.475 5.739 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.879 -2.724 4.881 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.971 -1.559 6.224 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.751 0.315 5.951 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.659 -0.870 4.626 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.961 -1.257 6.217 1.00 0.00 H new ATOM 829 N PHE A 56 -7.430 0.228 1.496 1.00 0.00 N ATOM 830 CA PHE A 56 -7.692 0.924 0.241 1.00 0.00 C ATOM 831 C PHE A 56 -8.265 -0.032 -0.801 1.00 0.00 C ATOM 832 O PHE A 56 -8.067 -1.246 -0.744 1.00 0.00 O ATOM 833 CB PHE A 56 -6.407 1.563 -0.289 1.00 0.00 C ATOM 834 CG PHE A 56 -5.214 0.652 -0.229 1.00 0.00 C ATOM 835 CD1 PHE A 56 -5.106 -0.427 -1.091 1.00 0.00 C ATOM 836 CD2 PHE A 56 -4.202 0.875 0.690 1.00 0.00 C ATOM 837 CE1 PHE A 56 -4.010 -1.267 -1.039 1.00 0.00 C ATOM 838 CE2 PHE A 56 -3.103 0.038 0.747 1.00 0.00 C ATOM 839 CZ PHE A 56 -3.007 -1.035 -0.117 1.00 0.00 C ATOM 0 H PHE A 56 -6.811 -0.578 1.410 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.426 1.706 0.434 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.565 1.874 -1.322 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.195 2.464 0.286 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.888 -0.614 -1.812 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.272 1.712 1.369 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.937 -2.104 -1.718 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.320 0.223 1.467 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.150 -1.691 -0.072 1.00 0.00 H new ATOM 849 N PRO A 57 -8.994 0.528 -1.778 1.00 0.00 N ATOM 850 CA PRO A 57 -9.612 -0.256 -2.852 1.00 0.00 C ATOM 851 C PRO A 57 -8.581 -0.830 -3.818 1.00 0.00 C ATOM 852 O PRO A 57 -7.715 -0.111 -4.317 1.00 0.00 O ATOM 853 CB PRO A 57 -10.504 0.763 -3.567 1.00 0.00 C ATOM 854 CG PRO A 57 -9.873 2.083 -3.283 1.00 0.00 C ATOM 855 CD PRO A 57 -9.272 1.968 -1.909 1.00 0.00 C ATOM 0 HA PRO A 57 -10.152 -1.120 -2.466 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -10.548 0.568 -4.638 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.527 0.725 -3.193 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -9.109 2.318 -4.024 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -10.611 2.884 -3.320 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -8.363 2.563 -1.817 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -9.960 2.316 -1.139 1.00 0.00 H new ATOM 863 N SER A 58 -8.679 -2.130 -4.077 1.00 0.00 N ATOM 864 CA SER A 58 -7.752 -2.802 -4.980 1.00 0.00 C ATOM 865 C SER A 58 -7.722 -2.111 -6.340 1.00 0.00 C ATOM 866 O SER A 58 -6.695 -2.097 -7.019 1.00 0.00 O ATOM 867 CB SER A 58 -8.147 -4.270 -5.150 1.00 0.00 C ATOM 868 OG SER A 58 -9.242 -4.404 -6.039 1.00 0.00 O ATOM 0 H SER A 58 -9.391 -2.739 -3.674 1.00 0.00 H new ATOM 0 HA SER A 58 -6.755 -2.750 -4.543 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.296 -4.837 -5.528 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.408 -4.694 -4.180 1.00 0.00 H new ATOM 0 HG SER A 58 -9.474 -5.352 -6.132 1.00 0.00 H new ATOM 874 N ASP A 59 -8.855 -1.538 -6.730 1.00 0.00 N ATOM 875 CA ASP A 59 -8.960 -0.843 -8.008 1.00 0.00 C ATOM 876 C ASP A 59 -8.010 0.349 -8.058 1.00 0.00 C ATOM 877 O ASP A 59 -7.639 0.815 -9.136 1.00 0.00 O ATOM 878 CB ASP A 59 -10.398 -0.377 -8.243 1.00 0.00 C ATOM 879 CG ASP A 59 -11.408 -1.489 -8.039 1.00 0.00 C ATOM 880 OD1 ASP A 59 -11.469 -2.036 -6.918 1.00 0.00 O ATOM 881 OD2 ASP A 59 -12.137 -1.812 -9.000 1.00 0.00 O ATOM 0 H ASP A 59 -9.714 -1.541 -6.180 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.680 -1.541 -8.797 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.626 0.445 -7.565 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.490 0.012 -9.257 1.00 0.00 H new ATOM 886 N TYR A 60 -7.622 0.839 -6.886 1.00 0.00 N ATOM 887 CA TYR A 60 -6.719 1.980 -6.796 1.00 0.00 C ATOM 888 C TYR A 60 -5.263 1.523 -6.787 1.00 0.00 C ATOM 889 O TYR A 60 -4.358 2.288 -7.121 1.00 0.00 O ATOM 890 CB TYR A 60 -7.017 2.795 -5.536 1.00 0.00 C ATOM 891 CG TYR A 60 -8.185 3.742 -5.690 1.00 0.00 C ATOM 892 CD1 TYR A 60 -9.423 3.285 -6.124 1.00 0.00 C ATOM 893 CD2 TYR A 60 -8.051 5.095 -5.399 1.00 0.00 C ATOM 894 CE1 TYR A 60 -10.493 4.147 -6.267 1.00 0.00 C ATOM 895 CE2 TYR A 60 -9.116 5.964 -5.537 1.00 0.00 C ATOM 896 CZ TYR A 60 -10.335 5.486 -5.972 1.00 0.00 C ATOM 897 OH TYR A 60 -11.398 6.347 -6.111 1.00 0.00 O ATOM 0 H TYR A 60 -7.919 0.464 -5.985 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.879 2.607 -7.673 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.220 2.112 -4.711 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.130 3.367 -5.265 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -9.551 2.238 -6.354 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.098 5.473 -5.059 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -11.448 3.775 -6.608 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -8.995 7.012 -5.306 1.00 0.00 H new ATOM 0 HH TYR A 60 -11.120 7.253 -5.862 1.00 0.00 H new ATOM 907 N VAL A 61 -5.046 0.269 -6.404 1.00 0.00 N ATOM 908 CA VAL A 61 -3.702 -0.293 -6.353 1.00 0.00 C ATOM 909 C VAL A 61 -3.501 -1.339 -7.444 1.00 0.00 C ATOM 910 O VAL A 61 -4.466 -1.899 -7.965 1.00 0.00 O ATOM 911 CB VAL A 61 -3.413 -0.934 -4.983 1.00 0.00 C ATOM 912 CG1 VAL A 61 -3.275 0.137 -3.911 1.00 0.00 C ATOM 913 CG2 VAL A 61 -4.506 -1.927 -4.618 1.00 0.00 C ATOM 0 H VAL A 61 -5.784 -0.377 -6.124 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.008 0.532 -6.513 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.469 -1.475 -5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.071 -0.335 -2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.454 0.806 -4.169 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.201 0.708 -3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.285 -2.370 -3.647 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.465 -1.412 -4.572 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.552 -2.712 -5.373 1.00 0.00 H new ATOM 923 N ILE A 62 -2.243 -1.598 -7.784 1.00 0.00 N ATOM 924 CA ILE A 62 -1.917 -2.579 -8.811 1.00 0.00 C ATOM 925 C ILE A 62 -0.532 -3.175 -8.582 1.00 0.00 C ATOM 926 O ILE A 62 0.431 -2.471 -8.278 1.00 0.00 O ATOM 927 CB ILE A 62 -1.970 -1.958 -10.219 1.00 0.00 C ATOM 928 CG1 ILE A 62 -2.212 -3.043 -11.271 1.00 0.00 C ATOM 929 CG2 ILE A 62 -0.681 -1.205 -10.515 1.00 0.00 C ATOM 930 CD1 ILE A 62 -2.404 -2.498 -12.668 1.00 0.00 C ATOM 0 H ILE A 62 -1.433 -1.142 -7.363 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.665 -3.369 -8.743 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.799 -1.251 -10.256 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.367 -3.732 -11.271 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.093 -3.620 -10.990 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.734 -0.772 -11.514 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.547 -0.410 -9.781 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.163 -1.893 -10.462 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.571 -3.323 -13.361 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.266 -1.832 -12.683 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.514 -1.946 -12.969 1.00 0.00 H new ATOM 942 N PRO A 63 -0.427 -4.503 -8.733 1.00 0.00 N ATOM 943 CA PRO A 63 0.836 -5.224 -8.550 1.00 0.00 C ATOM 944 C PRO A 63 1.842 -4.920 -9.655 1.00 0.00 C ATOM 945 O PRO A 63 1.735 -5.441 -10.766 1.00 0.00 O ATOM 946 CB PRO A 63 0.416 -6.695 -8.598 1.00 0.00 C ATOM 947 CG PRO A 63 -0.840 -6.704 -9.398 1.00 0.00 C ATOM 948 CD PRO A 63 -1.534 -5.405 -9.095 1.00 0.00 C ATOM 0 HA PRO A 63 1.337 -4.940 -7.624 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.186 -7.312 -9.062 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.250 -7.092 -7.597 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.624 -6.792 -10.463 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.468 -7.554 -9.129 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.088 -5.035 -9.957 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.249 -5.512 -8.279 1.00 0.00 H new ATOM 956 N VAL A 64 2.820 -4.075 -9.343 1.00 0.00 N ATOM 957 CA VAL A 64 3.846 -3.704 -10.310 1.00 0.00 C ATOM 958 C VAL A 64 4.862 -4.826 -10.491 1.00 0.00 C ATOM 959 O VAL A 64 5.191 -5.539 -9.543 1.00 0.00 O ATOM 960 CB VAL A 64 4.585 -2.422 -9.880 1.00 0.00 C ATOM 961 CG1 VAL A 64 3.623 -1.246 -9.824 1.00 0.00 C ATOM 962 CG2 VAL A 64 5.269 -2.627 -8.537 1.00 0.00 C ATOM 0 H VAL A 64 2.923 -3.635 -8.429 1.00 0.00 H new ATOM 0 HA VAL A 64 3.338 -3.522 -11.257 1.00 0.00 H new ATOM 0 HB VAL A 64 5.352 -2.198 -10.622 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.162 -0.349 -9.519 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.184 -1.088 -10.809 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.832 -1.457 -9.104 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.786 -1.712 -8.249 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.522 -2.875 -7.783 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.989 -3.441 -8.616 1.00 0.00 H new ATOM 972 N SER A 65 5.357 -4.978 -11.716 1.00 0.00 N ATOM 973 CA SER A 65 6.334 -6.016 -12.023 1.00 0.00 C ATOM 974 C SER A 65 7.501 -5.970 -11.042 1.00 0.00 C ATOM 975 O SER A 65 8.147 -4.936 -10.876 1.00 0.00 O ATOM 976 CB SER A 65 6.849 -5.853 -13.454 1.00 0.00 C ATOM 977 OG SER A 65 7.864 -6.799 -13.741 1.00 0.00 O ATOM 0 H SER A 65 5.097 -4.395 -12.512 1.00 0.00 H new ATOM 0 HA SER A 65 5.841 -6.984 -11.930 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.025 -5.975 -14.157 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.238 -4.844 -13.591 1.00 0.00 H new ATOM 0 HG SER A 65 8.175 -6.675 -14.662 1.00 0.00 H new ATOM 983 N GLY A 66 7.766 -7.100 -10.393 1.00 0.00 N ATOM 984 CA GLY A 66 8.855 -7.169 -9.437 1.00 0.00 C ATOM 985 C GLY A 66 9.994 -8.045 -9.917 1.00 0.00 C ATOM 986 O GLY A 66 10.148 -8.301 -11.112 1.00 0.00 O ATOM 0 H GLY A 66 7.245 -7.969 -10.513 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.230 -6.164 -9.245 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.479 -7.555 -8.490 1.00 0.00 H new ATOM 990 N PRO A 67 10.820 -8.520 -8.973 1.00 0.00 N ATOM 991 CA PRO A 67 11.967 -9.379 -9.283 1.00 0.00 C ATOM 992 C PRO A 67 11.542 -10.767 -9.748 1.00 0.00 C ATOM 993 O PRO A 67 12.336 -11.508 -10.327 1.00 0.00 O ATOM 994 CB PRO A 67 12.715 -9.467 -7.950 1.00 0.00 C ATOM 995 CG PRO A 67 11.673 -9.220 -6.914 1.00 0.00 C ATOM 996 CD PRO A 67 10.697 -8.255 -7.529 1.00 0.00 C ATOM 0 HA PRO A 67 12.568 -8.978 -10.099 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.179 -10.445 -7.820 1.00 0.00 H new ATOM 0 HB3 PRO A 67 13.513 -8.726 -7.894 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.177 -10.148 -6.630 1.00 0.00 H new ATOM 0 HG3 PRO A 67 12.114 -8.804 -6.008 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.681 -8.429 -7.173 1.00 0.00 H new ATOM 0 HD3 PRO A 67 10.947 -7.222 -7.287 1.00 0.00 H new ATOM 1004 N SER A 68 10.285 -11.114 -9.491 1.00 0.00 N ATOM 1005 CA SER A 68 9.756 -12.415 -9.881 1.00 0.00 C ATOM 1006 C SER A 68 9.230 -12.381 -11.313 1.00 0.00 C ATOM 1007 O SER A 68 8.385 -11.555 -11.656 1.00 0.00 O ATOM 1008 CB SER A 68 8.640 -12.843 -8.926 1.00 0.00 C ATOM 1009 OG SER A 68 7.413 -12.218 -9.263 1.00 0.00 O ATOM 0 H SER A 68 9.614 -10.512 -9.014 1.00 0.00 H new ATOM 0 HA SER A 68 10.568 -13.140 -9.828 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.522 -13.926 -8.962 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.914 -12.586 -7.903 1.00 0.00 H new ATOM 0 HG SER A 68 7.559 -11.587 -9.998 1.00 0.00 H new ATOM 1015 N SER A 69 9.737 -13.286 -12.144 1.00 0.00 N ATOM 1016 CA SER A 69 9.323 -13.358 -13.540 1.00 0.00 C ATOM 1017 C SER A 69 8.159 -14.329 -13.712 1.00 0.00 C ATOM 1018 O SER A 69 7.193 -14.040 -14.416 1.00 0.00 O ATOM 1019 CB SER A 69 10.497 -13.790 -14.421 1.00 0.00 C ATOM 1020 OG SER A 69 10.188 -13.633 -15.795 1.00 0.00 O ATOM 0 H SER A 69 10.435 -13.979 -11.875 1.00 0.00 H new ATOM 0 HA SER A 69 8.994 -12.365 -13.847 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.379 -13.199 -14.173 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.745 -14.832 -14.217 1.00 0.00 H new ATOM 0 HG SER A 69 10.955 -13.914 -16.337 1.00 0.00 H new ATOM 1026 N GLY A 70 8.259 -15.485 -13.062 1.00 0.00 N ATOM 1027 CA GLY A 70 7.209 -16.482 -13.154 1.00 0.00 C ATOM 1028 C GLY A 70 7.428 -17.644 -12.206 1.00 0.00 C ATOM 1029 O GLY A 70 6.806 -18.697 -12.350 1.00 0.00 O ATOM 0 H GLY A 70 9.049 -15.748 -12.473 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.249 -16.015 -12.936 1.00 0.00 H new ATOM 0 HA3 GLY A 70 7.156 -16.856 -14.176 1.00 0.00 H new TER 1033 GLY A 70